Condition_ID	Name	Old_names	Concentration	Collection	Subcollection	Screened	In_final_dataset	In_high_confidence_set	Percent Growth	SMILES	InChI	Formula	MW	H-bond acceptors	H-bond donors	Topological polar surface area	Rings	Rotatable bonds	Lipinski failures	ALogP	Crippen logP	Mannhold logP	XLogP	AMR (molar refractivity)	Crippen MR (molar refractivity)	McGowan volume	Van der Waals volume
Cond-000001	(+)-Camphorquinone	(+)-Camphorquinone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.1875771288	CC1(C)C2CCC1(C)C(=O)C2=O	InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3	C10H14O2	166.217	2	0	34.14	2	0	0	0.832099999999999	1.81459	2.34	1.205	45.3781	47.869	1.3318	169.110923557389
Cond-000002	(+)-cis-Diltiazem hydrochloride	(+)-cis-Diltiazem hydrocholoride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.524733812	Cl.COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(=O)C	InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1	C22H27ClN2O4S	450.979	6	0	84.38	3	7	0	-0.1437	3.78838	3.11	3.64	64.7034	117.384	3.1365	384.770526037247
Cond-000003	(+/-)-SKF-38393 hydrochloride	(+/-)-SKF-38393 hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.1740282235	Cl.Oc1c(O)cc2C(CNCCc2c1)c1ccccc1	InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H	C16H18ClNO2	291.773	3	3	52.49	3	1	0	-1.0965	2.72929	2.89	4.001	25.8783	76.1225	1.9964	239.181298016756
Cond-000004	(+/-)-Sulpiride	(+/-)-Sulpiride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.8509348413	CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N	InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	C15H23N3O4S	341.426	7	3	110.11	2	7	0	-1.8604	0.477090000000002	2.23	0.282	57.4329	84.5781	2.5306	308.497687368346
Cond-000005	(+/-)-Vesamicol hydrochloride	(+/-)-Vesamicol hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	70.314330837	O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1	InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	C17H25NO	259.387	2	1	23.47	3	2	0	-2.5588	3.1695	3.11	4.929	41.9552	78.2528000000001	2.2076	266.496432044462
Cond-000006	(+/-)Amethopterin	(+/-)Amethopterin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.4594816948	[C@H](CCC(=O)O)(NC(=O)c1ccc(cc1)N(C)Cc1nc2c(N)nc(N)nc2nc1)C(=O)O	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1	C20H22N8O5	454.439	13	7	210.54	3	10	1	-2.8974	1.37836	2.23	-2.583	54.4148	123.8716	3.2197	387.630944575074
Cond-000007	(-)-Bicuculline methobromide	(-)-Bicuculline methobromide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	108.472172988	[C@@H]1(OC(=O)c2c3OCOc3ccc12)[C@H]1c2cc3c(OCO3)cc2CCN1(C)(C)Br	InChI=1S/C21H20BrNO6/c1-23(2,22)6-5-11-7-15-16(27-9-26-15)8-13(11)18(23)19-12-3-4-14-20(28-10-25-14)17(12)21(24)29-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/t18-,19+/m1/s1	C21H20BrNO6	462.291	7	0	63.22	6	1	0	NA	0.91517	2.89	NA	NA	82.7965	3.5743	NA
Cond-000008	(-)-Cotinine	(-)-Cotinine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.3735289622	CN1C(CCC1=O)c1cnccc1	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3	C10H12N2O	176.215	3	0	33.2	2	1	0	-0.836100000000001	1.26769	2.23	0.746	23.9969	51.447	1.3867	166.141299871561
Cond-000009	(-)-Ouabain	(-)-Ouabain	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.361031519	[C@@H]1(CCC2(O)C3CCC4(O)C[C@H](C[C@@H](O)C4(CO)[C@H]3[C@H](O)CC12C)OC1OC(C)C(O)C(O)C1O)C1=CC(=O)OC1	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15-,16+,17?,18+,19+,21+,22?,23?,24?,25?,26?,27?,28?,29?/m0/s1	C29H44O12	584.652	12	8	206.6	6	4	2	-4.1486	-1.35492	3.33	-0.808	136.8965	141.5714	4.1615	536.211063651269
Cond-000010	(-)-Ouabain	Ouinbane	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.361031519	[C@@H]1(CCC2(O)C3CCC4(O)C[C@H](C[C@@H](O)C4(CO)[C@H]3[C@H](O)CC12C)OC1OC(C)C(O)C(O)C1O)C1=CC(=O)OC1	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15-,16+,17?,18+,19+,21+,22?,23?,24?,25?,26?,27?,28?,29?/m0/s1	C29H44O12	584.652	12	8	206.6	6	4	2	-4.1486	-1.35492	3.33	-0.808	136.8965	141.5714	4.1615	536.211063651269
Cond-000011	(R)-(-)-Epinephrine	(R)-(-)-Epinephrine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	109.495113182	CNC[C@H](O)c1cc(O)c(O)cc1	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	C9H13NO3	183.204	4	4	72.72	1	3	0	-1.7378	0.38009	2.01	-0.07	24.8006	50.2993	1.415	170.42192584025
Cond-000012	(S)-(-)-Propranolol hydrochloride	(S)-(-)-Propranolol hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	45.9116613174	CC(C)NCC(O)COc1cccc2c1cccc2	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	C16H21NO2	259.343	3	2	41.49	2	6	0	-1.0098	3.07829	2.89	4.053	35.5013	80.6495000000001	2.148	254.174215418356
Cond-000013	1-Aminoanthraquinone	1-Aminoanthraquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8457654349	Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1	InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2	C14H9NO2	223.227	3	2	60.16	3	0	0	-1.2775	2.01259	2.67	2.622	14.9141	67.1829	1.6286	199.316411363423
Cond-000014	1400W	1400W	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2296356938	CC(=N)NCc1cc(CN)ccc1	InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	C10H15N3	177.246	3	4	61.9	1	4	0	-1.1934	0.55049	2.23	1.777	27.7695	54.5478	1.5364	180.704292079967
Cond-000015	17alpha-Estradiol	17alpha-Estradiol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	107.844229503	[C@@H]1(O)CC[C@H]2C3CCc4c(ccc(O)c4)[C@H]3CCC12C	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15?,16+,17-,18?/m1/s1	C18H24O2	272.382	2	2	40.46	4	0	0	-0.4699	3.97979000000001	3.22	4.646	52.5961	81.1498000000001	2.1988	269.229424461923
Cond-000016	2'-Hydroxyflavanone	2'-Hydroxyflavanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.3196215549	Oc1c(cccc1)C1CC(=O)c2c(O1)cccc2	InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2	C15H12O3	240.254	3	1	46.53	3	1	0	-0.8938	3.15129	2.78	3.245	17.4768	71.794	1.7714	217.042321182484
Cond-000017	3-Hydroxy-DL-kynurenine	3-Hydroxy-DL-kynurenine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3692495797	NC(CC(=O)c1c(N)c(O)ccc1)C(=O)O	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)	C10H12N2O4	224.213	6	6	126.64	1	4	0	-2.586	0.56358	1.9	-2.464	31.4461	62.7401	1.6284	202.231979973245
Cond-000018	3-Hydroxyflavone	3-Hydroxyflavone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2990905598	Oc1c(oc2ccccc2c1=O)c1ccccc1	InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H	C15H10O3	238.238	3	1	46.53	3	1	1	-0.96	3.47497	2.78	5.648	18.2169	71.4118	1.7284	214.405862481684
Cond-000019	3beta-Cholestanol	3beta-Cholestanol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.678733032	CC(C)CCC[C@@H](C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1	C27H48O	388.669	1	1	20.23	4	5	1	1.6185	7.46860000000001	4.32	11.783	112.5035	119.0768	3.5372	434.912435496565
Cond-000020	4,4'-Dithiodimorpholine	4,4'-Dithiodimorpholine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	10.8275564358	C1CN(CCO1)SSN1CCOCC1	InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2	C8H16N2O2S2	236.355	4	0	75.54	2	3	0	0.992200000000001	-0.2666	1.68	-0.1	62.3188	54.509	1.6626	198.803440238789
Cond-000021	5-Bromo-2'-deoxyuridine	5-Bromo-2'-deoxyuridine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	85.9238881247	OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O	InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	C9H11BrN2O5	307.098	7	3	99.1	2	2	0	-1.6714	-0.59722	1.57	-0.763	56.324	61.7313	1.6986	216.826299726306
Cond-000022	5-Fluorocytosine	5-Fluorocytosine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	16.6069932201	Nc1nc(=O)[nH]cc1F	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)	C4H4FN3O	129.092	4	3	67.48	1	0	0	-1.3826	-0.70043	1.35	-0.835	25.6293	32.7441	0.8104	105.322628576434
Cond-000023	5-Methoxytryptamine	5-Methoxytryptamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.817770465	COc1cc2c([nH]cc2CCN)cc1	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	C11H14N2O	190.242	3	3	51.04	2	3	0	-0.954899999999999	1.69659	2.34	1.066	24.0019	60.1024	1.5276	172.537284497428
Cond-000024	6-Azauridine	6-Azauridine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	49.263844312	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O	InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1	C8H11N3O6	245.189	9	4	131.69	2	2	0	-1.7673	-2.80311	1.35	-1.948	49.8182	54.8731	1.5412	200.0336830316
Cond-000025	7-Nitroindazole	7-Nitroindazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4580433893	O=N(=O)c1cccc2c1[nH]nc2	InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	C7H5N3O2	163.134	5	1	71.82	2	1	0	0.2397	1.41009	1.68	2.783	7.19	46.163	1.0795	120.503874201889
Cond-000026	ACID RED 1	ACID RED 1	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.9123817359	[Na+].[Na+].CC(=O)Nc1cc(cc2c1c(O)c(/N=N/c1ccccc1)c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b21-20+;;	C18H13N3Na2O8S2	509.421	11	2	205.21	3	6	0	-3.5238	4.28676	2.01	1.642	32.7137	99.5978	2.942	361.44390249939
Cond-000027	ADR	ADR	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.1875240169	[C@@H]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]1C[C@@](O)(Cc2c(O)c3c(C(=O)c4c(OC)cccc4C3=O)c(O)c12)C(=O)CO	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	C27H29NO11	543.519	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-000028	AMPSO	AMPSO	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.1036610448	CC(C)(CO)NCC(O)CS(=O)(=O)O	InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)	C7H17NO5S	227.279	6	4	115.24	0	6	0	-1.304	-0.3236	1.46	-1.792	50.6511	51.6341	1.6517	203.085268850439
Cond-000029	AZT	AZT	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	77.4457634056	Cc1cn([C@H]2C[C@@H](N=[N+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,11,16H,2,4H2,1H3/p+1/t6-,7-,8-/m1/s1	C10H14N5O4+	268.249	9	3	115.08	2	3	0	-3.796	-0.37165	1.57	-0.325	55.4138	63.5412	1.8407	235.084031247345
Cond-000030	Abietic acid	Abietic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	59.5158191367	CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(=O)O)C2CC1	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16?,17?,19-,20+/m1/s1	C20H30O2	302.451	2	1	37.3	3	2	1	1.3773	5.29247000000001	3.44	6.113	90.3137	92.2388000000001	2.5892	327.077852414457
Cond-000031	Acebutolol hydrochloride	Acebutolol hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.9099136158	Cl.CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C	InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H	C18H29ClN2O4	372.887	6	3	87.66	1	11	1	-2.1004	3.70027	2.78	1.747	67.0727	100.1717	2.7556	340.59985698018
Cond-000032	Acemetacin	Acemetacin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	97.0074043603	COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)OCC(=O)O	InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)	C21H18ClNO6	415.824	7	1	94.83	3	8	0	-0.000700000000000811	3.8292	2.89	3.461	48.7276	109.8933	2.8861	354.587360915568
Cond-000033	Aces	Aces	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.2542163719	NC(=O)CNCCS(=O)(=O)O	InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)	C4H10N2O4S	182.198	6	4	117.87	0	5	0	-1.7753	-0.73621	1.13	-2.634	35.6473	41.7669	1.2271	150.767389779645
Cond-000034	Acesulfame K	Acesulfame K	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	107.054236086	CC1=CC(=NS(=O)(=O)O1)O	InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)	C4H5NO4S	163.152	5	1	84.34	1	0	0	-0.7668	0.56178	1.24	-0.93	33.5719	29.2518	0.9757	124.777712169878
Cond-000035	Acetazolamide	Acetazolamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.735088441	CC(=O)Nc1nnc(s1)S(=O)(=O)N	InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	C4H6N4O3S2	222.245	7	3	151.66	1	3	0	-0.9708	0.33507	0.91	-1.528	31.801	44.7001	1.3369	153.950331450617
Cond-000036	Acetohexamide	Acetohexamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	105.545146098	CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)	C15H20N2O4S	324.395	6	2	100.72	2	6	0	-2.7972	2.32168	2.34	2.984	47.3105	80.7229	2.3878	294.864468459379
Cond-000037	Achromycin	Achromycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.6227744332	[C@@H]12CC3C(=C(O)[C@]1(O)C(=O)C(=C(O)[C@H]2N(C)C)C(=O)N)C(=O)c1c(cccc1O)[C@@]3(C)O	InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,15-,21+,22-/m0/s1	C22H24N2O8	444.435	10	7	181.62	4	2	1	-3.366	-0.46923	2.78	0.13	86.5042	111.4659	3.0992	399.965950081091
Cond-000038	Acivicin	Acivicin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	80.3636271298	NC(C1CC(=NO1)Cl)C(=O)O	InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)	C5H7ClN2O3	178.574	5	3	84.91	1	2	0	-0.7962	0.12308	1.35	-2.381	36.6653	43.7902	1.1166	140.982274016183
Cond-000039	Aclacinomycin A	Aclacinomycin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	55.7715923045	CC[C@@]1(O)C[C@H](O[C@H]2CC([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(cc3C(=O)c4c(c(O)ccc4)C(=O)c3c2O)[C@H]1C(=O)OC	InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24?,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1	C42H53NO15	811.868	16	4	217.05	7	10	1	-4.5275	3.84638000000001	4.32	1.171	149.0982	208.7966	5.81650000000002	743.178175790182
Cond-000040	Acriflavine	Acriflavine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	24.0522079175	[Cl-].C[n+]1c2cc(N)ccc2cc2c1cc(N)cc2	InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H	C14H14ClN3	259.734	3	4	55.92	3	0	0	-2.8414	4.29048	2.67	2.301	14.1409	75.1138	1.7753	196.784166429834
Cond-000041	Actidione	Actidione	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	14.0280301064	[C@H]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1	InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	C15H23NO4	281.347	5	2	83.47	2	3	0	-1.1054	1.27539	2.56	0.758	71.2863	75.7995	2.2105	281.531601595212
Cond-000042	Actinomycin C3	Actinomycin C3	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O=C1N2C(CCC2)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC(C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC(C(=O)N6C(CCC6)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC5C)C)C)C(CC)C)ccc(c4oc3c(c(=O)c2N)C)C)C(=O)NC1C(CC)C)C)C)C	InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)	C64H90N12O16	1283.47	28	6	355.54	7	12	2	-8.3078	1.18888000000001	5.42	4.402	294.0293	337.1707	9.68580000000003	1240.61629824245
Cond-000043	Actinomycin D	Actinomycin D	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	105.494505495	CC(C)C1NC(=O)C(NC(=O)c2c3nc4c(oc3c(C)cc2)c(C)c(=O)c(N)c4C(=O)NC2C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(NC2=O)C(C)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-000044	Alendronate	Alendronate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.8247886036	NCCCC(O)(P(=O)(O)O)P(=O)(O)O	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)	C4H13NO7P2	249.096	8	7	180.93	0	5	1	-2.4572	-2.566	0.8	-4.298	42.843	38.8724	1.5921	189.923251132361
Cond-000045	Alizarin red S	Alizarin red S	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.8770696419	[Na+].Oc1c(O)c2c(cc1S(=O)(=O)[O-])C(=O)c1c(cccc1)C2=O	InChI=1S/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1	C14H7NaO7S	342.256	7	2	140.18	3	1	0	-2.6675	1.05949	2.12	1.661	24.4628	67.203	1.9643	249.461579365262
Cond-000046	Allopurinol	Allopurinol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.617048831	Oc1ncnc2c1cn[nH]2	InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4O	136.111	5	2	74.69	2	0	0	-0.8807	0.35238	1.46	-0.252	5.8646	37.241	0.8818	90.7548971585614
Cond-000047	Alloxan Monohydrate	Alloxan Monohydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.281861811	O=C1NC(=O)C(=O)C(=O)N1	InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)	C4H2N2O4	142.07	6	2	92.34	1	0	0	-1.1385	-2.48051	1.24	-0.966	25.1716	29.5424	0.826	111.992530918845
Cond-000048	Alverine	Alverine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	N(CCCc1ccccc1)(CCCc1ccccc1)CC	InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3	C20H27N	281.435	1	0	3.24	2	9	1	-0.062099999999999	4.57390000000001	3.55	9	37.8669	91.6400000000001	2.5512	303.141241819901
Cond-000049	Amikacin	Amikacin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	102.546913486	NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O	InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1	C22H43N5O13	585.603	18	17	331.94	3	11	3	-9.0223	-8.19031	1.9	-6.562	125.1334	134.6687	4.10170000000001	518.619033814797
Cond-000050	Amiloride monohydrochloride dihydrate	Amiloride monohydrochloride dihydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.1449038068	NC(=N)NC(=O)c1nc(Cl)c(N)nc1N	InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)	C6H8ClN7O	229.627	8	8	156.79	1	3	0	-1.5591	-1.11394	1.13	-1.016	30.6876	58.2686	1.5101	176.872230179361
Cond-000051	Aminoguanidine HCl	Aminoguanidine, HCl	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	97.2574703234	NNC(=N)N	InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)	CH6N4	74.0851	4	6	87.92	0	1	0	-1.065	-1.65941	1.13	-1.075	16.4838	20.7232	0.6057	67.2030254585335
Cond-000052	Aminopterin	Aminopterin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	82.9079423302	Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)cnc2n1	InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m1/s1	C19H20N8O5	440.413	13	8	219.33	3	10	2	-3.4333	1.35406	2.12	-2.822	49.1201	119.0913	3.0788	370.334959949208
Cond-000053	Amiodarone hydrochloride	Amiodarone hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.394902011	Cl.CCCCc1c(C(=O)c2cc(I)c(OCCN(CC)CC)c(I)c2)c2c(o1)cccc2	InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H	C25H30ClI2NO3	681.773	4	0	42.68	3	11	2	2.7409	6.77597000000001	3.55	7.777	84.9537	148.336	3.7536	438.01607228905
Cond-000054	Amitriptyline hydrochloride	Amitriptyline hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.6152631311	CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2	InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3	C20H23N	277.403	1	0	3.24	3	3	1	0.338399999999999	3.93118	3.55	8.275	40.7445	89.2140000000001	2.3996	288.148324418301
Cond-000055	Amoxapine	Amoxapine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.092143151	N1CCN(CC1)C1=Nc2c(Oc3c1cc(Cl)cc3)cccc2	InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2	C17H16ClN3O	313.781	4	1	36.86	4	1	0	-0.2604	3.82768	2.78	4.069	38.0821	91.4837	2.249	269.898726727229
Cond-000056	Amoxicillin	Amoxicillin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.247759072	[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)O	InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	C16H19N3O5S	365.404	8	5	158.26	3	5	0	-1.874	-0.0835100000000008	2.23	-1.892	63.5964	93.1587	2.5356	316.954522592373
Cond-000057	Amphotericin B	Amphotericin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.491213855	CC1O[C@@H](O[C@@H]2CC(O)C(C(O)CC(=O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/2)C(=O)O)[C@H](O)C(N)[C@@H]1O	InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-33(51)22-32(50)23-37(54)36(53)20-19-31(49)21-34(52)25-40(57)63-29(3)28(2)43(27)58/h5-18,27-32,34-39,41-45,47,49-50,52-56,58-60H,19-26,48H2,1-4H3,(H,61,62)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30?,31?,32?,34?,35-,36?,37?,38?,39?,41?,42?,43?,44+,45+,47-/m0/s1	C47H73NO17	924.079	18	13	327.45	2	3	2	-4.6655	0.271520000000013	4.65	1.648	235.6368	239.535199999999	7.18140000000003	930.820845824636
Cond-000058	Anisomycin	Anisomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	10.3095401336	COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(=O)C)cc1	InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1	C14H19NO4	265.305	5	2	67.79	2	5	0	-1.0909	0.73599	2.45	1.665	44.6678	73.2925	2.0266	250.699158268545
Cond-000059	Antibiotic A201A	Antibiotic A201A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	85.6872037915	COC1C(C)OC(OC/C(=C\2/OC(Oc3ccc(/C=C(\C)/C(=O)NC4C(CO)OC(C4O)n4cnc5c4ncnc5N(C)C)cc3)C(O)C2O)/OC)C(O)C1OC	InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-	C37H50N6O14	802.825	20	6	250.93	6	15	3	-3.1253	0.104950000000008	3.33	0.289999999999999	146.5081	202.6357	5.66090000000002	704.34828570192
Cond-000060	Antimycin A3	Antimycin A3	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	32.9872892085	CCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O	InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)	C26H36N2O9	520.572	11	3	157.33	2	12	1	-2.0839	3.53418000000001	3.11	4.932	101.6013	135.9917	3.9387	502.65303268672
Cond-000061	Apigenin	Apigenin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.91813311	Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	C15H10O5	270.237	5	3	86.99	3	1	0	-1.8845	2.70607	2.56	1.567	24.2301	74.8344	1.8458	231.986315882806
Cond-000062	Apomorphine hydrochloride hemihydrate	Apomorphine hydrochloride hemihydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.5423098477	[C@@H]12Cc3c(c(O)c(O)cc3)c3c1c(CCN2C)ccc3	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	C17H17NO2	267.322	3	2	43.7	4	0	0	-0.5259	2.92779	3	3.149	31.1512	80.5118	2.0287	244.120823941823
Cond-000063	Argininosuccinic acid disodium salt	Argininosuccinic acid disodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.0299047328	N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O	InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1	C10H18N4O6	290.273	10	8	185.83	0	11	2	-2.7826	-1.54574	1.46	-3.436	58.8099	70.6299	2.097	267.6988711923
Cond-000064	Aristolochic acid	Aristolochic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	42.9492427343	COc1cc(O)cc2c1cc(c1c2c2c(OCO2)cc1C(=O)O)N(=O)=O	InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)	C17H11NO8	357.271	9	2	128.36	4	3	0	-0.3945	3.37048	2.34	1.616	28.4618	96.3636	2.2519	278.05280804279
Cond-000065	Arphamenine A	Arphamenine A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.2607449857	N[C@@H](CCCNC(=N)N)C(=O)C[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C16H24N4O3/c17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20)/t12-,13+/m1/s1	C16H24N4O3	320.387	7	7	142.29	1	11	1	-2.2332	0.71356	2.45	2.646	54.7707	91.265	2.5717	316.574722743418
Cond-000066	Aspirin	Aspirin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	95.3131395825	CC(=O)Oc1c(cccc1)C(=O)O	InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	C9H8O4	180.157	4	1	63.6	1	3	0	-0.321	1.27849	2.01	2.575	18.9354	47.7318	1.2879	162.942474931045
Cond-000067	Atenolol	Atenolol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.4709868052	CC(C)NCC(O)COc1ccc(CC(=O)N)cc1	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)	C14H22N2O3	266.336	5	4	84.58	1	8	0	-1.6098	0.685990000000001	2.45	0.678	47.492	77.2239	2.1763	265.26215047695
Cond-000068	Atractyloside potassium salt	Atractyloside potassium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.353272704	[K+].[K+].[C@H]12CC[C@@]34CC(CC[C@H]3[C@]1(C)C[C@@H](C[C@H]2C(=O)O)OC1OC(CO)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1OC(=O)CC(C)C)C(=C)[C@@H]4O	InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16?,17-,18-,19-,20?,21+,23?,24?,25?,26+,28?,29-,30-;;/m1../s1	C30H44K2O16S2	802.987	16	3	272.14	5	12	2	-2.2177	1.76948000000001	2.78	-0.177	154.6959	147.9492	4.8868	632.769544493778
Cond-000069	Atropine	Atropine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.473941617	CN1C2CCC1C[C@H](C2)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	C17H23NO3	289.369	4	1	49.77	3	5	0	-1.8722	2.16479	2.89	3.538	47.6249	83.1988	2.282	281.440426744784
Cond-000070	Auramine O	Auramine O	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	80.4931478934	CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C	InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3	C17H21N3	267.369	3	1	30.33	2	4	0	0.329999999999999	3.23219	3	4.015	35.1859	88.9547000000001	2.2851	270.610349657834
Cond-000071	Azacytidine	Azacytidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	72.3393368809	Nc1nc(=O)n(cn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1	C8H12N4O5	244.205	9	5	140.97	2	2	0	-2.9436	-3.40263	1.35	-2.892	50.6896	59.5938	1.5823	202.240216539206
Cond-000072	Azlocillin sodium salt	Azlocillin sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	45.3818330022	[Na+].[C@@H]12SC(C)(C)[C@H](N1C(=O)[C@@H]2NC(=O)[C@H](NC(=O)N1CCNC1=O)c1ccccc1)C(=O)[O-]	InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12+,13-,16+;/m1./s1	C20H22N5NaO6S	483.473	11	3	176.28	4	8	1	-2.0625	-1.34771	2.34	1.605	81.3415	113.3141	3.1414	397.974602759935
Cond-000073	Azocarmine G	Azocarmine G	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	33.603341994	[Na+].[O-]S(=O)(=O)c1ccc(Nc2c(c3[n+](c4ccccc4)c4ccccc4nc3c3ccccc23)S(=O)(=O)[O-])cc1	InChI=1S/C28H19N3O6S2.Na/c32-38(33,34)20-16-14-18(15-17-20)29-26-22-11-5-4-10-21(22)25-27(28(26)39(35,36)37)31(19-8-2-1-3-9-19)24-13-7-6-12-23(24)30-25;/h1-17H,(H2,32,33,34,35,36,37);/q;+1/p-1	C28H18N3NaO6S2	579.579	9	1	160.18	6	5	1	-4.3029	7.42716	3.33	7.149	20.5832	137.743	3.71430000000001	435.189855100935
Cond-000074	Azotomycin	Duamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	35.4246189317	N[C@@H](CCC(=O)N[C@@H](CCC(=O)C1N=N1)C(=O)N[C@@H](CCC(=O)C1N=N1)C(=O)O)C(=O)O	InChI=1S/C17H23N7O8/c18-7(16(29)30)1-6-12(27)19-8(2-4-10(25)13-21-22-13)15(28)20-9(17(31)32)3-5-11(26)14-23-24-14/h7-9,13-14H,1-6,18H2,(H,19,27)(H,20,28)(H,29,30)(H,31,32)/t7-,8-,9-/m0/s1	C17H23N7O8	453.407	15	6	192.96	2	18	2	-3.9824	-2.57941	1.68	-4.281	82.9781	104.7674	3.1109	404.082745394191
Cond-000075	Bacitracin A	Bacitracin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	96.5002046664	N1[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CSC(=N2)C(N)C(C)CC)[C@@H](C)CC)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](Cc2ccccc2)C1=O	InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48?,52?,53-,54-/m0/s1	C66H103N17O16S	1422.69	33	20	556.17	4	35	3	-12.0295	-2.02791999999999	4.98	4.935	294.6739	373.7945	10.9129	1372.23400999423
Cond-000076	Bacitracin Al	Bacitracin Al	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	104.481693422	CCC[C@H](C)C1NC(=O)[C@@H](CCCN)NC(=O)C(CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC(=N1)[C@@H](N)[C@@H](C)CC)[C@@H](C)CC	InChI=1S/C66H103N17O16S/c1-9-18-37(8)53-64(98)83-54(38-19-13-12-14-20-38)65(99)79-44(28-39-31-70-33-72-39)60(94)78-46(30-50(87)88)61(95)77-45(29-48(68)84)55(89)71-26-16-15-21-40(56(90)73-41(22-17-25-67)57(91)82-53)75-63(97)52(36(7)11-3)81-58(92)42(23-24-49(85)86)74-59(93)43(27-34(4)5)76-62(96)47-32-100-66(80-47)51(69)35(6)10-2/h12-14,19-20,31,33-37,40-47,51-54H,9-11,15-18,21-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,97)(H,76,96)(H,77,95)(H,78,94)(H,79,99)(H,81,92)(H,82,91)(H,83,98)(H,85,86)(H,87,88)/t35-,36-,37-,40?,41+,42+,43-,44-,45-,46+,47-,51-,52?,53?,54+/m0/s1	C66H103N17O16S	1422.69	33	20	556.17	4	35	3	-11.8363	-1.84891999999999	4.98	4.724	294.2603	372.8825	10.9129	1372.23400999423
Cond-000077	Baclofen	Baclofen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.3473439	NCC(CC(=O)O)c1ccc(Cl)cc1	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	C10H12ClNO2	213.661	3	3	63.32	1	4	0	-0.505100000000001	2.09089	2.12	1.577	29.1212	58.7432	1.5766	191.502292835189
Cond-000078	Baicalin	Baicalin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.9974607044	O[C@H]1[C@H](Oc2c(O)c(O)c3c(=O)cc(oc3c2)c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1	C21H18O11	446.361	11	6	183.21	4	4	1	-3.5292	1.03776	2.56	1.678	56.5108	110.3973	2.8918	373.510666439774
Cond-000079	Bathophenanthroline	Bathophenanthroline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	13.0913204443	c1ccc(cc1)c1c2ccc3c(ccnc3c2ncc1)c1ccccc1	InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H	C24H16N2	332.397	2	0	25.78	5	2	1	0	6.61899	3.88	9.298	0	110.725	2.5878	295.097353523535
Cond-000080	Beclomethasone	Beclomethasone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	54.2157012583	[C@@H]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1	C22H29ClO5	408.916	5	3	94.83	4	2	0	-0.679399999999999	2.25127	3.22	1.275	106.0384	107.3924	3.0179	388.258652136708
Cond-000081	Beclomethasone dipropionate	Beclomethasone dipropionate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	57.8362813657	C1(O)CC2(C)C(CC(C)C2(OC(=O)CC)C(=O)COC(=O)CC)C2CCC3=CC(=O)C=CC3(C)C12Cl	InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3	C28H37ClO7	521.042	7	1	106.97	4	8	0	0.231200000000001	4.17307	3.66	2.832	134.3884	135.7208	3.8947	504.342095891431
Cond-000082	Bekanamycin	Bekanamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.1137858358	[C@H]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1N	InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1	C18H37N5O10	483.514	15	16	288.4	3	6	2	-7.7833	-7.325	1.79	-5.553	105.8382	109.7608	3.405	425.700873910447
Cond-000083	Bendroflumethiazide	Bendroflumethiazide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.8737145208	NS(=O)(=O)c1c(cc2NC(Cc3ccccc3)NS(=O)(=O)c2c1)C(F)(F)F	InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)	C15H14F3N3O4S2	421.415	7	4	135.12	3	4	0	-0.8075	2.9337	1.79	3.48	39.6471	85.9238	2.5526	316.680011874465
Cond-000084	Benfluorex hydrochloride	Benfluorex hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.0193416165	Cl.CC(Cc1cc(ccc1)C(F)(F)F)NCCOC(=O)c1ccccc1	InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H	C19H21ClF3NO2	387.824	3	1	38.33	2	9	1	0.673099999999999	3.71029	2.89	7.23	39.6127	91.5807000000001	2.5378	318.991928445276
Cond-000085	Benomyl	Benomyl	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	37.4853533038	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)	C14H18N4O3	290.318	7	2	85.25	2	8	0	-1.1225	3.17567	2.23	3.052	40.8662	83.6034	2.1813	258.726294790884
Cond-000086	Benzamidine	Benzamidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.013098649	NC(=N)c1ccccc1	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)	C7H8N2	120.152	2	3	49.87	1	1	0	-0.4766	0.96809	2.01	2.661	8.6986	38.9441	1.0139	117.8195779942
Cond-000087	Benzthiazide	Benzthiazide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.2854930042	NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O	InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)	C15H14ClN3O4S3	431.937	7	3	160.75	3	5	0	-0.6936	3.39558	1.9	2.862	51.1651	98.6451	2.7424	329.560968450779
Cond-000088	Benzylpenicillin	Benzylpenicillin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	98.6871841751	CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O	InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)	C16H18N2O4S	334.39	6	2	112.01	3	5	0	-0.4719	1.09469	2.45	3.123	58.0361	89.0475	2.3771	297.167535683645
Cond-000089	Berberine chloride	Berberine chloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	81.0274252968	COc1c(OC)c2c(cc1)cc1c3cc4c(OCO4)cc3CC[n+]1c2	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	C20H18NO4+	336.361	5	0	40.8	5	2	0	-1.583	4.14628	3.11	2.896	31.2677	97.516	2.3957	286.378084468546
Cond-000090	Bergapten	Bergapten	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	73.9110499771	COc1c2ccc(=O)oc2cc2c1cco2	InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3	C12H8O4	216.19	4	0	48.67	3	1	0	0.0640999999999999	2.92557	2.34	1.69	25.4701	61.677	1.4504	176.581052706245
Cond-000091	Bestatin	Bestatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.8616455178	CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O	InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	C16H24N2O4	308.373	6	5	112.65	1	9	0	-1.5585	0.766690000000001	2.56	0.902	55.076	86.3927	2.4738	306.007887728446
Cond-000092	Betamethasone	Betamethasone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	106.740264344	[C@@H]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1	C22H29FO5	392.461	5	3	94.83	4	2	0	-0.943999999999999	1.98197	3.22	1.138	101.2953	102.6474	2.9132	379.115143216581
Cond-000093	Bicinchoninic acid disodium salt	Bicinchoninc acid disodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.6517397728	[Na]OC(=O)c1cc(nc2ccccc12)c1cnc2ccccc2c1C(=O)O[Na]	InChI=1S/C20H12N2O4.2Na/c23-19(24)13-9-17(22-16-8-4-1-5-11(13)16)14-10-21-15-7-3-2-6-12(15)18(14)20(25)26;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2	C20H10N2Na2O4	388.284	6	0	78.38	4	5	0	-0.1822	3.75777	2.78	4.789	12.5834	110.8065	2.2364	NA
Cond-000094	Bicyclomycin	Bicyclomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.886127834	C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2	InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1	C12H18N2O7	302.281	9	6	148.35	1	3	1	-2.33	-3.14192	1.79	-1.082	65.5984	70.3646000000001	2.0637	267.011088027461
Cond-000095	Biochanin a	Biochanin a	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	13.0193336076	COc1ccc(cc1)c1coc2cc(O)cc(O)c2c1=O	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3	C16H12O5	284.263	5	2	75.99	3	2	0	-1.6391	3.00907	2.67	2.031	27.7503	79.7216	1.9867	249.282300508673
Cond-000096	Biperiden	Biperiden	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	108.107560642	OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1	InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2	C21H29NO	311.461	2	1	23.47	4	5	1	-2.1749	3.54749000000001	3.55	5.543	62.0064	93.0428000000001	2.6196	320.68745314633
Cond-000097	Bisbenzimide H 33258	Bisbenzimide H 33258	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.8642314942	Cl.Cl.Cl.CN1CCN(CC1)c1cc2c(cc1)nc([nH]2)c1cc2c(cc1)nc([nH]2)c1ccc(O)cc1	InChI=1S/C25H24N6O.3ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;;;/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29);3*1H	C25H27Cl3N6O	533.88	7	3	84.07	6	3	0	-1.126	4.54457000000001	3.44	3.637	39.5061	135.126	3.164	358.08706438343
Cond-000098	Blasticidin S	Blasticidin S	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	16.2198117069	CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@H](O[C@H]1C(=O)O)n1ccc(N)nc1=O)C(=N)N	InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m0/s1	C17H26N8O5	422.439	13	9	213.45	2	10	2	-3.4444	-2.57577	1.9	-1.233	98.6125	110.2474	3.0776	391.345284201474
Cond-000099	Bleomycetin	Bleomycetin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	s1c(nc(c1)c1scc(n1)C(=O)NCCCNCCCCN)CCNC(=O)C(NC(=O)C(C(O)C(NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(NCC(N)C(=O)N)CC(=O)N)C(OC1OC(C(O)C(O)C1OC1OC(C(O)C(OC(=O)N)C1O)CO)CO)c1[nH]cnc1)C)C)C(O)C	InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)	C57H89N19O21S2	1440.56	40	28	721.6	6	45	3	-12.0032	-7.86100999999999	3.11	-9.894	267.0727	353.375699999999	10.2132	1262.42028503896
Cond-000100	Bortezomib	Bortezomib	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O=C(N[C@@H](CC(C)C)B(O)O)[C@@H](NC(=O)c1nccnc1)Cc1ccccc1	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	C19H25BN4O4	384.237	8	4	124.44	2	11	1	-1.7557	0.924590000000003	2.56	3.238	48.6507	104.97	2.9976	384.60175656958
Cond-000101	Brefeldin A	Brefeldin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	57.1036794393	[C@@H]12C[C@@H](O)CC1/C=C/CCC[C@H](C)OC(=O)/C=C/[C@H]2O	InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12?,13-,14+,15+/m0/s1	C16H24O4	280.359	4	2	66.76	2	0	0	-0.704100000000001	2.04867	2.78	2.363	72.8596	78.6156	2.2516	287.830826012912
Cond-000102	Bretylium tosylate	Bretylium tosylate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.4902011016	Cc1ccc(cc1)S(=O)(=O)[O-].CC[N+](C)(C)Cc1ccc(Br)cc1	InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-5-7-11(12)8-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1	C18H24BrNO3S	414.357	1	0	0	1	3	0	0.0138000000000007	2.7059	2.45	3.004	34.6952	59.7394	1.7172	199.245063318267
Cond-000103	Brilliant blue G	Brilliant blue G	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	133.547302461	[Na+].CCOc1ccc(Nc2ccc(cc2)/C(=C/2\C=C/C(=[N+](/CC)\Cc3cccc(c3)S(=O)(=O)[O-])/C=C2C)/c2c(C)cc(cc2)N(CC)Cc2cccc(c2)S(=O)(=O)[O-])cc1	InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1	C47H48N3NaO7S2	854.02	10	1	158.67	6	15	2	-2.1642	9.48775999999999	5.31	9.806	106.1752	219.645999999999	6.27810000000001	772.95795488976
Cond-000104	Bromocresol purple	Bromocresol purple	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.179785012	Cc1cc(cc(Br)c1O)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(O)c(C)c1	InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3	C21H16Br2O5S	540.222	5	2	92.21	4	2	0	1.4633	5.30234	2.89	4.42	45.6264	112.177	3.0531	366.945568249141
Cond-000105	Bromocriptine mesylate	Bromocriptine mesylate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.6732895206	CS(=O)(=O)O.[C@@H]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6c5c(ccc6)C4=C3)(O[C@@]21O)C(C)C	InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1	C33H44BrN5O8S	750.7	10	3	118.21	7	6	0	-0.488500000000002	2.76208000000001	3.77	3.492	128.5241	166.7715	4.4807	550.859639737741
Cond-000106	Bromophenol blue	Bromophenol blue	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	144.971205265	Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(O)c(Br)c1	InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H	C19H10Br4O5S	669.961	5	2	92.21	4	2	1	1.9569	5.9207	2.45	5.064	51.8204	114.9266	3.1213	370.92083695254
Cond-000107	Bucetin	Bucetin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.2421633666	CCOc1ccc(NC(=O)CC(C)O)cc1	InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)	C12H17NO3	223.268	4	2	58.56	1	6	0	-0.8608	2.62868	2.34	2.031	35.4615	66.0245000000001	1.7947	219.67342101705
Cond-000108	Bumetanide	Bumetanide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.7881530234	CCCCNc1c(Oc2ccccc2)c(cc(c1)C(=O)O)S(=O)(=O)N	InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)	C17H20N2O5S	364.416	7	4	127.1	2	8	0	-2.2639	3.45768	2.45	2.926	39.7141	94.3579	2.6423	322.073747010074
Cond-000109	Butirosin A	Butirosin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.544538411	[C@H]1(O)C(CO)OC(O[C@H]2C(O)[C@@H](CC(N)[C@H]2O[C@H]2OC(CN)[C@@H](O)C(O)C2N)NC(=O)C(O)CCN)C1O	InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6?,7-,8?,9?,10?,11?,12?,13-,14+,15?,16?,17-,18+,20-,21?/m1/s1	C21H41N5O12	555.577	17	16	311.71	3	11	3	-8.5116	-7.55120999999999	1.9	-5.89	119.1709	128.6619	3.9021	492.53282248837
Cond-000110	CV-3988	CV-3988	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	15.8147329931	CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[n+]1cscc1)OC	InChI=1S/C28H53N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-28(31)35-24-27(34-2)25-37-38(32,33)36-22-20-30-21-23-39-26-30/h21,23,26-27H,3-20,22,24-25H2,1-2H3,(H-,29,31,32,33)	C28H53N2O7PS	592.768	9	1	148.08	1	29	2	-6.4634	5.15789000000001	3.33	8.265	113.0038	150.3387	4.79479999999999	583.53957820773
Cond-000111	CV-6209	CV-6209	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.594906173	CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1[n](CC)cccc1)C(=O)C)OC	InChI=1S/C34H60N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3,(H,35,39)	C34H60N3O6	606.857	9	1	94.17	1	30	1	NA	0.879439999999999	4.21	NA	NA	113.279	7.8352	NA
Cond-000112	Caffeine	Caffeine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O=c1n(c(=O)n(c2ncn(c12)C)C)C	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	C8H10N4O2	194.191	6	0	58.44	2	0	0	-0.431100000000001	0.43548	1.68	-0.625	34.8722	53.163	1.3632	162.333077736722
Cond-000113	Calcofluor White	Calcofluor White	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	S(=O)(=O)([O-])c1c(/C=C/c2c(S(=O)(=O)[O-])cc(Nc3nc(N(CCO)CCO)nc(n3)Nc3ccccc3)cc2)ccc(Nc2nc(N(CCO)CCO)nc(n2)Nc2ccccc2)c1	InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/p-2/b12-11+	C40H42N12O10S2--	914.966	22	8	344.02	6	22	3	-5.3744	7.14879999999998	3.22	3.066	94.5538	228.2943	6.34460000000001	765.009355133477
Cond-000114	Camptothecin	Camptothecin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	18.2971756038	CC[C@@]1(O)C(=O)OCc2c1cc1n(Cc3cc4c(cccc4)nc13)c2=O	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	C20H16N2O4	348.352	6	1	79.73	5	1	0	-1.587	1.96906	3	2.133	54.3602	95.6918	2.431	304.320156625513
Cond-000115	Cantharidin	Cantharidin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	47.3598035203	C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O	InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-	C10H12O4	196.2	4	0	52.6	3	0	0	-0.5011	0.87749	2.12	-0.117	41.7165	48.451	1.3406	174.334918257711
Cond-000116	Carbazochrome	Carbazochrome	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.9253954953	CN1CC(O)C2=C/C(=N/NC(=O)N)/C(=O)C=C12	InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-	C10H12N4O3	236.227	7	4	108.02	2	2	0	-1.3009	-1.94194	1.79	-0.427	59.7557	63.0929	1.6607	213.978814988217
Cond-000117	Carbenicillin	Carbenicillin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	98.3418399736	[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)O)c1ccccc1)C(=O)O	InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1	C17H18N2O6S	378.4	8	3	149.31	3	6	0	-0.891200000000001	0.72039	2.34	3.294	64.3278	95.7203000000001	2.5924	329.407515009835
Cond-000118	Carbetapentane	Carbetapentane	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	98.8707145389	CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1	InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3	C20H31NO3	333.465	4	0	38.77	2	11	2	-0.301199999999999	3.63389	3.22	5.202	67.8131	99.3970000000001	2.8133	345.684839323185
Cond-000119	Carboplatin	Carboplatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.0056880221	O=C1O[Pt]OC(=O)C21CCC2	InChI=1S/C6H8O4.Pt/c7-4(8)6(5(9)10)2-1-3-6;/h1-3H2,(H,7,8)(H,9,10);/q;+2/p-2	C6H6O4Pt	337.187	4	0	52.6	2	0	0	-0.7152	0.28679	1.57	0.98	27.8463	32.3975	0.82	NA
Cond-000120	Cathomycin	Cathomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	64.8076135898	CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	C31H36N2O11	612.624	13	6	196.1	4	10	0	0.461899999999998	3.62637000000001	3.44	3.822	106.9596	163.1432	4.4144	563.191115713174
Cond-000121	Cefalexin	Cefalexin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.081384424	[C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)O)C	InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	C16H17N3O4S	347.389	7	4	138.03	3	5	0	-1.3717	0.26388	2.34	-0.756	62.5815	90.9239	2.4339	305.527837191012
Cond-000122	Cefalotin	Cefalotin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	72.2785099413	[C@@H]1(NC(=O)Cc2cccs2)C(=O)N2C(=C(COC(=O)C)CS[C@H]12)C(=O)O	InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1	C16H16N2O6S2	396.438	8	2	166.55	3	8	0	-0.550900000000002	0.75238	2.12	0.634	78.3055	97.3135	2.615	330.620554441568
Cond-000123	Cefazolin	Cefazolin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	58.6374139814	Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cnnn2)C3=O)C(=O)O)s1	InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)	C14H14N8O4S3	454.507	12	2	234.93	4	8	1	-0.0511999999999999	-0.86341	1.35	-0.602	83.1924	101.7065	2.8265	337.044799693713
Cond-000124	Cefazolin sodium salt	Cefazolin sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.9965357379	[Na+].Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cnnn2)C3=O)C(=O)[O-])s1	InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1	C14H13N8NaO4S3	476.489	12	1	237.76	4	8	1	-0.728999999999999	-2.19811	1.35	-1.083	80.9146	99.0777	2.805	335.726570343313
Cond-000125	Cefotaxime	Cefotaxime	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	53.9651100785	[C@@H]12SCC(=C(N1C(=O)[C@@H]2NC(=O)/C(=N\OC)/c1csc(N)n1)C(=O)O)COC(=O)C	InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m0/s1	C16H17N5O7S2	455.465	12	4	227.05	3	9	0	-1.493	-0.0572300000000001	1.68	-2.57	91.8973	110.4039	2.9301	369.764603065829
Cond-000126	Cefoxitin sodium salt	Cefoxitin sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.3460695909	[Na+].[C@@H]12SCC(=C(N1C(=O)[C@@]2(NC(=O)Cc1cccs1)OC)C(=O)[O-])COC(=O)N	InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m0./s1	C16H16N3NaO7S2	449.434	10	3	204.63	3	9	0	-1.1062	-2.74832	1.9	-1.091	79.398	99.1501	2.752	349.089311999896
Cond-000127	Ceftazidime	Ceftazidime	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	102.632661456	O.O.O.O.O.[C@@H]1(NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(N)n2)C(=O)N2C(=C(C[n+]3ccccc3)CS[C@H]12)C(=O)[O-]	InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13-;;;;;/t14-,18-;;;;;/m1...../s1	C22H32N6O12S2	636.652	13	4	244.76	4	10	0	-3.2815	-0.73393	2.23	-1.747	93.194	133.5699	3.6377	453.371436225997
Cond-000128	Cellocidin	Cellocidin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.88252149	NC(=O)C#CC(=O)N	InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)	C4H4N2O2	112.087	4	4	86.18	0	0	0	-0.6792	-1.72612	1.46	-1.484	23.4464	28.7628	0.8172	106.768536218522
Cond-000129	Cephalosporin C	Cephalosporin C	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.896338684	CC(=O)OCC1=C(N2C(SC1)[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C2=O)C(=O)O	InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14?/m1/s1	C16H21N3O8S	415.418	11	5	201.63	2	11	2	-2.8643	-0.96962	1.9	-3.705	91.0994	98.7527	2.8203	366.581661394857
Cond-000130	Cephalothin sodium salt	Cephalothin sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	55.295735901	[Na+].[C@@H]1(NC(=O)Cc2cccs2)C(=O)N2C(=C(COC(=O)C)CS[C@H]12)C(=O)[O-]	InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1	C16H15N2NaO6S2	418.42	8	1	169.38	3	8	0	-1.2287	-0.582320000000001	2.12	0.153	76.0277	94.6847	2.5935	329.302325091168
Cond-000131	Cephapirin sodium salt	Cephapirin sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	24.4230475317	[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc1ccncc1)C2=O)C(=O)[O-]	InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1	C17H16N3NaO6S2	445.445	9	1	179.33	3	9	0	-1.4653	-1.26613	2.12	-0.311	76.0405	97.2747	2.7912	354.958611224401
Cond-000132	Cephradine	Cephradine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.6661970027	CC1=C(N2C(SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(=O)O	InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15?/m1/s1	C16H19N3O4S	349.405	7	4	138.03	3	5	0	-0.2481	0.36106	2.34	-2.462	91.6186	92.2239	2.4769	319.064295891812
Cond-000133	Cerulenin	Cerulenin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.0307000838	[C@H]1(O[C@@H]1C(=O)CC/C=C/C/C=C/C)C(=O)N	InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	C12H17NO3	223.268	4	2	72.69	1	7	0	0.361000000000001	1.19707	2.34	1.246	61.2883	63.3704	1.7947	230.57342101705
Cond-000134	Chenodeoxycholic acid	Chenodeoxycholic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	27.0620001019	[C@@H]12CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@H]1[C@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1	C24H40O4	392.572	4	3	77.76	4	4	1	0.106699999999992	4.71179000000001	3.66	6.178	104.1515	111.8904	3.2476	406.758703019847
Cond-000135	Chlorambucil	Chlorambucil	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.1393621109	OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl	InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)	C14H19Cl2NO2	304.212	3	1	40.54	1	9	0	1.1176	3.61179	2.45	4.292	52.5235	83.9118	2.2626	275.897299109089
Cond-000136	Chloramphenicol	Chloramphenicol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.749784777	OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)N(=O)=O	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1	C11H12Cl2N2O5	323.129	7	3	112.7	1	7	0	0.2205	0.66079	1.68	1.179	43.3689	76.9053	2.0728	258.740326840539
Cond-000137	Chlorhexidine dihydrochloride	Chlorhexidine dihydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.0550715778	Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1	InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H	C22H32Cl4N10	578.368	10	10	167.58	2	17	3	-0.495599999999999	5.37288	2.56	6.994	72.1008	143.773	3.804	456.580353682803
Cond-000138	Chlormadinone acetate	Chlormadinone acetate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.6676264912	[C@@H]12CC[C@](OC(=O)C)(C(=O)C)[C@@]1(C)CC[C@H]1[C@H]2C=C(Cl)C2=CC(=O)CC[C@]12C	InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1	C23H29ClO4	404.927	4	0	60.44	4	3	0	1.4861	4.83797	3.44	3.39	108.793	109.293	3.0571	394.127951361213
Cond-000139	Chlorogenic acid	Chlorogenic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.6269025093	O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@@H]1O)C(=O)O	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1	C16H18O9	354.309	9	6	164.75	2	5	1	-2.1962	-0.59472	2.23	-0.447	57.9778	84.6998	2.4161	312.972583413318
Cond-000140	Chlorophyllin sodium copper salt	Chlorophyllin sodium copper salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	107.31061185	CCc1c(C)c2=Cc3c(C=C)c(C)c4C=c5c(C)c(CCC(=O)O[Na])c6[n]5[Cu@@]5(n34)n3c(=Cc1[n]25)c(C)c(C(=O)O[Na])c3=C6CC(=O)O[Na]	InChI=1S/C34H32N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;;/q-2;+2;3*+1/p-3/b23-12-,26-14-,27-13-,33-22-;;;;	C34H29CuN4Na3O6	722.133	10	0	85.38	8	11	1	NA	-0.84845	3.66	NA	NA	151.3535	5.2757	NA
Cond-000141	Chlorpromazine HCl	Chlorpromazine, HCl	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	80.8636921817	CN(C)CCCN1c2c(Sc3c1cc(Cl)cc3)cccc2	InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	C17H19ClN2S	318.864	2	0	31.78	3	4	0	1.3011	5.42149	2.89	4.457	42.9345	92.618	2.4056	283.613681277701
Cond-000142	Cholecalciferol	Cholecalciferol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	15.199506376	[C@@H]1(CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1	C27H44O	384.638	1	1	20.23	3	6	1	1.7669	7.39757000000001	4.32	9.896	117.3685	120.3788	3.5168	439.359518094964
Cond-000143	Cholesterol	Cholesterol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.094965207	[C@@H]1(CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)CCCC(C)C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1	C27H46O	386.654	1	1	20.23	4	5	1	1.5548	7.31489000000001	4.32	10.518	115.1746	118.7828	3.4942	432.275976795764
Cond-000144	Cholic acid	Cholic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.904977376	[C@@H]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)C(C)CCC(=O)O	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16+,17?,18?,19+,20-,22?,23-,24+/m0/s1	C24H40O5	408.571	5	4	97.99	4	4	0	-0.466400000000001	3.68259000000001	3.55	4.093	105.2486	113.2802	3.3063	415.548929720408
Cond-000145	Chromeazurol B	Chromeazurol B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.5554536655	[Na+].[Na+].CC1=C/C(=C(/c2cc(C(=O)[O-])c(O)c(C)c2)\c2c(Cl)cccc2Cl)/C=C(C(=O)[O-])C1=O	InChI=1S/C23H16Cl2O6.2Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/b18-13+;;	C23H14Cl2Na2O6	503.239	6	1	117.56	3	4	0	0.8343	1.12468	3.11	3.287	66.1044	114.52	3.0615	396.384261627168
Cond-000146	Cimetidine	Cimetidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.023336127	CN/C(=N\C#N)/NCCSCc1c(C)[nH]cn1	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)	C10H16N6S	252.339	6	3	114.19	1	7	0	0.412199999999999	0.3793	1.79	0.985	54.5146	73.1234	1.9563	229.567138061267
Cond-000147	Cinerubin B	Cinerubin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	22.7874383597	[C@@H]1(C[C@@H]2O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@@H]2[C@H](C)O1)O[C@@H]1[C@H](C)O[C@H](C[C@@H]1N(C)C)O[C@H]1C[C@](O)(CC)[C@H](C(=O)OC)c2c1c(O)c1C(=O)c3c(c(O)ccc3O)C(=O)c1c2	InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1	C42H51NO16	825.851	17	4	226.28	8	8	1	-4.444	3.56838000000001	4.21	0.196	151.2036	208.4986	5.76660000000002	739.611943789943
Cond-000148	Cisplatin	Cisplatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	77.7322963569	N.N.[Cl]=[Pt]=[Cl]	InChI=1S/2Cl.2H3N.Pt/h;;2*1H3;	Cl2H6N2Pt	300.045	2	0	0	0	0	0	NA	-6.9557	0.91	NA	NA	4.268	0.5756	NA
Cond-000149	Clarithromycin	Clarithromycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.6139254971	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(C2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1	C38H69NO13	747.953	14	4	182.91	3	8	1	-2.0536	2.67359000000001	4.1	1.66	186.232	194.2912	5.91390000000002	748.731288295192
Cond-000150	Clebopride maleate salt	Clebopride maleate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.79835957	OC(=O)/C=C\C(=O)O.COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1	InChI=1S/C20H24ClN3O2.C4H4O4/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28ClN3O6	489.949	5	3	67.59	3	6	0	-1.2706	2.95409	3	3.749	50.8507	106.8891	2.839	342.933366006191
Cond-000151	Clobetasol propionate	Clobetasol propionate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.7700534759	CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl	InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17?,18?,19-,22-,23-,24-,25-/m0/s1	C25H32ClFO5	466.97	5	1	80.67	4	5	0	0.715899999999996	4.18937	3.44	2.976	118.5213	120.4458	3.4153	443.577706163814
Cond-000152	Clofibrate	Clofibrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.8634874686	CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1	InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3	C12H15ClO3	242.699	3	0	35.53	1	5	0	1.4459	3.79518	2.34	3.21	37.2849	68.096	1.8173	223.887728579317
Cond-000153	Clonidine	Clonidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	107.317567225	Clc1cccc(Cl)c1NC1=NCCN1	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	C9H9Cl2N3	230.094	3	2	36.42	2	2	0	0.8181	2.86228	1.9	2.396	31.6685	61.4474	1.5317	181.473984294167
Cond-000154	Clotrimazole	Clotrimazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.9956324116	Clc1c(cccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	C22H17ClN2	344.837	2	0	17.82	4	4	1	0.4726	5.1385	3.55	8.559	10.8166	100.351	2.623	304.245828144635
Cond-000155	Clozapine	Clozapine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.8114512617	CN1CCN(CC1)C1=Nc2c(Nc3c1cccc3)ccc(Cl)c2	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	C18H19ClN4	326.823	4	1	30.87	4	1	0	0.00919999999999976	4.22048	2.89	4.323	45.0577	97.5017	2.431	289.401244860701
Cond-000156	Coenzyme B12	Coenzyme B12	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.392276733	CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)C2N=C1/C(=C/1\N=C(/C=C/3\N=C(/C(=C\4/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N4[Co+]CC2O[C@@H]([C@@H](O)[C@H]2O)n2cnc4c2ncnc4N)/C)[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)C(C)(C)[C@@H]1CCC(=O)N)/C)OP(=O)([O-])OC1[C@@H](CO)O[C@@H](C1O)n1cnc2cc(C)c(C)cc12	InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1	C72H100CoN18O17P	1579.58	35	19	583.18	11	31	3	-4.02040000000001	0.997239999999989	5.31	-5.628	319.2502	393.380700000001	11.0676	NA
Cond-000157	Colchicine	Colchicine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.5626878598	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(OC)c(=O)cc12)NC(=O)C	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	C22H25NO6	399.437	7	1	83.09	3	6	0	-0.9132	2.48966	3.11	1.283	86.4182	109.8237	2.9906	383.745195172602
Cond-000158	Colistin	Colistin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.9677255529	[C@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O	InChI=1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30?,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1	C53H100N16O13	1169.46	29	23	490.66	1	33	3	-13.6124	-5.20750999999999	4.1	1.203	275.2692	308.728299999999	9.35460000000004	1174.1072499001
Cond-000159	Colistin A	Colistin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.0339746214	[C@@H]1(CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCN)NC(=O)C(CCNC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC[C@H](C)CC)[C@@H](C)O	InChI=1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31-,32-,33+,34+,35+,36+,37+,38?,39+,40?,42+,43+/m1/s1	C53H100N16O13	1169.46	29	23	490.66	1	33	3	-13.6124	-5.20750999999999	4.1	1.203	275.2692	308.728299999999	9.35460000000004	1174.1072499001
Cond-000160	Colistin sulfate salt	Colistin sulfate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	89.9485455194	OS(=O)(=O)O.[C@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O	InChI=1S/C53H100N16O13.H2O4S/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;1-5(2,3)4/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);(H2,1,2,3,4)/t30?,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+;/m1./s1	C53H102N16O17S	1267.54	29	23	490.66	1	33	3	-13.6124	-5.20750999999999	4.1	1.203	275.2692	308.728299999999	9.35460000000004	1174.1072499001
Cond-000161	Compactin	Compactin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	64.0816637465	[C@H]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC	InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1	C23H34O5	390.513	5	1	72.83	3	7	0	-0.520599999999999	4.03577000000001	3.44	4.07	100.0218	108.9938	3.145	402.700027692941
Cond-000162	Concanamycin A	Concanamycin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	O1[C@@](O)([C@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C(=C/C(=C/[C@H]([C@@H](O)[C@H]([C@@H](O)[C@@H](C/C(=C/C=C/[C@@H]2OC)/C)C)CC)C)/C)/OC)C)C)C[C@@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)N)[C@H](O)C2)C)[C@@H]([C@H]1/C=C/C)C	InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1	C46H75NO14	866.086	15	7	225.92	3	12	4	-0.2491	4.21284000000001	4.87	5	222.8368	229.707399999999	6.88480000000003	882.707098498686
Cond-000163	Conessin	Conessin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	82.4763210685	C[C@H]1C2CCC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23CN1C)N(C)C	InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19?,20?,21?,22?,23-,24-/m0/s1	C24H40N2	356.588	2	0	6.48	5	1	0	0.517600000000001	4.73579000000001	3.88	4.999	108.6144	108.816	3.1038	381.234857933136
Cond-000164	Convallatoxin	Convallatoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.8464198796	C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19?,20?,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1	C29H42O10	550.638	10	5	162.98	6	4	0	-2.5529	0.910080000000003	3.55	1.141	133.3058	137.77	4.0011	515.994151549347
Cond-000165	Coprostane	Coprostane	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.6601457028	C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2)[C@H](C)CCCC(C)C	InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22?,23?,24?,25?,26?,27?/m1/s1	C27H48	372.67	0	0	0	4	5	1	1.8412	8.49780000000001	4.43	13.868	109.4526	117.687	3.4785	426.122208796003
Cond-000166	Cortisone	Cortisone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.038132374	[C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1	C21H28O5	360.444	5	2	91.67	4	2	0	-1.0127	2.14988	3.22	0.14	95.4827	97.1156000000001	2.7546	355.751599740408
Cond-000167	Cromolyn sodium salt	Cromolyn sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	61.2664934536	[Na][Na].OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O	InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;	C23H16Na2O11	514.346	11	3	165.89	4	8	0	-2.2825	2.68035	2.78	1.7	66.1363	118.0604	3.0446	400.193259589107
Cond-000168	Crystal violet	Crystal violet	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	94.4011411687	[Cl-].CN(C)c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C	InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1	C25H30ClN3	407.979	3	0	9.49	3	4	1	-0.918	3.98827000000001	3.88	5.517	71.6843	123.227	3.1962	390.030621211969
Cond-000169	Crystalponceau 6R	Crystalponceau 6R	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	96.1538461538	[Na+].[Na+].Oc1c(/N=N/c2c3ccccc3ccc2)c2c(cc(cc2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]	InChI=1S/C20H14N2O7S2.2Na/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-21+;;	C20H12N2Na2O7S2	502.428	9	1	176.11	4	4	0	-2.8989	5.01817	2.45	4.061	19.8478	101.7333	2.9137	350.355967440796
Cond-000170	Cyclandelate	Cyclandelate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	13.9356542495	CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1	InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3	C17H24O3	276.371	3	1	46.53	2	4	1	0.927899999999998	3.37079	3	5.665	51.8088	80.5428000000001	2.2908	282.800125237417
Cond-000171	Cyclocytidine HCl	Cyclocytidine HCl	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.3595228301	Cl.OC[C@H]1OC2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O	InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8?;/m1./s1	C9H12ClN3O4	261.662	7	3	98.37	3	1	0	-1.7793	-1.55283	1.68	-0.215	50.3654	54.7983	1.4561	187.392755555545
Cond-000172	Cycloheximide	Cycloheximide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	104.917202613	C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)NC(=O)C1	InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11?,12+/m0/s1	C15H23NO4	281.347	5	2	83.47	2	3	0	-1.1054	1.27539	2.56	0.758	71.2863	75.7995	2.2105	281.531601595212
Cond-000173	Cyclophosphamide	Cyclophosphamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	72.9840360213	ClCCN(CCCl)P1(=O)NCCCO1	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)	C7H15Cl2N2O2P	261.086	4	1	51.38	1	5	0	0.084099999999999	0.5422	1.46	0.835	55.7243	54.4052	1.7527	207.095255147389
Cond-000174	Cyclosporin A	Cyclosporin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.226479775	[C@@H]1(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)/C=C/C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C	InChI=1S/C62H111N11O12/c1-25-27-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-49(74)68(19)44(28-34(3)4)55(78)66-50(39(13)14)62(85)69(20)45(29-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(30-36(7)8)59(82)71(22)47(31-37(9)10)60(83)72(23)48(32-38(11)12)61(84)73(51)24/h25,27,34-48,50-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,50+,51+,52-/m1/s1	C62H111N11O12	1202.61	23	5	278.8	1	15	3	-2.92820000000002	3.42908000000001	5.75	8.614	318.5458	331.4176	10.022	1263.36062509071
Cond-000175	Cyproheptadine hydrochloride	Cyproheptadine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	80.758062051	Cl.CN1CCC(=C2c3ccccc3C=Cc3ccccc23)CC1	InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H	C21H22ClN	323.859	1	0	3.24	4	0	1	1.1943	4.22358000000001	3.66	7.962	45.1197	91.649	2.3889	290.451391642568
Cond-000176	Cystathionine	Cystathionine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	42.3353201895	NC(CCSCC(N)C(=O)O)C(=O)O	InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)	C7H14N2O4S	222.262	6	6	151.94	0	7	0	-1.9678	-0.83261	1.46	-3.209	49.6579	56.4074	1.6068	200.018884956445
Cond-000177	Cytochalasin B	Cytochalasin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	62.9440593179	[C@@H]12/C=C/C[C@H](C)CCC[C@@H](O)/C=C\C(=O)O[C@]31C(C(Cc1ccccc1)NC3=O)[C@H](C)C(=C)[C@H]2O	InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15-/t18-,19-,22-,23+,24?,26?,27-,29-/m1/s1	C29H37NO5	479.608	6	3	95.86	4	2	1	-1.2828	3.50456000000001	3.99	5.965	103.5303	136.5423	3.80960000000001	483.670402152309
Cond-000178	D-(+)-Catechin hydrate	D-(+)-Catechin hydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.9937337613	O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)cc1)cc(O)cc2O	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1	C15H14O6	290.268	6	5	110.38	3	1	0	-2.494	1.94618	2.45	0.406	26.1033	76.6834	1.9905	246.049459984967
Cond-000179	D-(+)-Melibiose, Monohydrate	D-(+)-Melibiose, Monohydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.660451373	O.OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C12H22O11.H2O/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4;/h3-20H,1-2H2;1H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12+;/m1./s1	C12H24O12	360.312	11	8	189.53	2	4	2	-4.2603	-5.3972	1.57	-3.234	68.3367	68.6194	2.2279	288.087850515773
Cond-000180	D-(-)-Salicin	D-(-)-Salicin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.498971617	OC[C@H]1O[C@@H](Oc2c(CO)cccc2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1	C13H18O7	286.278	7	5	119.61	2	4	0	-2.6559	-1.4264	2.12	-0.0840000000000001	42.2547	68.3310000000001	2.005	251.413552236995
Cond-000181	D-Glucoheptose	D-Glucoheptose	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	65.3930409089	OC[C@@H](O)[C@@H](O)C(O)[C@@H](O)C(O)C=O	InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3?,4-,5+,6-,7?/m1/s1	C7H14O7	210.182	7	6	138.45	0	6	1	-3.3013	-3.78401	1.46	-3.997	43.3081	46.4268	1.4628	188.523479284994
Cond-000182	D-cycloserine	D-cycloserine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	73.9562013917	[C@@H]1(N)CONC1=O	InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1	C3H6N2O2	102.092	4	3	64.35	1	0	0	-1.6843	-1.39101	1.35	-0.915	21.3177	25.3131	0.6967	85.0254689942557
Cond-000183	DFMO	DFMO	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	60.6733524355	NCCCC(N)(C(F)F)C(=O)O	InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)	C6H12F2N2O2	182.168	4	5	89.34	0	5	0	-1.4415	0.00639000000000001	1.46	-2.711	35.587	42.0896	1.2634	161.404999273268
Cond-000184	DL-Panthenol	DL-Panthenol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	74.2574761832	CC(C)(CO)C(O)C(=O)NCCCO	InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)	C9H19NO4	205.251	5	4	89.79	0	7	0	-1.5118	-0.90171	1.9	-1.234	49.131	54.8291	1.6683	207.741528643211
Cond-000185	Daunorubicin(Daunomycin)	Daunorubicin(Daunomycin)	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	12.2292476067	COc1cccc2c1C(=O)c1c(C2=O)c(O)c2C[C@](O)(C[C@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)c2c1O)C(=O)C	InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1	C27H29NO10	527.52	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-000186	Dequalinium chloride	Dequalinium chloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	16.0633484163	[Cl-].[Cl-].Cc1[n+](CCCCCCCCCC[n+]2c(C)cc(N)c3ccccc23)c2ccccc2c(N)c1	InChI=1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H	C30H40Cl2N4	527.571	4	4	59.8	4	11	2	-5.7894	9.11831	4.32	8.742	52.6264	148.2288	3.9134	454.66907519907
Cond-000187	Desipramine	Desipramine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	102.253506862	CNCCCN1c2c(CCc3c1cccc3)cccc2	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	C18H22N2	266.381	2	1	15.27	3	4	1	-0.444899999999999	3.67928	3.22	5.005	33.9615	85.4417000000001	2.2606	267.189574075534
Cond-000188	Detoxin	Detoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000189	Dexamethasone	Dexamethasone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.840937864	[C@@H]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	C22H29FO5	392.461	5	3	94.83	4	2	0	-0.943999999999999	1.98197	3.22	1.138	101.2953	102.6474	2.9132	379.115143216581
Cond-000190	Dextromethorphan	Dextromethorphan	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.5492986276	[C@@H]12CCCC[C@]31CCN(C)[C@@H]2Cc1c3cc(OC)cc1	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1	C18H25NO	271.397	2	0	12.47	4	1	0	-0.591000000000001	3.88419	3.22	4.207	53.9015	83.4300000000001	2.2399	271.435957969529
Cond-000191	Diazoxide	Diazoxide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	28.7956120972	CC1=Nc2c(cc(Cl)cc2)S(=O)(=O)N1	InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)	C8H7ClN2O2S	230.671	4	1	66.91	2	0	0	-0.1476	2.09338	1.68	1.427	28.3802	51.0537	1.4495	174.059649148422
Cond-000192	Dibucaine	Dibucaine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.9478401783	CCCCOc1nc2c(cccc2)c(c1)C(=O)NCCN(CC)CC	InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)	C20H29N3O2	343.463	5	1	54.46	2	11	1	-0.560199999999999	3.85888000000001	3.11	4.16	57.7981	106.3297	2.8682	342.715215637358
Cond-000193	Diethylstilbesterol	Diethylstilbesterol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.6355349026	CC/C(=C(/CC)\c1ccc(O)cc1)/c1ccc(O)cc1	InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	C18H20O2	268.35	2	2	40.46	2	4	1	-0.2302	4.90758	3.22	5.662	33.7086	84.1748	2.244	272.496507060323
Cond-000194	Difenidol	Difenidol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.0997689241	OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1	InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2	C21H27NO	309.445	2	1	23.47	3	6	1	-1.5936	3.61480000000001	3.55	6.781	38.0004	93.6968000000001	2.6422	316.87099444553
Cond-000195	Difurazone	Difurazone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	53.9143241665	NC(=N)N/N=C(/C=C/c1ccc(o1)N(=O)=O)\C=C\c1ccc(o1)N(=O)=O	InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+	C14H12N6O6	360.282	12	4	186.82	2	8	0	1.1591	2.02132	1.68	3.698	49.308	98.3358	2.385	296.544660505701
Cond-000196	Digitoxin	Digitoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.0534759358	[C@H]12CCC3C(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1	InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27?,28?,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1	C41H64O13	764.939	13	5	182.83	8	7	1	-3.1051	3.40738000000001	4.54	3.415	183.3669	194.194	5.69380000000002	727.840188460625
Cond-000197	Diloxanide furoate	Diloxanide furoate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.8428630193	CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1	InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3	C14H11Cl2NO4	328.147	5	0	59.75	2	6	0	0.4273	3.73448	2.23	3.335	36.4492	84.095	2.1424	262.311917707012
Cond-000198	Dipyridamole	Dipyridamole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.480872069	OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO	InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2	C24H40N8O4	504.626	12	4	145.44	4	12	2	-3.3772	1.72506000000001	2.78	-0.778	95.8664	143.5722	3.87399999999999	462.386949881981
Cond-000199	Dirithromycin	Dirithromycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.092554504	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O	InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1	C42H78N2O14	835.074	16	5	196.33	4	12	2	-2.72460000000001	2.43559000000001	4.32	1.555	206.4986	216.766899999999	6.57040000000002	827.982213707386
Cond-000200	Dithranol	Dithranol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.630193336	Oc1cccc2c1C(=O)c1c(C2)cccc1O	InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2	C14H10O3	226.227	3	2	57.53	3	0	0	-0.7282	2.43909	2.67	2.644	15.0762	67.1378	1.6305	199.746336556617
Cond-000201	Domperidone	Domperidone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.740436035	Clc1cc2c(cc1)n(C1CCN(CCCn3c(=O)[nH]c4c3cccc4)CC1)c(=O)[nH]2	InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	C22H24ClN5O2	425.911	7	2	67.92	5	5	0	-1.3659	5.92376	3	3.36	59.3803	123.5994	3.0602	372.169479571858
Cond-000202	Doxorubicin	Doxorubicin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	12.2043854763	COc1cccc2c1C(=O)c1c(O)c3c(C[C@](O)(C[C@@H]3O[C@H]3C[C@@H](N)[C@@H](O)C(C)O3)C(=O)CO)c(O)c1C2=O	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10?,13-,15+,17+,22+,27+/m1/s1	C27H29NO11	543.519	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-000203	E-73	E-73	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	O([C@]1(C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@H](C1)C)C)C(=O)C	InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)/t9-,12-,13+,17+/m0/s1	C17H25NO6	339.383	7	2	109.77	2	5	0	-1.1654	0.96109	2.56	0.166	82.5026	86.8065	2.5667	331.067565547268
Cond-000204	Ellagic acid	Ellagic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	o1c2c3c4c(cc(O)c(O)c4oc(=O)c3cc(O)c2O)c1=O	InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	C14H6O8	302.193	8	4	133.52	4	0	0	-2.0234	2.25957	2.12	-0.0460000000000004	22.8418	76.4817	1.7724	228.704552657823
Cond-000205	Ellagic acid dihydrate	Ellagic acid dihydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	87.7377415505	Oc1c(O)c2c3c(c1)c(=O)oc1c3c(cc(O)c1O)c(=O)o2	InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	C14H6O8	302.193	8	4	133.52	4	0	0	-2.0234	2.25957	2.12	-0.0460000000000004	22.8418	76.4817	1.7724	228.704552657823
Cond-000206	Emodin	Emodin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	23.8231682358	Cc1cc2c(c(O)c1)C(=O)c1c(cc(O)cc1O)C2=O	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	C15H10O5	270.237	5	3	94.83	3	0	0	-1.2665	1.57521	2.56	0.664	23.8879	71.4049	1.8458	231.986315882806
Cond-000207	Eosin B	Eosin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.0547149626	[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2cc(c(=O)c(Br)c2oc2c(Br)c([O-])c(cc12)N(=O)=O)N(=O)=O	InChI=1S/C20H8Br2N2O9.2Na/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2	C20H6Br2N2Na2O9	624.057	11	0	175.77	4	4	1	0.6507	2.19535	2.23	5.332	62.9909	120.93	2.9681	386.012693280251
Cond-000208	Epinephrine(+/-)	Epinephrine(+/-)	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	55.3568699373	CNCC(O)c1cc(O)c(O)cc1	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	C9H13NO3	183.204	4	4	72.72	1	3	0	-1.7378	0.38009	2.01	-0.07	24.8006	50.2993	1.415	170.42192584025
Cond-000209	Erythromycin	Erythromycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.610067352	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(C2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23-,24?,25-,26+,28?,29+,30-,31+,32-,34+,35-,36?,37-/m1/s1	C37H67NO13	733.927	14	5	193.91	3	7	1	-2.4621	2.01949000000001	3.99	1.141	181.4808	189.501	5.77300000000002	731.435303669326
Cond-000210	Eserine	Eserine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.3109831345	CNC(=O)Oc1cc2c(cc1)N(C)[C@H]1N(C)CC[C@@]21C	InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	C15H21N3O2	275.346	5	1	44.81	3	3	0	0.9209	2.39977	2.56	2.093	52.143	83.6547	2.1411	260.051751208823
Cond-000211	Estradiol	Estradiol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	33.1036610448	C[C@]12CCC3C(CCc4c3ccc(O)c4)C1CC[C@@H]2O	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15?,16?,17-,18-/m0/s1	C18H24O2	272.382	2	2	40.46	4	0	0	-0.4699	3.97979000000001	3.22	4.646	52.5961	81.1498000000001	2.1988	269.229424461923
Cond-000212	Estriol	Estriol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.69377627	[C@@H]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@@H]1c3ccc(O)cc3CC[C@@H]21	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1	C18H24O3	288.381	3	3	60.69	4	0	0	-0.692600000000002	2.95059	3.11	4.045	55.647	82.5396	2.2575	278.019651162484
Cond-000213	Estrone	Estrone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.6189800982	[C@@H]12CCC(=O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(O)cc3	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	C18H22O2	270.366	2	1	37.3	4	0	0	0.0998000000000017	4.05129000000001	3.22	4.039	53.6172	80.9738000000001	2.1558	266.592965761123
Cond-000214	Etacrynic acid	Etacrynic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.9778827353	CCC(=C)C(=O)c1c(Cl)c(Cl)c(OCC(=O)O)cc1	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)	C13H12Cl2O4	303.138	4	1	63.6	1	6	0	1.4479	4.26657	2.23	2.362	49.2552	78.3883	2.0533	259.912090274578
Cond-000215	Ethinylestradiol	Ethinylestradiol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	29.4930875576	[C@@H]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(O)cc3	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1	C20H24O2	296.403	2	2	40.46	4	0	0	0.6041	3.69219000000001	3.44	4.667	60.8056	85.8616000000001	2.3946	298.548476312057
Cond-000216	Etidronate	Etidronate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	92.349102359	CC(O)(P(=O)(O)O)P(=O)(O)O	InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)	C2H8O7P2	206.028	7	5	154.91	0	2	0	-0.8018	-2.285	0.69	-3.815	33.3638	26.258	1.2105	144.334521672461
Cond-000217	Etizolam	Etizolam	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.9436876488	CCc1cc2c(s1)n1c(C)nnc1CN=C2c1c(Cl)cccc1	InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3	C17H15ClN4S	342.846	4	0	70.79	4	2	0	0.844500000000001	4.93331	2.67	4.815	42.1446	96.39	2.4106	277.077825591634
Cond-000218	Etodolac	Etodolac	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.805185598	CCc1cccc2c1[nH]c1c2CCOC1(CC)CC(=O)O	InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)	C17H21NO3	287.354	4	2	62.32	3	4	0	-0.726999999999998	3.19908	2.89	3.204	47.3154	85.4928000000001	2.239	267.903968043984
Cond-000219	Etoposide	Etoposide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.4589015007	[C@H]12COC(=O)[C@@H]1[C@H](c1cc(OC)c(O)c(OC)c1)c1c(cc3OCOc3c1)[C@H]2OC1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](O)[C@H]1O	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29?/m1/s1	C29H32O13	588.557	13	3	160.83	7	5	0	-2.5703	1.71548000000001	3.22	0.199	90.7615	141.9444	3.89660000000001	497.66253814703
Cond-000220	FK228	FK228	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	S1SCC/C=C/[C@H]2OC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@H](NC(=O)[C@H](NC(=O)C2)C(C)C)C1)C(C)C	InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1	C24H36N4O6S2	540.696	10	4	193.3	2	2	0	-0.126700000000003	1.51587	2.78	3.619	136.1292	143.2408	4.0504	514.238410565636
Cond-000221	FMOC-D-DAP(DDE)-OH	FMOC-D-DAP(DDE)-OH	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.718440954	CC(=C1C(=O)CC(C)(C)CC1=O)NCC(NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)[O-]	InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)29-14-22(26(33)34)30-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,29H,12-15H2,1-3H3,(H,30,35)(H,33,34)/p-1	C28H29N2O6-	489.54	8	2	124.63	4	9	1	-0.869099999999998	0.984880000000005	3.66	6.735	80.9282	133.2724	3.6767	466.033798982369
Cond-000222	Fast green FCF	Fast green FCF	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	144.014808721	[Na+].[Na+].CCN(Cc1cc(ccc1)S(=O)(=O)[O-])c1ccc(cc1)/C(=C\1/C=C/C(=[N+](\CC)/Cc2cccc(c2)S(=O)(=O)[O-])/C=C1)/c1c(cc(O)cc1)S(=O)(=O)[O-]	InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2	C37H34N2Na2O10S3	808.848	12	1	223.22	5	12	1	-4.7104	5.25075	3.88	4.254	92.6877	173.02	5.32500000000001	663.728658035011
Cond-000223	Filipin III	Filipin III	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.539778194	CCCCC[C@@H](O)C1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)/C(=C/C=C/C=C/C=C/C=C/[C@H](O)[C@@H](C)OC1=O)/C	InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34?/m1/s1	C35H58O11	654.828	11	9	208.37	1	5	2	-4.8745	1.75284000000001	4.1	2.574	163.7621	177.1592	5.31920000000001	682.433203406705
Cond-000224	Flavone	Flavone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.3866727801	O=c1cc(oc2c1cccc2)c1ccccc1	InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H	C15H10O2	222.239	2	0	26.3	3	1	1	-0.5036	3.58927	2.89	5.3	16.5363	69.84	1.6697	205.615635781123
Cond-000225	Flecainide acetate salt	Flecainide acetate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	97.2850678733	CC(=O)O.FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1	InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)	C19H24F6N2O5	474.395	5	2	59.59	2	10	0	-0.0352000000000009	3.40909	2.12	4.3	57.8304	90.5384000000001	2.5966	341.19899875559
Cond-000226	Florfenicol	Florfenicol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.5206072648	CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl	InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1	C12H14Cl2FNO4S	358.213	5	2	91.85	1	7	0	0.177500000000001	2.35509	1.79	1.775	52.1251	80.4205	2.2794	283.462366166384
Cond-000227	Fluconazole	Fluconazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	Fc1c(C(O)(Cn2ncnc2)Cn2ncnc2)ccc(F)c1	InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	C13H12F2N6O	306.271	7	1	81.65	3	5	0	0.2638	0.0557899999999992	1.9	0.767	21.833	71.6558	2.0064	232.085577479241
Cond-000228	Flumequine	Flumequine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	80.1229665685	CC1CCc2cc(F)cc3c2n1cc(C(=O)O)c3=O	InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)	C14H12FNO3	261.248	4	1	57.61	3	1	0	-0.484200000000001	2.81877	2.45	3.097	41.7496	70.1083	1.791	230.34711431589
Cond-000229	Flumethasone pivalate	Flumethasone pivalate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	79.4844362932	[C@@H]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)C1(C)C[C@H](O)[C@@]1(F)C2C[C@H](F)C2=CC(=O)C=CC12C	InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17?,19+,20+,24?,25?,26+,27+/m1/s1	C27H36F2O6	494.568	6	2	100.9	4	5	0	1.34829999999999	3.52697	3.55	2.125	123.5542	126.2546	3.6511	477.816393195982
Cond-000230	Flunarizine hydrochloride	Flunarizine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.8765210708	Cl.Cl.Fc1ccc(cc1)C(N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1	InChI=1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;	C26H28Cl2F2N2	477.417	2	0	6.48	4	6	1	1.4612	4.50578000000001	3.88	8.518	44.8185	117.5	3.1426	383.890275279082
Cond-000231	Flunisolide	Flunisolide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.2659152043	CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13?,14?,16-,17?,19+,20?,22?,23?,24+/m0/s1	C24H31FO6	434.498	6	2	93.06	5	2	0	-0.522100000000002	2.36097	3.33	1.122	110.3183	111.2316	3.1451	410.140880468076
Cond-000232	Fluorescamine	Fluorescamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.3224310968	O=C1OC2(OC=C(C2=O)c2ccccc2)c2c1cccc2	InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H	C17H10O4	278.259	4	0	52.6	4	1	1	-0.7378	2.14949	2.89	5.241	23.8976	75.494	1.9173	242.795141032378
Cond-000233	Fluoresceinamine isomer I	Fluoresceinamine isomer I	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.9613327849	Nc1cc2c(cc1)C1(OC2=O)c2c(Oc3c1ccc(O)c3)cc(O)cc2	InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2	C20H13NO5	347.321	6	4	105.92	5	0	0	-2.2006	1.48507	3	2.55	19.5651	91.597	2.3469	277.677164417107
Cond-000234	Fluorometholone	Fluorometholone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.6830404618	[C@@H]12CC[C@](O)(C(=O)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@H]2C[C@H](C)C2=CC(=O)C=C[C@]12C	InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1	C22H29FO4	376.462	4	2	74.6	4	1	0	-0.0788000000000026	3.00957	3.33	1.953	99.1795	101.2356	2.8545	370.32491651602
Cond-000235	Flurbiprofen	Flurbiprofen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	59.2509209988	CC(C(=O)O)c1cc(F)c(cc1)c1ccccc1	InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	C15H13FO2	244.261	2	1	37.3	2	3	1	0.5347	3.96309	2.78	5.507	17.4459	72.0138	1.839	226.676112033029
Cond-000236	Flutamide	Flutamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	33.2378223496	CC(C)C(=O)Nc1cc(c(cc1)N(=O)=O)C(F)(F)F	InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)	C11H11F3N2O3	276.212	5	1	72.24	1	5	0	1.8577	4.17658	1.79	3.589	32.8527	67.5227	1.7637	228.94041444947
Cond-000237	Fluvastatin	Fluvastatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.0650839132	CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(c2c1cccc2)c1ccc(F)cc1	InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1	C24H26FNO4	411.466	5	3	82.69	3	8	0	-0.501499999999999	5.13287000000001	3.44	4.958	55.8895	119.7404	3.1297	382.38781117272
Cond-000238	Folic acid	Folic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	30.2002139691	Nc1nc(=O)c2c([nH]1)ncc(CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)n2	InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	C19H19N7O6	441.397	13	7	208.99	3	10	2	-3.1727	0.86897	2.12	-2.262	56.6171	115.9881	3.0377	379.028426441602
Cond-000239	Formycin B	Formycin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	118.673760706	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2c1[nH]cnc2=O	InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1	C10H12N4O5	268.226	9	5	140.06	3	2	0	-3.4606	-2.14442	1.57	-1.102	45.7092	65.7461	1.7125	210.939268389339
Cond-000240	Forskolin	Forskolin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.2003290827	[C@H]1(O)CCC(C)(C)[C@@H]2[C@H](O)[C@H](OC(=O)C)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C	InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1	C22H34O7	410.501	7	3	113.29	3	3	0	-0.434700000000006	1.67998	3.11	1.43	102.9431	107.8184	3.1645	405.620955168997
Cond-000241	Fosfomycin	Fosfomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.878240776	C[C@@H]1O[C@@H]1P(=O)(O)O	InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1	C3H7O4P	138.059	4	2	79.87	1	1	0	-0.6449	-0.7375	1.24	-1.578	25.4657	22.1521	0.862100000000001	103.076114087844
Cond-000242	Furazolidone	Furazolidone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	66.3507109005	O=C1OCCN1/N=C/c1ccc(o1)N(=O)=O	InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+	C8H7N3O5	225.158	8	0	98.18	2	3	0	0.411	0.75697	1.46	1.535	31.2773	59.305	1.3965	175.070538929439
Cond-000243	Furosemide	Furosemide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.1393621109	NS(=O)(=O)c1c(Cl)cc(NCc2ccco2)c(c1)C(=O)O	InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)	C12H11ClN2O5S	330.744	7	4	131.01	2	5	0	-0.9949	1.45239	1.79	0.884	33.6078	75.1009	2.1032	253.441350351973
Cond-000244	G-418	G-418	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	71.2932632488	[C@H]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N	InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1	C20H40N4O10	496.552	14	13	248.39	3	6	2	-6.3569	-5.613	2.12	-3.976	112.2148	115.8697	3.58700000000001	449.296082954014
Cond-000245	Gemfibrozil	Gemfibrozil	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	68.8510311259	Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1	InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)	C15H22O3	250.333	3	1	46.53	1	6	0	1.5903	3.80183	2.78	3.748	45.9565	75.4378000000001	2.1176	260.564614686484
Cond-000246	Geniposidic acid	Geniposidic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	61.2376526751	[C@H]12CC=C(CO)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)O	InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1	C16H22O10	374.34	10	6	166.14	3	5	1	-3.1722	-2.23123	2.12	-2.175	82.9504	84.9128	2.4952	328.215727515479
Cond-000247	Genistein	Genistein	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	37.4437167417	Oc1ccc(cc1)c1coc2c(c(O)cc(O)c2)c1=O	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	C15H10O5	270.237	5	3	86.99	3	1	0	-2.0476	2.70607	2.56	1.512	22.9991	74.8344	1.8458	231.986315882806
Cond-000248	Genistin	Genistin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1cc2occ(c(=O)c2c(O)c1)c1ccc(O)cc1)CO	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1	C21H20O10	432.377	10	6	166.14	4	4	1	-3.7945	0.179170000000003	2.67	0.403999999999999	55.4124	107.5648	2.87610000000001	367.356898440013
Cond-000249	Gibberellin A3	Gibberellin A3	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.7071858588	[C@@H]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@H]1[C@]3(C)[C@@H](O)C=C[C@@]21OC3=O	InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1	C19H22O6	346.374	6	3	104.06	5	1	0	-0.0109000000000035	1.11337	2.89	-0.595	85.8663	87.8764	2.4229	317.593398488435
Cond-000250	Ginkgolide A from Ginkgo leaves	Ginkgolide A from Ginkgo leaves	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	26.909165011	CC1C(=O)OC2CC34C5CC(C(C)(C)C)C63C(O)C(=O)OC6OC4(C(=O)O5)C12O	InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3	C20H24O9	408.399	9	2	128.59	6	1	0	-0.744999999999998	-0.10641	2.67	1.176	90.3443	93.8646	2.6743	351.540063215985
Cond-000251	Glibenclamide	Glibenclamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	78.3626621975	COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)	C23H28ClN3O5S	494.004	8	3	121.98	3	11	1	-2.2184	3.75358	2.89	4.794	66.077	124.7596	3.5583	437.064565342275
Cond-000252	Gliclazide	Gliclazide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	73.0301414388	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1	InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)	C15H21N3O3S	323.411	6	2	86.89	3	5	0	-0.7635	1.4613	2.34	3.298	53.8295	79.8894	2.3633	287.351001966984
Cond-000253	Gramicidin S	Gramicidins	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	104.400668456	CC(C)C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@@H](NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCN)NC(=O)[C@@H](NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C	InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41?,42?,43-,44-,45-,46-,47?,48?,49-,50-/m0/s1	C60H92N12O10	1141.45	22	12	325.46	5	16	4	-8.7488	1.46169000000001	5.64	10.606	233.9344	313.613399999999	9.11620000000003	1140.41329303961
Cond-000254	Gramicidin S	Gramicidin S	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	104.400668456	CC(C)C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@@H](NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCN)NC(=O)[C@@H](NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C	InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41?,42?,43-,44-,45-,46-,47?,48?,49-,50-/m0/s1	C60H92N12O10	1141.45	22	12	325.46	5	16	4	-8.7488	1.46169000000001	5.64	10.606	233.9344	313.613399999999	9.11620000000003	1140.41329303961
Cond-000255	Griseofulvin	Griseofulvin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.3247852731	[C@@H]1(C)CC(=O)C=C(OC)[C@]21Oc1c(C2=O)c(OC)cc(OC)c1Cl	InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1	C17H17ClO6	352.766	6	0	71.06	3	3	0	-0.295200000000001	3.47117	2.56	0.911	64.8328	91.1595	2.3947	306.752497007134
Cond-000256	Guanabenz acetate salt	Guanabenz acetate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	57.1093789801	CC(=O)[O-].[NH2+]C(=N)N/N=C/c1c(Cl)cccc1Cl	InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)/b13-4+;	C10H11Cl2N4O2	290.126	4	5	75.88	1	3	0	0.9849	0.98868	1.68	3.74	29.9819	60.1075	1.5777	186.212989226867
Cond-000257	Haloperidol	Haloperidol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	62.6207249904	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	C21H23ClFNO2	375.864	3	1	40.54	3	6	0	-0.566200000000001	4.05289	3.22	4.497	47.0203	103.2308	2.798	344.30338906603
Cond-000258	Harmol	Harmol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	81.2473019984	Cc1nccc2c1[nH]c1c2ccc(O)c1	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3	C12H10N2O	198.221	3	2	48.91	3	0	0	-0.4412	3.2035	2.45	1.794	11.5971	64.104	1.4739	161.303893020895
Cond-000259	Hedamycin	Hedamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	21.7363093693	CC1OC1C1OC1(C)c1cc(=O)c2c(C)cc3C(=O)c4c(cc(C5CC(C)(C(O)C(C)O5)N(C)C)c(O)c4C(=O)c3c2o1)C1CC(C(O)C(C)O1)N(C)C	InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3	C41H50N2O11	746.843	13	3	171.13	8	6	1	-2.0242	3.46470000000001	4.54	0.897	150.5929	199.306599999999	5.43200000000001	689.361585869437
Cond-000260	Hematein	Hematein	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.652363264	OC1=CC2=C3c4c(OCC3(O)CC2=CC1=O)c(O)c(O)cc4	InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2	C16H12O6	300.263	6	4	107.22	4	0	0	-1.6041	1.23316	2.56	-0.381	55.2546	77.1962	1.9798	259.252527209234
Cond-000261	Hematoporphyrin dihydrochloride	Hematoporphyrin dihydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	77.7421162566	CC(O)c1c2[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\2)/C(=C5C(C)O)C)/c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O)c1C	InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-	C34H38N4O6	598.689	10	6	172.42	5	8	1	0.676399999999999	5.93500000000001	4.1	3.083	101.3554	174.5742	4.5486	564.592080401902
Cond-000262	Hematoxylin	Hematoxylin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.8218839984	Oc1c(O)cc2C3c4c(OCC3(O)Cc2c1)c(O)c(O)cc4	InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2	C16H14O6	302.279	6	5	110.38	4	0	0	-2.4092	2.22989	2.56	0.503	29.9362	79.3542	2.0228	250.988985910034
Cond-000263	Heptakis(2, 6-di-O-methyl)-beta-cyclodextrin	Heptakis(2, 6-di-O-methyl)-beta-cyclodextrin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	73.8295379286	COCC1OC2OC3C(COC)OC(OC4C(COC)OC(OC5C(COC)OC(OC6C(COC)OC(OC7C(COC)OC(OC8C(COC)OC(OC1C(O)C2OC)C(OC)C8O)C(OC)C7O)C(OC)C6O)C(OC)C5O)C(OC)C4O)C(OC)C3O	InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3	C56H98O35	1331.36	35	7	400.05	7	21	3	-6.5093	-6.07319999999999	3.77	-9.499	293.4099	295.496599999998	9.18470000000004	1185.93786266258
Cond-000264	Heptitol	Perseitol diformal	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.7396133278	OCC(O)C(O)C(O)C(O)C(O)CO	InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2	C7H16O7	212.198	7	7	141.61	0	6	1	-3.4509	-4.2245	1.46	-4.568	44.3661	44.2056	1.5058	191.159937985794
Cond-000265	Herboxy	Herboxy	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	Clc1nc(NCC)nc(NCC)n1	InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)	C7H12ClN5	201.657	5	2	62.73	1	4	0	0.164200000000001	2.19898	1.57	1.075	32.5731	55.2464	1.4787	168.657385089934
Cond-000266	Hesperetin	Hesperetin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.7451005508	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1	C16H14O6	302.279	6	3	96.22	3	2	0	-1.8662	2.14579	2.56	0.453	29.9218	78.9904000000001	2.0884	260.708985910034
Cond-000267	Histamine	Histamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.605307135	NCCc1c[nH]cn1	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	C5H9N3	111.145	3	3	54.7	1	2	0	-1.4467	-0.16581	1.68	-0.453	15.1459	32.8194	0.917900000000001	99.4972863522335
Cond-000268	Hycanthone	Hycanthone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.118227232	CCN(CC)CCNc1ccc(CO)c2c1c(=O)c1c(s2)cccc1	InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3	C20H24N2O2S	356.482	4	2	77.87	3	7	0	0.1995	3.34498	3.11	3.084	56.0197	101.0665	2.7803	335.234562085191
Cond-000269	Hydrocortisone	Hydrocortisone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.048260495	[C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	C21H30O5	362.46	5	3	94.83	4	2	0	-1.1216	1.94168	3.22	0.553	96.3667	98.1154000000001	2.7976	358.388058441208
Cond-000270	Hydroxymycin	Hydroxymycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	50.8698321736	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)C3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18?,19-,20-,21-,22-,23?/m1/s1	C23H45N5O14	615.629	19	18	347.32	4	9	2	-9.0195	-8.8617	1.9	-6.847	132.289	136.3874	4.23570000000001	534.985245141224
Cond-000271	Hydroxyurea	Hydroxyurea	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	ONC(=O)N	InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)	CH4N2O2	76.0547	4	4	75.35	0	1	0	-1.088	-1.35811	1.13	-1.606	12.5072	17.3596	0.5235	62.7899584433223
Cond-000272	Hygromycin B	Hygromycin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O1[C@H]2[C@@H](OC31O[C@@H]([C@H](O)[C@@H](O)[C@H]3O)[C@@H](N)CO)[C@@H](O)[C@H](O[C@H]2O[C@H]1[C@H](O)[C@@H](NC)C[C@@H](N)[C@@H]1O)CO	InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1	C20H37N3O13	527.52	16	13	272.06	4	6	2	-6.3196	-7.27059999999999	1.9	-5.261	112.1	114.5119	3.55470000000001	452.31354414673
Cond-000273	Hyodeoxycholic acid	Hyodeoxycholic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	70.2124407764	CC(CCC(=O)O)C1CCC2C3C[C@H](O)C4C[C@H](O)CCC4(C)C3CCC12C	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15-,16?,17?,18?,19?,20?,21+,23?,24?/m1/s1	C24H40O4	392.572	4	3	77.76	4	4	1	0.106699999999992	4.71179000000001	3.66	6.389	104.1515	111.8904	3.2476	406.758703019847
Cond-000274	Hypotaurine	Hypotaurine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.4040959804	NCCS(=O)O	InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)	C2H7NO2S	109.147	3	3	82.53	0	2	0	-1.3642	0.0325000000000002	1.24	-2.554	25.0895	24.8277	0.7711	90.2346656194223
Cond-000275	Hypoxanthine	Hypoxanthine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.6425339367	O=c1[nH]cnc2c1[nH]cn2	InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4O	136.111	5	2	70.14	2	0	0	-1.0894	-0.80292	1.46	-0.541	18.2925	38.4747	0.8818	101.654897158561
Cond-000276	IB01212	IB01212	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000277	IBMX	IBMX	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.809250921	CC(C)Cn1c2c([nH]cn2)c(=O)n(C)c1=O	InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)	C10H14N4O2	222.244	6	1	69.3	2	2	0	-0.4848	0.56419	1.9	0.643	42.8608	61.715	1.645	196.925046988456
Cond-000278	Ibandronate	Ibandronate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.5476498819	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	C9H23NO7P2	319.229	8	5	158.15	0	9	0	-2.1049	-0.7928	1.35	-2.108	63.6497	62.223	2.2966	276.403174261695
Cond-000279	Ibuprofen	Ibuprofen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.0267888793	CC(C)Cc1ccc(cc1)C(C)C(=O)O	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	C13H18O2	206.281	2	1	37.3	1	4	1	0.949099999999999	3.30709	2.67	5.342	35.5958	64.2778	1.7771	217.182418734189
Cond-000280	Idazoxan hydrochloride	Idazoxan hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.734423557	Cl.C1CN=C(N1)C1COc2c(O1)cccc2	InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H	C11H13ClN2O2	240.686	4	1	42.85	3	1	0	-1.1313	1.22658	2.23	1.233	29.2094	59.5337	1.4777	179.871052497189
Cond-000281	Idebenone	Idebenone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	21.868413702	COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO	InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3	C19H30O5	338.439	5	1	72.83	1	12	1	-3.0287	3.54857	3	3.865	83.1131	95.0998	2.7986	358.229006591074
Cond-000282	Ifenprodil	Ifenprodil	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	41.7053909246	CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1	InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	C21H27NO2	325.445	3	2	43.7	3	5	1	-1.4946	3.79829000000001	3.44	6.011	43.5267	98.6128000000001	2.7009	325.661221146091
Cond-000283	Imipramine	Imipramine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.5209905302	CN(C)CCCN1c2c(CCc3c1cccc3)cccc2	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	C19H24N2	280.407	2	0	6.48	3	4	1	0.0910000000000007	4.02148	3.33	5.244	39.2562	90.0690000000001	2.4015	284.485558701401
Cond-000284	Indapamide	Indapamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.0610700592	CC1Cc2c(cccc2)N1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N	InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	C16H16ClN3O3S	365.835	6	3	100.88	3	4	0	-0.7505	2.53088	2.34	2.624	41.2587	90.4111	2.4976	301.048678260884
Cond-000285	Indomethacin	Indomethacin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.7181850408	COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)O	InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	C19H16ClNO4	357.788	5	1	68.53	3	5	0	0.292199999999999	4.286	2.89	3.758	37.8739	98.9343000000001	2.5299	305.051396963512
Cond-000286	Ipriflavone	Ipriflavone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	78.911150047	CC(C)Oc1ccc2c(=O)c(coc2c1)c1ccccc1	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3	C18H16O3	280.318	3	0	35.53	3	3	1	-0.7686	4.37647	3.11	5.895	32.1197	85.604	2.1511	266.293816359284
Cond-000287	Irsogladine	Irsogladine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.9788476677	Nc1nc(nc(N)n1)c1cc(Cl)ccc1Cl	InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)	C9H7Cl2N5	256.091	5	4	90.71	2	1	0	-0.0112000000000001	3.27377	1.68	1.509	19.6754	68.1148	1.6453	187.2945873089
Cond-000288	Itraconazole	Itraconazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	Clc1c([C@@]2(O[C@H](CO2)COc2ccc(N3CCN(CC3)c3ccc(n4c(=O)n(nc4)C(CC)C)cc3)cc2)Cn2ncnc2)ccc(Cl)c1	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1	C35H38Cl2N8O4	705.633	12	0	100.79	7	11	3	0.219	6.95376000000001	3.77	6.175	99.0669	194.078999999999	4.99890000000001	603.103870598579
Cond-000289	Itraconazole	ICZ-carbazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	Clc1c([C@@]2(O[C@H](CO2)COc2ccc(N3CCN(CC3)c3ccc(n4c(=O)n(nc4)C(CC)C)cc3)cc2)Cn2ncnc2)ccc(Cl)c1	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1	C35H38Cl2N8O4	705.633	12	0	100.79	7	11	3	0.219	6.95376000000001	3.77	6.175	99.0669	194.078999999999	4.99890000000001	603.103870598579
Cond-000290	Iyomycin B1	Iyomycin B1	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000291	Josamycin	Josamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	71.1104339656	CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(=O)C	InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1	C42H69NO15	827.995	16	3	206.05	3	14	2	-0.798400000000002	3.09967000000001	4.32	2.951	207.9538	212.554399999999	6.42290000000002	824.94984539658
Cond-000292	K252A	K252A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	O1[C@]2(n3c4c5n(C1C[C@@]2(O)C(=O)OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C	InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m1/s1	C27H21N3O5	467.473	8	2	94.72	8	2	0	-1.5694	3.52159	3.55	3.219	50.7132	132.2925	3.164	370.136742411308
Cond-000293	Kaempferol	Kaempferol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.9374742904	Oc1ccc(cc1)c1c(O)c(=O)c2c(o1)cc(O)cc2O	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	C15H10O6	286.236	6	4	107.22	3	1	0	-2.3409	2.59177	2.45	1.915	25.9107	76.4062	1.9045	240.776542583367
Cond-000294	Kanamycin A	Kanamycin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.5290423862	NCC1O[C@H](OC2[C@@H](N)CC(N)[C@H](O[C@@H]3OC(CO)[C@@H](O)C(N)[C@@H]3O)C2O)C(O)C(O)[C@@H]1O	InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4?,5-,6?,7?,8?,9+,10+,11-,12?,13?,14?,15-,16?,17-,18+/m0/s1	C18H36N4O11	484.499	15	15	282.61	3	6	2	-7.4937	-7.29139999999999	1.79	-5.486	104.1807	107.7922	3.36390000000001	423.494340402841
Cond-000295	Ketoconazole	Ketoconazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	16.6312283848	[C@@H]1(COc2ccc(cc2)N2CCN(CC2)C(=O)C)CO[C@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	C26H28Cl2N4O4	531.431	8	0	69.06	5	8	0	0.4786	4.62568	3.22	3.385	73.4343	140.485	3.7208	449.611720337914
Cond-000296	Ketoprofen	Ketoprofen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.5999392313	CC(C(=O)O)c1cc(ccc1)C(=O)c1ccccc1	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	C16H14O3	254.281	3	1	54.37	2	4	0	-0.2088	3.33959	2.89	4.988	21.9194	75.6103000000001	1.9779	244.05830580835
Cond-000297	Ketotifen	Ketotifen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	65.0059673447	CN1CCC(=C2c3c(scc3)C(=O)Cc3c2cccc3)CC1	InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	C19H19NOS	309.425	2	0	48.55	4	0	0	1.0881	3.80008	3.22	3.886	52.4898	93.5080000000001	2.3723	285.795131849796
Cond-000298	Khellin	Khellin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.0736518509	COc1c2occc2c(OC)c2c1oc(C)cc2=O	InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3	C14H12O5	260.242	5	0	57.9	3	2	0	-0.321800000000001	3.32427	2.45	1.094	38.5195	72.846	1.7909	219.963248658539
Cond-000299	Kigamicin D	KigamicinD	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000300	Kinetin	Kinetin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.9778403996	C(Nc1ncnc2c1nc[nH]2)c1ccco1	InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	C10H9N5O	215.211	6	2	79.63	3	3	0	-0.9833	1.52778	1.9	0.608	12.9313	61.9057	1.4915	159.702204393662
Cond-000301	Kinetin riboside	Kinetin riboside	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	74.8456513385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1ncnc2NCc1ccco1	InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1	C15H17N5O5	347.326	10	4	138.69	4	5	0	-2.0921	-0.19181	2.01	-0.537	39.9256	87.6101	2.3222	268.98657562444
Cond-000302	Kundrymycin	Kundrymycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000303	L(-)-Mimosine	L(-)-Mimosine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.214899714	NC(Cn1ccc(=O)c(O)c1)C(=O)O	InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)	C8H10N2O4	198.176	6	4	103.86	1	3	0	-2.162	-0.71763	1.68	-2.372	48.3714	49.879	1.3896	181.176469422311
Cond-000304	L-Anserine nitrate salt	L-Anserine nitrate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.9633895516	ON(=O)=O.Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O	InChI=1S/C10H16N4O3.HNO3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11;2-1(3)4/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17);(H,2,3,4)/t8-;/m0./s1	C10H17N5O6	303.272	7	4	110.24	1	7	0	-1.3641	-0.48012	1.79	-3.565	44.5136	64.4339	1.8123	218.071732389817
Cond-000305	L-Buthionine-(S,R)-sulfoximine	L-Buthionine-(S,R)-sulfoximine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	59.4601457556	CCCCS(=N)(=O)CCC(N)C(=O)O	InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)	C8H18N2O3S	222.305	5	4	112.62	0	7	0	-2.4709	0.60606	1.68	-1.222	42.765	53.6534	1.732	211.16110158255
Cond-000306	L-Canavanine sulfate salt	L-Canavanine sulfate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.3531509501	OS(=O)(=O)[O-].N=C(N)NOCCC(N)C(=O)O	InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/p-1	C5H13N4O7S-	273.244	7	7	134.45	0	6	0	-2.0468	-1.97524	1.24	-3.019	35.2068	45.522	1.3024	160.121185362883
Cond-000307	L-Homocystine	L-Homocystine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.7630604689	NC(CCSSCC[C@H](N)C(=O)O)C(=O)O	InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1	C8H16N2O4S2	268.354	6	6	177.24	0	9	0	-1.6652	0.20569	1.46	-2.596	60.363	68.6154	1.9112	235.823893639911
Cond-000308	L-Kynurenine	L-Kynurenine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6505680371	N[C@@H](CC(=O)c1ccccc1N)C(=O)O	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1	C10H12N2O3	208.214	5	5	106.41	1	4	0	-2.1257	0.48739	2.01	-1.719	28.8815	58.6561	1.5697	193.441753272684
Cond-000309	L-Lobeline hydrochloride	L-Lobeline hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.212034384	CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1	InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1	C22H27NO2	337.455	3	1	40.54	3	6	1	-1.877	3.86329000000001	3.55	6.146	42.8946	102.8418	2.7988	340.320747071158
Cond-000310	L-Mimosine from Koa hoale seeds	L-Mimosine from Koa hoale seeds	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.4169850731	NC(Cn1ccc(=O)c(O)c1)C(=O)O	InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)	C8H10N2O4	198.176	6	4	103.86	1	3	0	-2.162	-0.71763	1.68	-2.372	48.3714	49.879	1.3896	181.176469422311
Cond-000311	L-NAME	L-NAME	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.3192795743	COC(=O)C(N)CCCNC(=N)NN(=O)=O	InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)	C7H15N5O4	233.225	9	5	143.37	0	9	0	-1.2696	-1.33454	1.24	0.596	45.1584	60.2015	1.6997	211.863682822545
Cond-000312	L-VALYL-L-PHENYLALANINE	L-VALYL-L-PHENYLALANINE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1965065502	CC(C)C([NH3+])C(=O)NC(Cc1ccccc1)C(=O)[O-]	InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)	C14H20N2O3	264.32	5	4	96.87	1	7	0	-2.6752	-1.03581	2.45	3.013	38.1618	71.8408	2.1333	262.62569177615
Cond-000313	L-VALYL-L-TYROSINE METHYL ESTER HYDROBROMIDE	L-VALYL-L-TYROSINE METHYL ESTER HYDROBROMIDE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6174292766	Br.COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)C(C)C	InChI=1S/C15H22N2O4.BrH/c1-9(2)13(16)14(19)17-12(15(20)21-3)8-10-4-6-11(18)7-5-10;/h4-7,9,12-13,18H,8,16H2,1-3H3,(H,17,19);1H	C15H23BrN2O4	375.258	6	4	101.65	1	8	0	-1.5127	0.809690000000001	2.45	1.263	51.9954	81.8139	2.3329	288.711903102579
Cond-000314	LY-165,163	LY-165,163	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	68.673900861	Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1	InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2	C19H22F3N3	349.393	3	2	32.5	3	5	0	0.688200000000001	3.3112	2.89	4.755	44.4655	93.8774000000001	2.5544	313.684995460488
Cond-000315	Lactoferrin, from Bovin Milk	Lactoferrin, from Bovin Milk	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000316	Lanatoside c	Lanatoside c	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	53.234276931	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(=O)C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1	InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28-,29?,30?,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1	C49H76O20	985.116	20	8	288.28	9	12	3	-5.04600000000001	0.77318000000001	4.65	1.377	226.0288	237.764399999999	7.08030000000003	912.746734969886
Cond-000317	Latrunculin B	Latrunculin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	S1C[C@H](NC1=O)[C@@]1(O[C@H]2C[C@@H](OC(=O)/C=C(\CC/C=C\[C@H](CC2)C)/C)C1)O	InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1	C20H29NO5S	395.513	6	2	110.16	3	1	0	0.767399999999999	3.38967	2.89	3.775	98.8012	106.9465	2.9856	380.317858081108
Cond-000318	Laurucin	Laurucin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.2641219418	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2c1[nH]cnc2=O	InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1	C10H12N4O5	268.226	9	5	140.06	3	2	0	-3.4606	-2.14442	1.57	-1.102	45.7092	65.7461	1.7125	210.939268389339
Cond-000319	Leptomycin B	Leptomycin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O[C@H]([C@H](C/C(=C/C(=O)O)/C)C)[C@@H](C(=O)[C@H](C)/C=C(/C=C/C[C@H](/C=C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)/CC)C)\C)C	InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1	C33H48O6	540.731	6	2	100.9	1	15	2	3.8151	6.57573000000001	4.43	6.472	161.6073	158.5146	4.61490000000001	595.980724549769
Cond-000320	Leukomisine	Leukomisine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	81.5018594936	[C@@H]12CCC(=C3C(=O)C=C(C)[C@@H]3C1OC(=O)[C@H]2C)C	InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14?/m0/s1	C15H18O3	246.302	3	0	43.37	3	0	0	1.2966	2.50587	2.78	1.131	68.1954	69.425	1.9004	246.751697284884
Cond-000321	Lidocaine	Lidocaine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.8707145389	CCN(CC)CC(=O)Nc1c(C)cccc1C	InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)	C14H22N2O	234.337	3	1	32.34	1	6	0	1.166	2.91163	2.67	2.848	45.8867	73.8917	2.0589	247.681697075828
Cond-000322	Limonin, from Grapefruit	Limonin, from Grapefruit	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.079001228	[C@H]12CC(=O)OC[C@]31[C@@H](CC(=O)[C@]1(C)[C@@H]3CC[C@@]3(C)[C@@H](OC(=O)C4O[C@@]134)c1cocc1)C(C)(C)O2	InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20?,23-,24-,25+,26+/m0/s1	C26H30O8	470.512	8	0	104.57	7	1	0	-0.448399999999998	3.03019	3.44	1.644	98.3224	116.623	3.2664	417.996368168225
Cond-000323	Lipoxamycin	Lipoxamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.0977328039	CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)C(N)CO	InChI=1S/C19H36N2O5/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22/h15,18,22,26H,3-14,20H2,1-2H3	C19H36N2O5	372.5	7	4	120.93	0	17	1	-3.4391	2.45289	2.78	1.218	91.7064	102.8257	3.1498	395.215444409008
Cond-000324	Lividomycin A sulfate salt	Lividomycin A sulfate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.372274784	[C@H]1(OC2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC3O[C@H](CO)[C@@H](O)CC3N)[C@@H]2O)O[C@@H](CN)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1N	InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9?,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24?,25-,26?,27-,28-,29+/m1/s1	C29H55N5O18	761.77	23	20	406.24	5	12	3	-10.5437	-10.0083	2.12	-8.641	161.6514	167.631	5.20730000000002	661.565600997866
Cond-000325	Loperamide hydrochloride	Loperamide hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.6450621237	Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1	InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H	C29H34Cl2N2O2	513.498	4	1	43.78	4	8	1	-1.0733	4.74809000000001	4.1	8.4	59.2482	139.5298	3.7697	456.434632627625
Cond-000326	Lovastatin	Lovastatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	57.5302811	[C@H]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1	C24H36O5	404.54	5	1	72.83	3	7	0	-0.0992000000000004	4.28177000000001	3.55	4.574	105.6455	113.5408	3.2859	419.996012318808
Cond-000327	Loxapine succinate salt	Loxapine succinate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	39.2684293647	OC(=O)CCC(=O)O.CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2	InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)	C22H24ClN3O5	445.896	4	0	28.07	4	1	0	0.2755	4.16988	2.89	4.308	43.3768	96.111	2.3899	287.194711353096
Cond-000328	Luteolin	Luteolin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.256684492	Oc1cc(O)c2c(=O)cc(oc2c1)c1ccc(O)c(O)c1	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	C15H10O6	286.236	6	4	107.22	3	1	0	-2.3448	2.41167	2.45	1.033	26.7947	76.4992	1.9045	240.776542583367
Cond-000329	M010001 YR21118	M010001 YR21118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	71.9920450779	COc1c(cccc1)N1C(=O)CC(N2CCCCC2)C1=O	InChI=1S/C16H20N2O3/c1-21-14-8-4-3-7-12(14)18-15(19)11-13(16(18)20)17-9-5-2-6-10-17/h3-4,7-8,13H,2,5-6,9-11H2,1H3	C16H20N2O3	288.342	5	0	49.85	3	3	0	-1.76	2.57398	2.67	1.722	48.628	82.983	2.1979	272.504743626284
Cond-000330	M010012 YR24101A	M010012 YR24101A	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0990052108	COc1c(cccc1)N1C(=O)c2c(cccc2)C1=O	InChI=1S/C15H11NO3/c1-19-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(16)18/h2-9H,1H3	C15H11NO3	253.253	4	0	46.61	3	2	0	-0.8101	2.99128	2.67	3.462	19.6988	74.0215	1.8282	225.40262268985
Cond-000331	M010013 YR24101B	M010013 YR24101B	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.9657433494	COc1c(cccc1)N1C(=O)c2c(nccc2)C1=O	InChI=1S/C14H10N2O3/c1-19-11-7-3-2-6-10(11)16-13(17)9-5-4-8-15-12(9)14(16)18/h2-8H,1H3	C14H10N2O3	254.241	5	0	59.5	3	2	0	-0.8101	2.38628	2.45	2.032	19.6988	71.8165	1.7871	219.10339827215
Cond-000332	M010014 YR24105D	M010014 YR24105D	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.3247650153	COc1c(cccc1)N1C(=O)CC2(CCCC2)CC1=O	InChI=1S/C16H19NO3/c1-20-13-7-3-2-6-12(13)17-14(18)10-16(11-15(17)19)8-4-5-9-16/h2-3,6-7H,4-5,8-11H2,1H3	C16H19NO3	273.327	4	0	46.61	3	2	0	-1.5615	3.66998	2.78	3.33	46.9717	79.289	2.0981	261.507983418117
Cond-000333	M010015 YR24106E	M010015 YR24106E	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5353518706	COc1c(cccc1)N1C(=O)CC(C1=O)c1ccccc1	InChI=1S/C17H15NO3/c1-21-15-10-6-5-9-14(15)18-16(19)11-13(17(18)20)12-7-3-2-4-8-12/h2-10,13H,11H2,1H3	C17H15NO3	281.306	4	0	46.61	3	3	0	-0.92	3.50328	2.89	4.26	27.8696	82.9540000000001	2.11	259.994591941584
Cond-000334	MMS	MMS	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	S(=O)(=O)(OC)C	InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3	C2H6O3S	110.132	3	0	51.75	0	1	0	-0.1882	-0.0938	1.24	-0.869	21.3852	14.9925	0.73	88.0281321118167
Cond-000335	Mebendazole	Mebendazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.2864096324	COC(=O)Nc1nc2c([nH]1)ccc(c2)C(=O)c1ccccc1	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	C16H13N3O3	295.293	6	2	84.08	3	5	0	-0.6659	3.09357	2.56	4.282	23.1355	86.5662	2.1257	251.155669031251
Cond-000336	Meclizine	Meclizine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	20.7003377263	Cc1cc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)ccc1	InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3	C25H27ClN2	390.948	2	0	6.48	4	5	1	1.4203	4.57792	3.88	8.253	43.8726	114.208	3.1317	372.306699423836
Cond-000337	Mefenamic acid	Mefenamic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.167113992	Cc1cccc(Nc2ccccc2C(=O)O)c1C	InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	C15H15NO2	241.285	3	2	49.33	2	3	1	0.6238	3.80763	2.78	5.011	21.5235	73.9365000000001	1.9211	231.605313390889
Cond-000338	Melatonin	Melatonin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.1128474446	COc1cc2c([nH]cc2CCNC(=O)C)cc1	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	C13H16N2O2	232.278	4	2	54.12	2	5	0	-0.8299	2.01228	2.45	1.342	32.6457	71.9547	1.8251	213.283021748923
Cond-000339	Melphalan	Melphalan	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.353272704	N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O	InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1	C13H18Cl2N2O2	305.2	4	3	66.56	1	8	0	0.4638	2.15889	2.23	0.515000000000001	52.6076	82.6532	2.2215	269.598074691389
Cond-000340	Menatetrenone	Menatetrenone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.3778725781	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2c(cccc2)C1=O)/C)/C)/C)C	InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+	C31H40O2	444.648	2	0	34.14	2	11	2	5.765	8.51724000000001	4.65	9.23	120.6832	142.4955	3.9467	500.334931094192
Cond-000341	Menatetrenone	Vitamin K2 (20)	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.56314274	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2c(cccc2)C1=O)/C)/C)/C)C	InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+	C31H40O2	444.648	2	0	34.14	2	11	2	5.765	8.51724000000001	4.65	9.23	120.6832	142.4955	3.9467	500.334931094192
Cond-000342	Menomycin	Moenomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	71.3774048301	C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](O[C@H]3[C@@H](OP(=O)(O)OC[C@@H](O)C(=O)OCC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)O[C@H](C(=O)O)[C@@](C)(O)[C@@H]3OC(=O)N)[C@H](NC(=O)C)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O	InChI=1S/C70H109N4O35P/c1-31(2)16-14-18-33(4)20-21-34(5)24-26-69(9,10)25-13-12-17-32(3)19-15-27-97-62(92)40(80)29-99-110(95,96)109-67-57(58(108-68(71)93)70(11,94)59(107-67)61(90)91)106-64-45(73-37(8)77)48(83)55(42(102-64)30-98-65-52(87)49(84)46(81)41(28-75)101-65)104-63-44(72-36(7)76)47(82)54(35(6)100-63)103-66-53(88)50(85)51(86)56(105-66)60(89)74-43-38(78)22-23-39(43)79/h13,16,19-20,25,35,40-42,44-59,63-67,75,78,80-88,94H,5,12,14-15,17-18,21-24,26-30H2,1-4,6-11H3,(H2,71,93)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,95,96)/b25-13+,32-19+,33-20+/t35-,40-,41-,42-,44-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59-,63+,64+,65-,66-,67-,70+/m1/s1	C70H109N4O35P	1597.59	39	19	611.69	6	42	3	-3.8549	-3.42886999999998	4.76	1.115	370.4036	369.4247	11.4193	1482.33489595659
Cond-000343	Menthol	Menthol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1	C10H20O	156.265	1	1	20.23	1	1	0	0.656299999999999	2.4395	2.45	3.211	44.9238	47.3498	1.4677	177.950072959228
Cond-000344	Mepirizole	Mepirizole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.892225422	COc1cc(C)nn1c1nc(C)cc(OC)n1	InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3	C11H14N4O2	234.254	6	0	61.54	2	3	0	0.7886	2.48992	2.01	1.803	28.9946	64.676	1.7429	200.684572913523
Cond-000345	Mestranol	Mestranol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.468881349	[C@@H]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(OC)cc3	InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1	C21H26O2	310.43	2	1	29.46	4	1	1	1.0126	3.99519000000001	3.55	5.186	65.5568	90.7488000000001	2.5355	315.844460937924
Cond-000346	Methotrexate	Methotrexate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	79.9573398339	[C@H](CCC(=O)O)(NC(=O)c1ccc(cc1)N(C)Cc1nc2c(N)nc(N)nc2nc1)C(=O)O	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1	C20H22N8O5	454.439	13	7	210.54	3	10	1	-2.8974	1.37836	2.23	-2.583	54.4148	123.8716	3.2197	387.630944575074
Cond-000347	Metolazone	Metolazone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.3435413016	CC1Nc2c(cc(c(Cl)c2)S(=O)(=O)N)C(=O)N1c1ccccc1C	InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)	C16H16ClN3O3S	365.835	6	3	100.88	3	2	0	-0.1321	2.93591	2.34	2.547	41.4566	91.1001	2.4976	301.048678260884
Cond-000348	Mezzanomycin	Mezzanomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000349	Micafungin	Micafungin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	S(=O)(=O)(Oc1cc([C@H](O)[C@@H](O)[C@@H]2NC(=O)[C@H]3N(C[C@H](O)C3)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3ccc(cc3)c3noc(c3)c3ccc(OCCCCC)cc3)C[C@@H](O)[C@@H](O)NC(=O)[C@H]3N(C[C@@H]([C@@H]3O)C)C(=O)[C@@H](NC2=O)[C@H](O)CC(=O)N)[C@H](O)C)ccc1O)O	InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1	C56H71N9O23S	1270.27	32	17	518.52	7	19	3	-12.336	-3.17101999999998	3.99	0.643999999999993	198.5973	309.978899999999	8.83360000000003	1116.59875157254
Cond-000350	Miconazole	Miconazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.1018003606	Clc1cc(Cl)c(COC(Cn2ccnc2)c2c(Cl)cc(Cl)cc2)cc1	InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	C18H14Cl4N2O	416.129	3	0	27.05	3	6	0	2.8091	6.17939	2.67	4.911	39.8018	102.188	2.7229	320.651154456229
Cond-000351	Miconazole nitrate	Miconazole nitrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.2792297111	ON(=O)=O.Clc1cc(Cl)c(COC(Cn2ccnc2)c2c(Cl)cc(Cl)cc2)cc1	InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)	C18H15Cl4N3O4	479.141	3	0	27.05	3	6	0	2.8091	6.17939	2.67	4.911	39.8018	102.188	2.7229	320.651154456229
Cond-000352	Midecamycin	Midecamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.4976003657	CCC(=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](OC2C(CC=O)CC(C)C(O)/C=C\C=C\CC(C)OC(=O)CC(OC(=O)CC)C2OC)[C@H](O)[C@H]1N(C)C	InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15-/t23?,24?,25-,26-,27?,28?,29?,33+,34-,35-,36-,37?,38?,39-,40+,41-/m1/s1	C41H67NO15	813.968	16	3	206.05	3	14	2	-1.2438	2.85367000000001	4.21	2.127	204.6082	208.007399999999	6.28200000000002	807.653860770714
Cond-000353	Minomycin	Minomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.0532132624	[C@@H]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]1C2)C(=O)N)N(C)C	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1	C23H27N3O7	457.476	10	6	164.63	4	3	0	-2.7931	0.799960000000001	2.89	0.342	94.18	121.1281	3.2812	419.468468214563
Cond-000354	Mitomycin	Mitomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O([C@@]12N(C[C@@H]3N[C@H]13)C1=C([C@H]2COC(=O)N)C(=O)C(=C(C1=O)C)N)C	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1	C15H18N4O5	334.327	9	5	146.89	4	4	0	-1.8914	-2.20083	2.12	-1.386	80.8988	82.4245	2.2654	293.326274117073
Cond-000355	Mitomycin C	Mitomycin C	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.215678331	CO[C@]12C3NC3CN1C1=C([C@H]2COC(=O)N)C(=O)C(=C(C)C1=O)N	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7?,13?,15-/m1/s1	C15H18N4O5	334.327	9	5	146.89	4	4	0	-1.8914	-2.20083	2.12	-1.386	80.8988	82.4245	2.2654	293.326274117073
Cond-000356	Molsidomine	Molsidomine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.9386448059	CCOC(=O)[N-]c1c[n+](no1)N1CCOCC1	InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3	C9H14N4O4	242.232	8	0	68.68	2	5	0	-1.4238	-0.51742	1.57	-0.321	43.7683	58.247	1.6645	199.845974464511
Cond-000357	Monensin	Monensin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.729528536	CC[C@]1(CC[C@]2(C[C@H](O)[C@@H](C)C(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)O1)C1CC[C@](C)(O1)C1OC(C[C@@H]1C)C1O[C@@](O)(CO)[C@H](C)C[C@@H]1C	InChI=1S/C36H62O11/c1-10-34(13-14-35(47-34)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40)27-11-12-33(8,44-27)31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26?,27?,28?,29+,30?,31?,33-,34-,35+,36-/m0/s1	C36H62O11	670.871	11	4	153.37	5	10	1	-2.18420000000001	4.50679000000001	4.21	3.368	161.5581	175.5442	5.24070000000001	663.485646733371
Cond-000358	Morantel citrate monohydrate	Morantel citrate monohydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.8137535817	CN1CCCN=C1/C=C/c1c(C)ccs1	InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+	C12H16N2S	220.334	2	0	43.84	2	2	0	0.7304	2.29301	2.45	3.164	50.0836	66.561	1.7733	210.452066480334
Cond-000359	Morin	Morin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.3931087486	Oc1ccc(c(O)c1)c1c(O)c(=O)c2c(O)cc(O)cc2o1	InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H	C15H10O7	302.236	7	5	127.45	3	1	0	-2.8012	2.29737	2.34	0.952	28.4753	78.071	1.9632	249.566769283928
Cond-000360	Moxisylyte hydrochloride	Moxisylyte hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.0095267207	[Cl-].CC(C)c1c(OCC[NH+](C)C)cc(C)c(OC(=O)C)c1	InChI=1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H	C16H26ClNO3	315.836	4	1	39.97	1	7	0	-0.236499999999998	2.5768	2.78	3.124	53.9229	86.2837000000001	2.3798	290.175588870918
Cond-000361	Mucopeptin B	Mucopeptin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000362	Mucopeptin C	Mucopeptin C	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-000363	Mupirocin	Mupirocin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	61.0817841022	[C@@H](C)(O)[C@H](C)[C@@H]1OC1C[C@H]1CO[C@@H](C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](O)[C@@H]1O	InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21?,24+,25-,26-/m0/s1	C26H44O9	500.622	9	4	146.05	2	17	1	-2.9883	2.75258	3.33	2.451	117.3531	131.6272	3.9541	504.741805774386
Cond-000364	Mycophenolic acid	Mycophenolic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	35.3977806556	COc1c(C)c2c(C(=O)OC2)c(O)c1C/C=C(\C)/CCC(=O)O	InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	C17H20O6	320.337	6	2	93.06	2	6	0	1.1432	3.2542	2.67	1.721	62.3755	88.9783	2.3809	303.897887937501
Cond-000365	N-Acetyl-D-glucosamine	N-Acetyl-D-glucosamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.899629782	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1	C8H15NO6	221.208	7	5	127.09	0	7	0	-2.9552	-3.00111	1.57	-3.116	47.6469	52.0179	1.6018	205.389538717667
Cond-000366	N-Acetyl-D-mannosamine	N-Acetyl-D-mannosamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.299098273	CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1	C8H15NO6	221.208	7	5	127.09	0	7	0	-2.9552	-3.00111	1.57	-3.116	47.6469	52.0179	1.6018	205.389538717667
Cond-000367	N-Acetyl-L-cysteine	N-Acetyl-L-cysteine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.1498158002	CC(=O)N[C@@H](CS)C(=O)O	InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1	C5H9NO3S	163.195	4	2	105.2	0	4	0	-0.4992	-0.26061	1.46	-0.133	36.8118	42.3365	1.1665	145.639928795983
Cond-000368	N-Acetyl-S-farnesyl-L-cysteine	N-Acetyl-S-farnesyl-L-cysteine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	67.2636103152	CC(=O)NC(CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)O	InChI=1S/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-25-14-19(20(23)24)21-18(5)22/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3,(H,21,22)(H,23,24)/b16-10+,17-12+	C20H33NO3S	367.546	4	2	91.7	0	13	1	3.6126	4.74056	3.11	4.811	108.5642	110.4115	3.151	397.170322081586
Cond-000369	N-Phenylanthranilic acid	N-Phenylanthranilic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	88.7126483831	OC(=O)c1ccccc1Nc1ccccc1	InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)	C13H11NO2	213.232	3	2	49.33	2	3	0	-0.6602	3.69688	2.56	4.576	10.5193	66.3905	1.6393	197.013344139156
Cond-000370	NDGA	NDGA	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	34.0257879656	CC(Cc1cc(O)c(O)cc1)C(C)Cc1cc(O)c(O)cc1	InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	C18H22O4	302.365	4	4	80.92	2	5	1	-0.932000000000001	3.93699000000001	3	5.058	36.8382	87.6984	2.4044	292.713419162246
Cond-000371	NP1	NP1	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	61.356097561	[C@@H]12C3C(=C[C@H](O)[C@H]2O)CC[N@+]3(C)Cc2c1cc1OCOc1c2	InChI=1S/C17H20NO4/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3/q+1/t12-,15-,16?,17+,18+/m0/s1	C17H20NO4+	302.345	5	2	58.92	5	0	0	-2.4712	0.980680000000002	2.78	0.0120000000000001	54.2692	79.5980000000001	2.145	266.835965394145
Cond-000372	NP10	NP10	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.5214723926	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)C(=O)C=C3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C29H42O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h14,16-17,19-21,23-24,26H,6-13,15H2,1-5H3/t16?,17-,19-,20?,21?,23?,24?,26?,27-,28+,29+/m0/s1	C29H42O5	470.641	5	0	61.83	6	2	0	0.609699999999992	5.62378000000001	4.1	4.698	122.9172	130.611	3.7076	472.043018046542
Cond-000373	NP100	NP100	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	63.3203526292	CNC(CC(C)C)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5)C(O[C@H]5C[C@](C)(N)[C@@H](O)[C@@H](C)O5)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c1cc(c(O)cc1)c1c(cc(O)cc1O)C(NC5=O)C(=O)O)c3O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@@H](C)O1)c(Cl)c2	InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39?,40?,46+,48+,49+,51?,52?,53?,54?,55?,56?,57+,58-,59?,61+,62+,63+,71+,72+,73+/m1/s1	C73H89ClN10O26	1557.99	36	23	574.97	9	16	3	-11.6289	-0.306029999999999	5.42	-0.351999999999999	246.8442	387.7433	10.8573	1373.82830462857
Cond-000374	NP101	NP101	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	87.8319834244	CCC(C)C(=O)O[C@H]1C(O)C2C(CN3C[C@@H](C)CCC3[C@@]2(C)O)C2C[C@@]34O[C@@]5(O)C(C[C@@H](O)C3[C@]12O)C4(C)CCC5OC(=O)C(C)(O)C(C)O	InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18?,19?,20?,21?,22+,23?,24?,25?,26?,27?,28?,29-,32?,33?,34+,35+,36-,37-/m0/s1	C37H59NO12	709.864	13	7	206.68	7	8	2	-5.0205	0.699490000000006	4.1	0.421	167.0347	178.8996	5.27990000000001	673.219242165565
Cond-000375	NP102	NP102	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.2610316076	[C@@H]1(CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1	C15H20N2O2	260.331	4	2	58.2	2	4	0	-0.6929	1.49229	2.67	4.954	45.1136	76.7054	2.1069	258.774991000656
Cond-000376	NP104	NP104	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.3101229723	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(OC)c(=O)cc12)N(C)Cc1c(O)cccc1	InChI=1S/C28H31NO6/c1-29(16-18-8-6-7-9-22(18)30)21-12-10-17-14-25(33-3)27(34-4)28(35-5)26(17)19-11-13-24(32-2)23(31)15-20(19)21/h6-9,11,13-15,21,30H,10,12,16H2,1-5H3/t21-/m0/s1	C28H31NO6	477.549	7	1	77.46	4	7	0	-0.621499999999999	4.27696000000001	3.77	3.159	89.4238	137.51	3.6414	458.991726825403
Cond-000377	NP105	NP105	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.5222444118	CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4C1[C@@]3(C1C[C@]3(O)[C@H](OC(=O)c5ccccc5)C1[C@]4(OC(=O)C)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC	InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21+,22?,23+,24+,25?,26?,27+,28-,29+,31+,32+,33+,34-/m1/s1	C34H47NO11	645.737	12	3	153.45	7	11	2	-2.8287	-3.9608	3.88	-0.164	161.3809	109.7749	7.75270000000001	593.731685485007
Cond-000378	NP106	NP106	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	36.4192880015	COc1c(CC2OC2(C)C)c2c(ccc(=O)o2)cc1	InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3	C15H16O4	260.285	4	0	48.06	3	3	0	0.670199999999999	3.40006	2.67	2.612	47.5014	76.622	1.9161	242.005465284645
Cond-000379	NP107	NP107	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	15.381595092	[C@H]12C(C[C@H]3C4CC=C5CC(O)CC[C@]5(C)[C@H]4CC[C@]13C)OC1(CCC(C)CN1)[C@H]2C	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19?,20?,21-,22-,23?,24-,25-,26-,27?/m0/s1	C27H43NO2	413.636	3	2	41.49	6	0	1	0.0107999999999982	5.21309000000001	4.1	5.845	115.8683	119.4815	3.4355	427.350046302892
Cond-000380	NP108	NP108	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.6677895142	CC(=O)O[C@H]1CC2(C)CN3C4C[C@]56CC(=C)C7[C@@H](O)C5C(C1)(C24)[C@@H]3[C@@]6(O)[C@@H]7O	InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12?,13?,14+,15?,16?,17+,18+,19?,20+,21?,22-/m0/s1	C22H29NO5	387.469	6	3	90.23	4	2	0	-1.8542	-2.01901	3.22	0.25	98.1627	65.9134	4.6579	352.24788587364
Cond-000381	NP109	NP109	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	60.4780487805	COc1c(OC)c2c(cc1)c(OC)c1ccoc1n2	InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3	C14H13NO4	259.257	5	0	53.72	3	3	0	-0.3095	3.41199	2.45	1.624	23.5665	72.212	1.832	211.269782166145
Cond-000382	NP11	NP11	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.7464682614	COC(=O)CC[C@]1(C)[C@@H](COc2cc3c(ccc(=O)o3)cc2)C(=CC[C@H]1C(=C)C)C	InChI=1S/C25H30O5/c1-16(2)20-10-6-17(3)21(25(20,4)13-12-23(26)28-5)15-29-19-9-7-18-8-11-24(27)30-22(18)14-19/h6-9,11,14,20-21H,1,10,12-13,15H2,2-5H3/t20-,21-,25-/m0/s1	C25H30O5	410.503	5	0	61.83	3	8	1	2.4734	5.51995000000001	3.66	5.506	93.6399	119.833	3.2548	415.846162141475
Cond-000383	NP110	NP110	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.8235072518	[C@@H]12C[C@@]34O[C@@]5(O)C(C[C@@H](O)C3[C@]1(O)[C@@H](OC(=O)C(C)CC)C(O)[C@H]1C2CN2CC(C)CC[C@H]2[C@@]1(C)O)C4(C)CCC5OC(=O)C(C)(O)C(C)OC(=O)C	InChI=1S/C39H61NO13/c1-9-19(3)32(44)52-31-29(43)28-22(17-40-16-18(2)10-11-26(40)36(28,8)47)23-15-37-30(38(23,31)48)24(42)14-25-34(37,6)13-12-27(39(25,49)53-37)51-33(45)35(7,46)20(4)50-21(5)41/h18-20,22-31,42-43,46-49H,9-17H2,1-8H3/t18?,19?,20?,22?,23-,24+,25?,26-,27?,28+,29?,30?,31-,34?,35?,36+,37+,38-,39-/m0/s1	C39H61NO13	751.901	14	6	212.75	7	10	2	-4.6414	1.27029000000001	4.21	1.161	176.1862	188.4468	5.57740000000002	713.964979417059
Cond-000384	NP111	NP111	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	62.6536585366	COc1c(OC)c2c(CC(=O)c3c(CCN(C)C2)cc2OCOc2c3)cc1	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3	C21H23NO5	369.411	6	0	57.23	4	2	0	-0.241	3.53098	3.11	1.933	54.4698	106.837	2.7254	337.038983846174
Cond-000385	NP113	NP113	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.2821750245	[C@H]12Cc3c(c(O)c(OC)cc3)c3c1c(CCN2C)cc(OC)c3OC	InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1	C20H23NO4	341.401	5	1	51.16	4	3	0	-0.221000000000001	3.3027	3.11	1.718	50.534	98.769	2.5688	313.589231220546
Cond-000386	NP114	NP114	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.7689036481	[C@@H](C)(CCCC(C)C)CCC[C@@H](C)CCC[C@@H]1CCc2c(C)c(O)c(C)c(C)c2O1	InChI=1S/C28H48O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-25-17-18-26-24(7)27(29)22(5)23(6)28(26)30-25/h19-21,25,29H,8-18H2,1-7H3/t20-,21-,25-/m1/s1	C28H48O2	416.68	2	1	29.46	2	12	2	2.0013	8.58976	4.32	10.521	97.1087	131.495	3.825	466.902188122192
Cond-000387	NP115	NP115	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.437800129	C[C@]12CC[C@@](C)(CC1C1=CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O	InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20?,21?,23-,26+,27-,28-,29+,30+/m0/s1	C30H46O3	454.684	3	2	57.53	5	1	1	2.47049999999999	7.23997000000001	4.43	7.661	134.4863	135.3606	3.8397	484.115007972087
Cond-000388	NP116	NP116	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	52.426993865	CC1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@@]21CCC(C)CN2	InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18?,21?,22?,23?,24?,25?,26?,27-,28-,29+/m0/s1	C29H45NO3	455.672	4	1	47.56	6	2	1	0.389899999999999	6.01778000000001	4.21	6.585	125.0198	132.2717	3.733	468.095783554387
Cond-000389	NP118	NP118	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	13.8258310328	[C@H](C)(CCc1ccc(C)c(O)c1C(=O)O[Na])[C@@H](O)[C@@H](C)C(=O)[C@@H](CC)[C@@H]1O[C@](CC)(C[C@H]1C)[C@@H]1CC[C@@](O)(CC)[C@@H](C)O1	InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m0./s1	C34H53NaO8	612.77	8	3	122.52	3	14	2	-2.06730000000001	5.49761000000001	4.21	6.496	130.1913	170.5526	4.74090000000001	NA
Cond-000390	NP12	NP12	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.6701827086	[C@H]1(CCC(=O)OC)C(=C(C)C)CC[C@H](C)[C@]1(C)COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C25H32O5/c1-16(2)20-10-6-17(3)25(4,21(20)11-13-23(26)28-5)15-29-19-9-7-18-8-12-24(27)30-22(18)14-19/h7-9,12,14,17,21H,6,10-11,13,15H2,1-5H3/t17-,21-,25-/m0/s1	C25H32O5	412.519	5	0	61.83	3	7	1	2.3824	5.81776000000001	3.66	5.665	92.4933	120.197	3.2978	418.482620842275
Cond-000391	NP121	NP121	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	81.9710786555	CC1OC(OC2C(O)C(O)COC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)CCC5(CC[C@@]43C)C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O	InChI=1S/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3/t24?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,55-,56+,57+,58?/m0/s1	C58H94O25	1191.35	25	14	392.59	10	13	3	-5.2408	-1.74521999999999	5.09	2.787	282.8142	284.986199999999	8.57630000000004	1102.6417301055
Cond-000392	NP122	NP122	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.1555848559	CN1C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3	C17H23NO4	305.369	5	2	70	3	5	0	-2.0949	1.13559	2.78	2.508	50.6758	84.5886	2.3407	290.230653445345
Cond-000393	NP123	NP123	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.8751224407	CC(C)c1cc2c(cc1)[C@@]1(C)CCC[C@](C)(C1CC2)C(=O)O	InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19-,20-/m1/s1	C20H28O2	300.435	2	1	37.3	3	2	1	0.9014	5.13879000000001	3.44	7.946	63.4716	92.5308000000001	2.5462	313.541393713657
Cond-000394	NP124	NP124	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	94.168239482	[C@H]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@H]1C[C@@H]1N(CCc3c1[nH]c1c3ccc(OC)c1)C2	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1	C33H40N2O9	608.679	11	1	117.78	6	10	0	-0.864199999999998	3.72168000000001	3.88	2.783	103.2578	164.404	4.4476	549.862631563785
Cond-000395	NP125	NP125	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	37.112195122	COc1c(OC)c2c(cc1)cc1c3c(CC[n+]1c2)cc1OCOc1c3	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	C20H18NO4+	336.361	5	0	40.8	5	2	0	-1.583	4.14628	3.11	2.896	31.2677	97.516	2.3957	286.378084468546
Cond-000396	NP126	NP126	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.7360987464	COc1ccc(C(=O)CC(=O)O)c2c1C=CC(C)(C)O2	InChI=1S/C15H16O5/c1-15(2)7-6-10-12(19-3)5-4-9(14(10)20-15)11(16)8-13(17)18/h4-7H,8H2,1-3H3,(H,17,18)	C15H16O5	276.285	5	1	72.83	2	4	0	0.3872	3.08877	2.56	2.072	50.136	77.5603000000001	2.0404	260.515691985206
Cond-000397	NP127	NP127	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.5238072485	[C@@H]12Cc3ccc(Oc4c(O)c(OC)cc5c4[C@@H](Cc4ccc(O)c(Oc6c(OC)cc(CC[N+]1(C)C)c2c6)c4)[N+](C)(C)CC5)cc3	InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2/t29-,30+/m0/s1	C38H44N2O6++	624.766	8	2	77.38	6	2	0	-3.2526	7.59027999999999	4.76	4.678	80.6404	181.849599999999	4.78140000000001	581.442498489034
Cond-000398	NP129	NP129	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.1214918064	CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(=O)C[C@]12C	InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1	C23H28O6	400.465	6	1	97.74	4	4	0	-0.369700000000001	2.42287	3.33	0.919	105.4631	106.2988	3.0091	393.860878291102
Cond-000399	NP13	NP13	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	81.3743653906	[C@H]1(O)CCC23CC[C@@H]4c5c(CC[N+]4(C)C)cc(OC)c(O[C@@]1(C2)OC)c35	InChI=1S/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1/t14-,16+,20?,21-/m1/s1	C21H30NO4+	360.467	5	1	47.92	5	2	0	-2.5295	2.3392	3.22	1.492	71.509	96.7742000000001	2.7516	338.656362598413
Cond-000400	NP130	NP130	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	99.2083924833	CCN1C[C@]2(COC(=O)c3c(N)cccc3)CC[C@H](OC)C34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)C(O)([C@@H](OC)C23)[C@H]14	InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28-,29+,30-,31?,32?/m1/s1	C32H46N2O8	586.716	10	4	132.94	7	9	0	-3.8261	1.68629	3.88	2.246	124.108	155.575	4.3544	546.402255040557
Cond-000401	NP131	NP131	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.6296198963	CC1(CO)C(O)CC[C@]2(C)C(C/C=C/3\C(O)COC3=O)C(=C)CCC12	InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14?,15?,16?,17?,19-,20?/m1/s1	C20H30O5	350.449	5	3	86.99	3	3	0	-0.3281	2.04887	3.11	2.913	93.9955	96.2634000000001	2.7653	353.448532516141
Cond-000402	NP132	NP132	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	58.5230666316	NC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9+,10-,11-,12+,13-,14-,15-,16-,17+,18+,19+,20-,21+,22-,23-/m1/s1	C23H45N5O14	615.629	19	18	347.32	4	9	2	-9.0195	-8.8617	1.9	-6.847	132.289	136.3874	4.23570000000001	534.985245141224
Cond-000403	NP133	NP133	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.710491618	COc1cc2c(CC3N(C)CCc4c3c2c(OC)c(OC)c4)cc1Oc1cc(OC)c(OC)cc1CC1N(C)CCc2cc(OC)c(OC)cc12	InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3	C41H48N2O8	696.828	10	0	80.32	7	11	1	0.272699999999998	6.46748	4.87	4.842	104.8737	197.036999999999	5.27850000000001	648.274447066955
Cond-000404	NP134	NP134	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	104.012055001	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1	C21H28O5	360.444	5	2	91.67	4	2	0	-1.0127	2.14988	3.22	0.14	95.4827	97.1156000000001	2.7546	355.751599740408
Cond-000405	NP135	NP135	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.1732335562	[C@@H]12C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1C(=C[C@H]2OC1OC(C)C(O)C(OC(=O)C)C1OC(=O)/C=C/c1ccc(OC)cc1)CO	InChI=1S/C33H42O16/c1-15-25(38)29(45-16(2)36)30(48-23(37)9-6-17-4-7-19(42-3)8-5-17)33(44-15)46-21-12-18(13-34)24-20(21)10-11-43-31(24)49-32-28(41)27(40)26(39)22(14-35)47-32/h4-12,15,20-22,24-35,38-41H,13-14H2,1-3H3/b9-6+/t15?,20-,21+,22+,24+,25?,26+,27-,28+,29?,30?,31-,32-,33?/m0/s1	C33H42O16	694.677	16	6	229.36	5	13	3	-3.771	-1.20244	3.33	0.311999999999999	138.7513	165.3318	4.81050000000001	626.193615452978
Cond-000406	NP136	NP136	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.8552147239	OC(=O)C1CC[C@@](C(=O)O)(c2ccccc2)c2ccccc12	InChI=1S/C18H16O4/c19-16(20)14-10-11-18(17(21)22,12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,19,20)(H,21,22)/t14?,18-/m1/s1	C18H16O4	296.317	4	2	74.6	3	3	1	-0.6761	3.02049	3	5.452	29.9979	83.2206000000001	2.2098	275.084043059845
Cond-000407	NP137	NP137	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.406479563	COC1/C=C\OC2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)/C(=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)/C)c(C=O)c2O	InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-	C38H47NO13	725.779	14	6	218.38	3	4	1	-1.4596	5.32986000000001	4.1	2.488	150.0882	197.4826	5.37530000000001	688.210242586393
Cond-000408	NP138	NP138	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	91.0058391411	[C@@H]12CCC3[C@@H](C)[C@@H]4CC[C@H](C)CN4C[C@H]3[C@@H]1C[C@H]1[C@H]2C[C@@H](O)[C@H]2C[C@H](CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C33H55NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3/t16-,17+,18-,19?,20+,21+,22-,23+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33+/m0/s1	C33H55NO7	577.792	8	5	122.85	7	3	0	-3.2874	2.38740000000001	4.21	4.437	143.4545	152.426	4.5088	565.357087560896
Cond-000409	NP139	NP139	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	11.9358769143	COc1c(OC)cc2C3C(COc2c1)Oc1c2CC(Oc2ccc1C3=O)C(=C)C	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3	C23H22O6	394.417	6	0	63.22	5	3	0	0.152699999999997	4.59946	3.33	2.076	59.2591	112.778	2.8145	354.431502188702
Cond-000410	NP14	NP14	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.734739709	[C@H](CCN)(NC(=O)CCCCC(C)CC)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCN)NC1=O)C(C)O)C(C)O	InChI=1S/C51H96N16O14/c1-8-27(4)11-9-10-12-38(71)58-31(13-19-52)46(76)66-40(29(6)69)50(80)63-34(16-22-55)43(73)61-36-18-24-57-49(79)39(28(5)68)65-47(77)35(17-23-56)60-42(72)33(15-21-54)62-51(81)41(30(7)70)67-48(78)37(25-26(2)3)64-44(74)32(14-20-53)59-45(36)75/h26-37,39-41,68-70H,8-25,52-56H2,1-7H3,(H,57,79)(H,58,71)(H,59,75)(H,60,72)(H,61,73)(H,62,81)(H,63,80)(H,64,74)(H,65,77)(H,66,76)(H,67,78)/t27?,28?,29?,30?,31-,32-,33-,34-,35-,36-,37+,39-,40-,41-/m1/s1	C51H96N16O14	1157.41	30	24	510.89	1	32	3	-14.9003	-6.87280999999999	3.77	-0.0459999999999993	268.4108	300.954099999999	9.13150000000004	1148.30550734892
Cond-000411	NP140	NP140	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.2635643993	C12C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=CC1(O)C(O)C[C@]2(C)O	InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7?,8-,9+,10-,11?,12?,13?,14+,15?/m1/s1	C15H24O10	364.345	10	7	169.3	3	3	1	-3.8944	-3.53801	2.01	-2.081	78.0196	78.2826000000001	2.4403	316.192660291212
Cond-000412	NP141	NP141	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	102.566676553	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	C10H13N5O4	267.241	9	5	139.54	3	2	0	-2.2791	-1.45601	1.57	-1.809	34.5164	64.3148	1.7536	202.245801896945
Cond-000413	NP142	NP142	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.3018214191	C[C@@]12CN3C4C[C@@]56CC(=C)[C@H]7[C@@H](O)C5[C@@H]3C(C[C@@H](O)C1)(C24)C6[C@@H]7O	InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10?,11-,12?,13+,14+,15?,16?,17+,18-,19-,20?/m0/s1	C20H27NO3	329.433	4	3	63.93	4	0	0	-1.7942	0.690190000000001	3.22	0.202	86.9464	86.5734000000001	2.3993	302.711921921585
Cond-000414	NP143	NP143	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	99.6737468915	CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@H](CC23)[C@@]12C[C@H]([C@@H](O)CC41)C(=C)[C@H]2O	InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13-,14-,15?,16?,17-,18+,19+,20-,21-,22-/m0/s1	C22H33NO3	359.502	4	3	63.93	6	1	0	-1.6209	1.71799	3.44	1	96.1906	97.9434000000001	2.7897	349.660349874119
Cond-000415	NP144	NP144	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.5226993865	CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OCC(O)C(O)C2O)C(O)C1O	InChI=1S/C17H30O14/c1-4-13(8(21)10(23)15(26)28-4)30-17-12(25)9(22)14(6(2-18)29-17)31-16-11(24)7(20)5(19)3-27-16/h4-26H,2-3H2,1H3	C17H30O14	458.412	14	9	228.22	3	5	2	-4.9965	-5.9063	1.79	-4.254	93.4094	93.8342	2.99990000000001	388.581995045991
Cond-000416	NP145	NP145	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.7551069512	COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4c2c1O	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1	C20H24NO4+	342.409	5	2	58.92	4	2	0	-1.9843	3.1443	3.11	1.008	48.5815	98.2272000000001	2.5903	314.907460570946
Cond-000417	NP146	NP146	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	11.7351936355	[C@@H]1(C[C@@](O)(Cc2c(O)c3c(C(=O)c4c(cccc4O)C3=O)c(O)c12)C(=O)C)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1	C26H27NO10	513.493	11	7	196.84	5	3	1	-4.1553	1.14908	3.11	-1.59	78.8345	132.8033	3.5288	449.840664375913
Cond-000418	NP147	NP147	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.1114506388	C12CC(O)C(O)C[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17?,19?,20?,21?,22-,24+,25+,26+,27+/m0/s1	C27H44O7	480.634	7	6	138.45	4	5	1	-1.1982	2.01408000000001	3.66	1.049	126.178	129.5748	3.8034	482.380878298331
Cond-000419	NP148	NP148	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.6582889361	[C@H]1(C[C@H]2C[C@@H]3N(CCc4c3cc(OC)c(OC)c4)C[C@@H]2CC)NCCc2c1cc(OC)c(OC)c2	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	C29H40N2O4	480.639	6	1	52.19	5	7	0	-0.506899999999999	4.76199000000001	3.99	4.161	88.6167	138.5677	3.8281	467.893394360714
Cond-000420	NP149	NP149	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.5496110059	C[n+]1cc2c(ccc3c2OCO3)c2c1c1c(cc2)cc2OCOc2c1	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1	C20H14NO4+	332.329	5	0	40.8	6	0	0	-1.947	5.62997	3.11	3.297	20.6409	99.747	2.2441	260.485167066946
Cond-000421	NP15	NP15	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.3508818363	C1(CC2C3O[C@@H]3C(C1)N2C)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13?,14?,15-,16?/m1/s1	C17H21NO4	303.353	5	1	62.3	4	5	0	-1.5511	1.15199	2.78	2.496	50.2166	82.6258	2.2321	277.874194744545
Cond-000422	NP150	NP150	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	102.331288344	C[C@H]1C2C(CC3C4CC=C5CC(O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]21CCC(C)CO2	InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15?,16-,18?,19?,20?,21?,22+,23?,24?,25-,26-,27+/m0/s1	C27H42O4	430.62	4	2	58.92	6	0	1	0.0544000000000027	4.61089000000001	3.99	5.229	117.2383	118.8206	3.4531	433.933739495848
Cond-000423	NP151	NP151	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.4757958184	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c2c(oc3c(cc(O)c(O)c3)c2=O)cc1O	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1	C19H18O11	422.34	11	8	197.37	4	2	1	-4.4948	-0.0860199999999986	2.34	-1.995	50.8027	102.7596	2.696	344.19161458964
Cond-000424	NP152	NP152	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.6828027877	[C@H]12CC[C@](C)(O)[C@@H](COc3cc4c(ccc(=O)o4)cc3)[C@]1(C)CC[C@H](O)C2(C)C	InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18-,19+,20+,23-,24+/m1/s1	C24H32O5	400.508	5	2	75.99	4	3	0	0.346099999999999	4.51397000000001	3.55	4.488	84.4395	114.8146	3.1343	394.103094917208
Cond-000425	NP153	NP153	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.9506508506	CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4C1[C@@]3(C1C[C@]3(O)[C@H](OC(=O)c5ccccc5)C1[C@]4(OC(=O)C)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2OC(=O)C)OC	InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21?,22-,23+,24?,25+,26+,27?,28?,29+,30-,31+,33+,34+,35+,36-/m1/s1	C36H49NO12	687.774	13	2	159.52	7	13	2	-2.4496	-4.0267	3.99	0.576	170.5324	117.5461	8.18140000000001	634.477422736502
Cond-000426	NP154	NP154	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	79.6477679412	C[C@H]1CCCC(O)CCC/C=C/c2c(c(O)cc(O)c2)C(=O)O1	InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14?/m0/s1	C18H24O5	320.38	5	3	86.99	2	0	0	-2.2381	3.15708000000001	2.89	3.596	56.0084	89.3514000000001	2.5061	315.040104563607
Cond-000427	NP156	NP156	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	11.3279276245	[C@H]12Cc3ccccc3c3c4OCOc4cc(CCN1C)c23	InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1	C18H17NO2	279.333	3	0	21.7	5	0	0	0.0919999999999996	3.37549	3.11	3.896	33.4941	82.947	2.061	249.06034986689
Cond-000428	NP157	NP157	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	71.3034469768	[C@@H]12CC[C@]3(OC4C[C@H](C)CN[C@H]4[C@H]3C)C(=C1C(=O)[C@H]1C2CC=C2CC(CCC12C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C	InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19?,20-,21?,22?,23+,25+,26-,27+,29-,30+,31-,32?,33-/m0/s1	C33H49NO8	587.744	9	5	137.71	7	3	0	-1.7593	2.09137000000001	4.1	0.772	150.9846	155.7519	4.43850000000001	566.237938159057
Cond-000429	NP158	NP158	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.9342171748	[C@@H]12COc3c(ccc(OC(=O)C)c3)[C@@H]1Oc1c2cc2OCOc2c1	InChI=1S/C18H14O6/c1-9(19)23-10-2-3-11-14(4-10)20-7-13-12-5-16-17(22-8-21-16)6-15(12)24-18(11)13/h2-6,13,18H,7-8H2,1H3/t13-,18-/m0/s1	C18H14O6	326.3	6	0	63.22	5	2	0	-1.037	4.40017	2.78	2.537	33.3393	90.835	2.153	270.588037760168
Cond-000430	NP159	NP159	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.599480282	O=C(/C=C/c1cc2c(OCO2)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H20N2O4/c24-20(7-5-14-4-6-18-19(9-14)27-13-26-18)22-10-15-8-16(12-22)17-2-1-3-21(25)23(17)11-15/h1-7,9,15-16H,8,10-13H2/b7-5+/t15-,16+/m1/s1	C21H20N2O4	364.394	6	0	59.08	5	3	0	-1.3441	2.59345	3.11	1.534	77.096	102.414	2.6149	335.15259995218
Cond-000431	NP16	NP16	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	10.5387078546	CC(C)C1/C=C/C(C)(O)CCC=C(C)C[C@@H]1OC(=O)c1ccc(O)cc1	InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11+,16-6?/t19?,20-,22?/m0/s1	C22H30O4	358.471	4	2	66.76	2	4	0	1.3149	4.44797000000001	3.44	4.397	78.6131	105.4916	2.968	372.797357665713
Cond-000432	NP160	NP160	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.5104294479	C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]21CCCCO2	InChI=1S/C26H40O4/c1-15-23-22(30-26(15)9-4-5-11-29-26)13-19-17-7-6-16-12-20(27)21(28)14-25(16,3)18(17)8-10-24(19,23)2/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17?,18?,19?,20+,21+,22?,23?,24-,25-,26+/m0/s1	C26H40O4	416.593	4	2	58.92	6	0	0	-0.910599999999998	4.36489000000001	3.88	4.932	110.0744	114.2736	3.3122	416.637754869981
Cond-000433	NP161	NP161	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.7497909549	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1	C20H27NO11	457.428	12	7	202.32	3	7	2	-4.0765	-3.38291	2.34	-0.639999999999999	76.9126	103.0216	3.13130000000001	401.013735526074
Cond-000434	NP163	NP163	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.8097570164	[C@@H]12CC[C@]3(C)[C@H](CC=C4C5[C@@H](C)[C@H](C)CCC5(CC[C@@]34C)C(=O)O)[C@@]1(C)CCC(O)C2(C)C	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23?,24?,27+,28-,29-,30?/m1/s1	C30H48O3	456.7	3	2	57.53	5	1	1	1.4838	7.24958000000001	4.43	8.954	132.2552	135.5846	3.8827	486.751466672887
Cond-000435	NP164	NP164	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	11.9325673385	C[C@@](O)(CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C	InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18+,19+,20-/m1/s1	C20H36O2	308.499	2	2	40.46	2	4	1	1.9765	4.62339000000001	3.44	5.989	90.8969	92.3616000000001	2.7838	344.707228516858
Cond-000436	NP165	NP165	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	99.6220858896	[C@H]12CC3O[C@]4(CCC(C)CO4)[C@@H](C)C3[C@@]1(C)[C@H](O)C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C	InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15?,16-,18-,19+,20-,21+,22?,23+,24?,25-,26+,27+/m0/s1	C27H42O4	430.62	4	2	58.92	6	0	0	-0.295999999999997	4.61089000000001	3.99	4.167	115.2845	118.8206	3.4531	433.933739495848
Cond-000437	NP166	NP166	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	103.936711245	CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16?,17?,18?,20?,21-,22-,23-/m0/s1	C23H32O6	404.497	6	2	100.9	4	4	0	-0.742500000000001	2.51248	3.33	0.864	105.5182	107.6626	3.0951	399.133795692702
Cond-000438	NP167	NP167	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	14.5256468452	[Na+].[C@@H](C)(CCc1ccc(C)c(O)c1C(=O)[O-])[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1	InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1	C34H53NaO8	612.77	8	3	136.35	3	13	2	-2.89380000000001	4.62081000000001	4.32	5.233	128.8411	163.7136	4.80650000000001	604.471850627957
Cond-000439	NP168	NP168	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.0437202857	[C@@H](O)(CC1CC(=O)NC(=O)C1)[C@@H]1CC(C)C[C@H](C)C1=O	InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8?,9-,11-,12+/m0/s1	C15H23NO4	281.347	5	2	83.47	2	3	0	-1.1054	1.27539	2.56	0.758	71.2863	75.7995	2.2105	281.531601595212
Cond-000440	NP169	NP169	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	71.8446138041	[C@H]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]12C)C(=O)O	InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,23?,26-,27+,28+,29-,30-/m1/s1	C30H44O4	468.668	4	1	71.44	5	1	1	2.2528	6.78088000000001	4.32	6.138	135.3014	135.0448	3.8554	490.268775971848
Cond-000441	NP17	NP17	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.4821017088	[C@H]1(OC(=O)c2c1ccc(OC)c2OC)[C@@H]1N(C)CCc2c1c(OC)c1OCOc1c2	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1	C22H23NO7	413.421	8	0	75.69	5	4	0	-0.267299999999999	3.27899	3	2.133	60.2657	112.014	2.8751	359.558963172363
Cond-000442	NP170	NP170	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.2207572047	[C@@H]12C[C@H](OC)C=C[C@@]31c1c(CO[C@]3(O)CN2C)cc2OCOc2c1	InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16-,17+,18-/m1/s1	C18H21NO5	331.363	6	1	60.39	5	1	0	-1.101	1.24828	2.78	0.419	61.9378	85.9888	2.3231	291.603947370174
Cond-000443	NP171	NP171	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.8706070669	OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6+,7-,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18-/m1/s1	C18H32O16	504.437	16	11	268.68	3	8	2	-6.0574	-7.57139999999999	1.68	-4.814	101.1874	101.2748	3.25820000000001	423.45843307298
Cond-000444	NP172	NP172	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	56	[C@@H]12CCC(C(C)CCCC(C)C)[C@@]1(C)CC[C@H]1C2CC=C2CC(O)CC[C@]12C	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21?,22?,23?,24-,25-,26-,27+/m0/s1	C27H46O	386.654	1	1	20.23	4	5	1	1.5548	7.31489000000001	4.32	10.518	115.1746	118.7828	3.4942	432.275976795764
Cond-000445	NP173	NP173	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	59.9317073171	Cc1c(CCO)sc[n+]1Cc1c(N)nc(C)nc1	InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	C12H17N4OS+	265.355	5	3	104.15	2	4	0	-1.8375	1.97943	2.12	0.635	38.5474	72.9662	2.0101	229.017584246828
Cond-000446	NP174	NP174	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	71.3128649463	[C@@H]12C3c4c(cc5OCOc5c4)C(=O)O[C@@H]3[C@H](O)C=C1CCN2C	InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14?,15+,16-/m1/s1	C17H17NO5	315.321	6	1	68.23	5	0	0	-0.656499999999999	1.43827	2.67	0.352	56.1821	84.4468	2.1392	271.671504043506
Cond-000447	NP175	NP175	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.7793363971	CC(=C)C(CC=C(C)C)Cc1c(O)ccc2c1O[C@@H](CC2=O)c1c(O)cc(O)cc1	InChI=1S/C25H28O5/c1-14(2)5-6-16(15(3)4)11-20-21(27)10-9-19-23(29)13-24(30-25(19)20)18-8-7-17(26)12-22(18)28/h5,7-10,12,16,24,26-28H,3,6,11,13H2,1-2,4H3/t16?,24-/m0/s1	C25H28O5	408.487	5	3	86.99	3	6	0	0.973199999999997	5.87656000000001	3.66	4.274	69.5607	123.0588	3.2118	402.309703440675
Cond-000448	NP176	NP176	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.2114482327	CC[C@@]12CCCN3CCC4(C13)c1c(NC4=C(C2)C(=O)OC)cccc1	InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19?,20-,21?/m0/s1	C21H26N2O2	338.443	4	1	41.57	5	3	0	-0.544299999999999	4.20537	3.33	3.954	71.8562	100.5537	2.6265	325.481522653458
Cond-000449	NP177	NP177	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.2139904914	COc1cc2c(c(OC)c1OC)c1c(cc(O)c(=O)cc1)[C@@H](N)CC2	InChI=1S/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)/t13-/m0/s1	C19H21NO5	343.374	6	3	91.01	3	3	0	-1.1027	2.22386	2.89	1.115	72.7364	95.8142000000001	2.5522	325.70347329524
Cond-000450	NP178	NP178	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.5142986836	Oc1cc(O)c(O)c2c1C(=O)c1c(cccc1)C2=O	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H	C14H8O5	256.21	5	3	94.83	3	0	0	-1.9085	1.91778	2.45	1.192	18.3858	70.1841	1.7049	214.690331256939
Cond-000451	NP179	NP179	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.3142604582	CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C	InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15?,16?,17?,19?,20-,21+/m0/s1	C21H28O3	328.445	3	0	51.21	4	1	0	0.259800000000001	4.06258	3.44	2.328	92.5345	94.2440000000001	2.6372	338.171146339285
Cond-000452	NP180	NP180	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.086986645	CC(C)C(C)/C=C/C(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19?,20?,23?,24?,25?,26?,27-,28+/m0/s1	C28H44O	396.648	1	0	17.07	4	4	1	2.589	7.70517000000001	4.43	10.495	122.7457	125.209	3.5491	444.299044020031
Cond-000453	NP181	NP181	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.6569094933	COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1C(C2)N(C)CC3	InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3	C21H25NO4	355.427	5	0	40.16	4	4	0	0.187500000000001	3.68119	3.22	2.237	55.2852	103.032	2.7097	330.885215846413
Cond-000454	NP182	NP182	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.1341118855	COC(=O)C1=CO[C@@H](C)C2CN3CC[C@@]4(C3CC12)C(=O)Nc1c(OC)c(OC)ccc41	InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13?,14?,18?,23+/m0/s1	C23H28N2O6	428.478	8	1	86.33	5	4	0	-1.3422	2.83987	3.11	0.967	86.9375	115.2907	3.1001	392.597940006636
Cond-000455	NP183	NP183	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	76.9374233129	C[C@H]1C2C(CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]23C)OC21CCC(C)CN2C(=O)C	InChI=1S/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3/t17?,18-,21?,22?,23?,24?,25?,26?,27-,28-,29?/m0/s1	C29H45NO3	455.672	4	1	49.77	6	1	1	-0.193700000000001	5.70588000000001	4.21	5.873	125.4342	132.1088	3.733	468.095783554387
Cond-000456	NP184	NP184	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	81.980703063	[C@@H]12CCCN1(=O)C[C@@H](COC(=O)C(O)(C(C)C)C(C)O)C2	InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-7-13-5-4-6-16(13,20)8-12/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13-,15?,16?/m0/s1	C15H27NO5	301.379	6	2	89.82	2	6	0	-1.7568	1.02829	2.45	-0.0820000000000003	69.8456	80.1610000000001	2.3552	295.594745697373
Cond-000457	NP185	NP185	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.4115652665	[C@@H]12C[C@]34O[C@]5(O)[C@@H](CCC3(C)C5C[C@@H](OC(=O)C)C4[C@]1(O)[C@@H](OC(=O)C(C)CC)C(O)[C@H]1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)OC(=O)C(C)(O)C(C)OC(=O)C	InChI=1S/C41H63NO14/c1-10-20(3)34(46)55-33-31(45)30-24(18-42-17-19(2)11-12-28(42)38(30,9)49)25-16-39-32(40(25,33)50)26(53-23(6)44)15-27-36(39,7)14-13-29(41(27,51)56-39)54-35(47)37(8,48)21(4)52-22(5)43/h19-21,24-33,45,48-51H,10-18H2,1-9H3/t19-,20?,21?,24?,25-,26+,27?,28-,29+,30+,31?,32?,33-,36?,37?,38+,39+,40-,41-/m0/s1	C41H63NO14	793.937	15	5	218.82	7	12	2	-4.26229999999999	1.84109000000001	4.32	1.901	185.3377	197.994	5.87490000000002	754.710716668553
Cond-000458	NP186	NP186	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.8134969325	COc1cc2c(cc1OC)C(=O)Cc1c(CN(C)CC2)c2c(OCO2)cc1	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3	C21H23NO5	369.411	6	0	57.23	4	2	0	-0.241	3.53098	3.11	1.933	54.4698	106.837	2.7254	337.038983846174
Cond-000459	NP187	NP187	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.2748249561	COc1c(O)c2c(CN(C)CCc3c2cccc3)cc1	InChI=1S/C17H19NO2/c1-18-10-9-12-5-3-4-6-14(12)16-13(11-18)7-8-15(20-2)17(16)19/h3-8,19H,9-11H2,1-2H3	C17H19NO2	269.338	3	1	32.7	3	1	0	-0.1178	3.13519	3	3.576	32.3513	82.68	2.1373	256.477282642623
Cond-000460	NP188	NP188	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	76.0877754756	OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)	C11H12Cl2N2O5	323.129	7	3	112.7	1	7	0	0.2205	0.66079	1.68	1.179	43.3689	76.9053	2.0728	258.740326840539
Cond-000461	NP189	NP189	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	56.2295434455	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1	C18H32O16	504.437	16	11	268.68	3	8	2	-6.0574	-7.57139999999999	1.68	-5.243	101.1874	101.2748	3.25820000000001	423.45843307298
Cond-000462	NP19	NP19	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	98.8889142388	[NH4+].[C@@H]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H]([C@H](O)[C@@H](O)C4O)C(=O)O)C(=O)O)C(C)(C)C3CC[C@@]12C)C(=O)[O-]	InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21?,22-,23+,24+,25-,26-,27?,28+,29-,30+,31?,34+,35-,38+,39-,40-,41+,42+;/m0./s1	C42H65NO16	839.963	16	7	269.87	7	7	2	-2.2841	1.07098000000001	4.32	3.933	196.5639	199.7826	5.96890000000001	774.635706436175
Cond-000463	NP190	NP190	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	70.9654299161	[C@H]1(CO)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1	InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1	C16H20N2O	256.343	3	2	39.26	4	1	0	-1.2798	2.04349	2.89	1.769	42.618	77.8278	2.0149	234.304290225162
Cond-000464	NP191	NP191	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.998772888	[C@@H]12CC(=O)[C@@H]3C[C@]1(C1C[C@H]4[C@@]52C1N(CC)C[C@]4(C)CC[C@@H]5O)[C@H](O)C3=C	InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13?,15-,16-,17+,18?,19-,20+,21-,22+/m1/s1	C22H31NO3	357.486	4	2	60.77	6	1	0	-1.4334	2.16008	3.44	0.701	96.4903	100.1866	2.7467	347.023891173319
Cond-000465	NP192	NP192	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.5131012247	CCN1(=O)C[C@]2(C)CC[C@H](O)[C@@]34C5C[C@H](O)[C@@H]6C[C@@]5([C@H](O)C6=C)C(CC23)C14	InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13?,14+,15?,16?,17+,18?,19-,20+,21-,22+,23?/m1/s1	C22H33NO4	375.502	5	3	83.75	6	1	0	-2.026	1.73059	3.33	0.319	95.2376	99.7318000000001	2.8484	358.45057657468
Cond-000466	NP193	NP193	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	29.0355999247	CC1=CCC2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3/t18-,20?,24-/m1/s1	C24H28O4	380.477	4	0	52.6	4	3	0	1.9587	5.45356000000001	3.66	4.458	86.193	112.061	2.9896	380.039950815047
Cond-000467	NP194	NP194	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	80.0750703785	C1(CO)OC(n2cnc3c2[nH]c(=O)nc3N)C(O)C1O	InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)	C10H13N5O5	283.241	10	6	155.22	3	2	0	-2.7684	-2.64012	1.46	-2.369	46.2355	69.1775	1.8123	221.936028597506
Cond-000468	NP195	NP195	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	42.3079555566	COc1cc2c(O)c3c(C(=O)OC3)c(c3ccc4OCOc4c3)c2cc1OC	InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3	C21H16O7	380.348	7	1	83.45	5	3	0	-0.9461	4.23208	3	2.017	35.6722	107.291	2.5484	315.093300936729
Cond-000469	NP196	NP196	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	90.4108963975	[C@@H]12C=COC(OC3OC(CO)C(O)C(O)C3O)[C@@H]1C(=C[C@H]2O)CO	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9?,10+,11?,12?,13?,14?,15?/m0/s1	C15H22O9	346.33	9	6	149.07	3	4	1	-3.5817	-2.94912	2.12	-2.39	77.2782	76.4808	2.3386	304.765974889851
Cond-000470	NP197	NP197	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.2098159509	NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CO)NC(=O)C(CO)NC1=O)C1C[C@@H](O)NC(=N)N1	InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10?,11?,12?,14?,15?,17-,18?/m1/s1	C25H43N13O10	685.69	23	19	390.36	2	12	3	-9.6665	-9.14894999999999	1.68	-3.461	146.2146	165.7236	4.91130000000001	623.375178350446
Cond-000471	NP198	NP198	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.6102530173	COc1c2ccoc2nc2c1C=CC(=O)C2(CC=C(C)C)OC	InChI=1S/C18H19NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h5-8,10H,9H2,1-4H3	C18H19NO4	313.348	5	0	61.56	3	4	0	1.1733	3.82207	2.89	1.905	59.1113	90.797	2.3526	288.717261968812
Cond-000472	NP199	NP199	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.78395178	COc1cc(O)c(C(=O)C)c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1	InChI=1S/C21H30O14/c1-7(23)13-9(24)3-8(31-2)4-10(13)33-21-19(30)17(28)15(26)12(35-21)6-32-20-18(29)16(27)14(25)11(5-22)34-20/h3-4,11-12,14-22,24-30H,5-6H2,1-2H3/t11-,12-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1	C21H30O14	506.454	14	8	225.06	3	8	2	-4.7201	-3.42531	2.23	-2.288	88.042	114.7134	3.39150000000001	436.320098746258
Cond-000473	NP2	NP2	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.5349245687	CC(C)CC(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1	InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3	C21H24O7	388.411	7	0	88.13	3	6	0	1.0446	4.11827000000001	3	3.873	75.5429	105.451	2.8516	366.87913573993
Cond-000474	NP20	NP20	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	70.6787395179	CC(=O)C1C[C@H](O)C2C3CCC4=CC(=O)CC[C@]4(C)C3CC(O)[C@]12C	InChI=1S/C21H30O4/c1-11(22)15-9-17(24)19-14-5-4-12-8-13(23)6-7-20(12,2)16(14)10-18(25)21(15,19)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14?,15?,16?,17-,18?,19?,20-,21-/m0/s1	C21H30O4	346.46	4	2	74.6	4	1	0	-0.422200000000003	2.82518	3.33	1.289	94.5156	96.6336000000001	2.7389	349.597831740647
Cond-000475	NP200	NP200	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.810038257	[C@@H]12C[C@H]3[C@@H](CC(=O)[C@H]4CC(CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CCC1C2CN2CC(C)CC[C@H]2[C@@]1(C)O	InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16?,17?,18-,19-,20+,21?,22?,23+,24-,26-,27+,28-,29+,30-,31-,32-,33+/m1/s1	C33H53NO8	591.776	9	5	139.92	7	3	0	-3.539	1.94439000000001	4.1	2.903	145.819	156.129	4.52450000000001	571.510855560657
Cond-000476	NP201	NP201	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.3570552147	[Na+].[C@@H]1(C[C@H](C)[C@@H](O1)[C@]1(CC)CCC(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@@H](C)C(=O)[O-])O1)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C	InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24+,25-,26+,27?,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1	C36H61NaO11	692.853	11	3	156.2	5	10	1	-2.86200000000001	3.17209000000001	4.21	2.887	159.2803	172.9154	5.21920000000001	662.167417382972
Cond-000477	NP202	NP202	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	70.3312883436	[C@H]12C[C@H]3C4=CCOC5CC(=O)N6C([C@@H]35)[C@]1(CCN2C4)c1c6cccc1	InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17-,19-,20?,21+/m0/s1	C21H22N2O2	334.412	4	0	32.78	7	0	0	-0.784099999999999	2.77967	3.33	1.731	67.8364	96.806	2.4093	300.768605251857
Cond-000478	NP204	NP204	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.1619631902	[C@H](O)(CCN)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O	InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6?,7?,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,21?,22?/m0/s1	C22H43N5O13	585.603	18	17	331.94	3	11	3	-9.0223	-8.19031	1.9	-6.562	125.1334	134.6687	4.10170000000001	518.619033814797
Cond-000479	NP205	NP205	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	57.4731707317	[C@@H]12CC3N(CCC43c3c(NC4=C1C=O)cccc3)CC2=CC	InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/t13-,17?,19?/m0/s1	C19H20N2O	292.375	3	1	32.34	5	1	0	-0.0791999999999978	3.54336	3.22	2.602	63.8752	89.6207	2.243	279.462868000362
Cond-000480	NP206	NP206	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	70.4840836316	C/C=C\1/C[N+]2(C)C3Cc4c([nH]c5c4cccc5)C2CC1C3CO	InChI=1S/C20H25N2O/c1-3-12-10-22(2)18-9-15-13-6-4-5-7-17(13)21-20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,21,23H,8-11H2,1-2H3/q+1/b12-3-	C20H25N2O+	309.425	3	2	36.02	3	1	0	-1.6106	2.67698	3.33	2.248	58.3054	92.4482000000001	2.4484	289.813540677429
Cond-000481	NP208	NP208	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.0364335714	OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10+,11+,12+/m0/s1	C12H22O11	342.296	11	8	189.53	2	4	2	-4.3105	-5.3956	1.57	-4.135	68.7741	68.6414	2.2279	288.087850515773
Cond-000482	NP209	NP209	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	109.104294478	CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(O)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3	InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20?,21?,22?,23?,24?,27-,28+,29+,30?/m0/s1	C30H50O2	442.717	2	1	29.46	6	0	1	2.0944	7.23760000000001	4.54	9.35	130.094	130.1928	3.8014	470.877698673126
Cond-000483	NP21	NP21	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.9783450831	COc1ccc(cc1OC)[C@H]1C(O)C(O)C(C)N1C	InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8?,12-,13?,14?/m0/s1	C14H21NO4	267.321	5	2	62.16	2	3	0	-1.059	0.4595	2.45	0.822	47.8458	70.7476000000001	2.0696	253.335616969345
Cond-000484	NP210	NP210	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	102.232058768	COc1ccc(cc1OC)C(=O)C1=NCCc2c1cc(OC)c(OC)c2	InChI=1S/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-6,9-11H,7-8H2,1-4H3	C20H21NO5	355.384	6	0	66.35	3	6	0	-0.5336	2.91749	3	2.331	50.1895	101.552	2.6501	329.462999220307
Cond-000485	NP211	NP211	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.9412288107	CCN1C[C@]2(C)CC[C@H](OC(=O)C)[C@]34[C@H]1[C@H](CC23)[C@]12C[C@@H](C(=C)[C@H]1OC(=O)C)C(=O)CC42	InChI=1S/C26H35NO5/c1-6-27-12-24(5)8-7-21(31-14(3)28)26-19(24)9-17(22(26)27)25-11-16(18(30)10-20(25)26)13(2)23(25)32-15(4)29/h16-17,19-23H,2,6-12H2,1,3-5H3/t16-,17-,19?,20?,21-,22+,23+,24-,25-,26-/m0/s1	C26H35NO5	441.56	6	0	72.91	6	5	0	-0.6752	-1.23721	3.66	2.181	114.7933	79.043	5.6377	428.515365676307
Cond-000486	NP212	NP212	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.8378225655	[C@@H]12C[C@]34O[C@]5(O)C(O)CC[C@@]3(C)C5C[C@@H](O)[C@H]4[C@]1(O)[C@@H](O)C(O)[C@H]1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O	InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13?,14-,15+,16?,17-,18?,19+,20?,21+,22-,23-,24+,25+,26-,27-/m0/s1	C27H43NO8	509.632	9	7	154.08	7	0	1	-5.0519	-0.814099999999998	3.44	0.186	118.9548	126.1506	3.7221	470.371406506259
Cond-000487	NP213	NP213	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	61.356097561	COc1cc(=O)n(C)c2c1cccc2OCC(O)C(C)(C)O	InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3	C16H21NO5	307.342	6	2	79.23	2	5	0	-1.1894	1.21208	2.56	1.065	58.6516	84.8186	2.3241	291.44489552004
Cond-000488	NP214	NP214	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	10.9229041737	CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(=O)N)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)c1nc(cs1)C(=O)NCCCNCCCCN	InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23?,24?,25?,26?,27?,31-,32-,36?,37?,38?,39+,40-,41-,42+,43?,44-,45-,55-,56-/m1/s1	C57H89N19O21S2	1440.56	40	28	721.6	6	45	3	-12.0032	-7.86100999999999	3.11	-9.894	267.0727	353.375699999999	10.2132	1262.42028503896
Cond-000489	NP215	NP215	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.1372681119	CCN1C[C@]2(C)CC[C@H](OC)C34C2[C@H](OC(=O)C)C2(OCO[C@]52C[C@H](OC)[C@H]2C[C@]3(O)C5[C@H]2OC)[C@H]14	InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19?,20?,21+,22-,23+,24+,25-,26?,27?/m1/s1	C27H41NO8	507.616	9	1	95.92	7	6	0	-2.4771	-3.3024	3.44	0.762	122.422	82.2318	6.3687	467.734947805457
Cond-000490	NP217	NP217	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.3374823805	[C@@H]12C[C@@H]3C(=CO[C@@H](C)[C@@H]3CN1CCc1c2[nH]c2c1ccc(OC)c2)C(=O)OC	InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1	C22H26N2O4	382.453	6	1	63.79	5	3	0	-0.706199999999999	2.92967	3.22	2.414	72.8597	108.78	2.8418	346.821501979647
Cond-000491	NP218	NP218	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.075351793	COc1cc2c(oc(=O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O	InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1	C16H18O10	370.308	10	5	155.14	3	4	0	-2.4493	-0.936329999999999	2.12	-0.983	61.3935	87.965	2.4092	312.042810113879
Cond-000492	NP219	NP219	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.3914110429	[C@H]12CC3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H](C)C1CC[C@H](C)CN21	InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19?,20+,21-,22?,23?,24-,25-,26-,27-/m0/s1	C27H43NO	397.636	2	1	23.47	6	0	1	0.528099999999999	5.58119000000001	4.21	6.143	114.9445	118.1568	3.3768	418.559819602331
Cond-000493	NP220	NP220	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	65.1776140175	CC(C)CC(=O)OC1C(OC(=O)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12	InChI=1S/C21H24O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3	C21H24O7	388.411	7	0	88.13	3	6	0	1.0446	4.11827000000001	3	3.873	75.5429	105.451	2.8516	366.87913573993
Cond-000494	NP221	NP221	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.3104294479	CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4	InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22?,23?,24?,27-,28-,29-,30+/m1/s1	C30H50O	426.717	1	1	20.23	5	0	1	3.0093	8.23919	4.65	10.801	132.1813	130.5198	3.8083	471.807471972565
Cond-000495	NP222	NP222	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	56.3571294029	CC(=CCc1c(O)c2c(OCC(C2=O)c2ccc(O)cc2)c2c1OC(C)(C)C=C2)C	InChI=1S/C25H26O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,19,26-27H,10,13H2,1-4H3	C25H26O5	406.471	5	2	75.99	4	3	0	1.3136	5.54497000000001	3.66	3.6	70.9911	120.4686	3.1032	389.953244739874
Cond-000496	NP223	NP223	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	66.2637073847	CCC[C@H]1C[C@@H](N(C)C1)C(=O)NC(C(C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11+,12?,13-,14+,15+,16+,18+/m0/s1	C18H34N2O6S	406.537	8	5	147.79	2	8	0	-2.1177	-0.623110000000001	2.45	0.69	99.4192	106.4839	3.0999	385.778710541302
Cond-000497	NP224	NP224	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	27.6699943492	CC1=CC(=O)C2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H26O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,22H,9-10,13H2,1-4H3/t17-,22?,24+/m1/s1	C24H26O5	394.46	5	0	69.67	4	3	0	1.512	4.63256000000001	3.55	2.995	86.4404	112.451	3.0053	386.193718814808
Cond-000498	NP226	NP226	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.6057529207	[C@@H]12[C@H]3CCN1CC=C2COC(=O)[C@@](O)(CO)[C@@H](C)C/C(=C/C)/C(=O)O3	InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1	C18H25NO6	351.394	7	2	96.3	3	1	0	-0.278400000000002	0.25147	2.67	0.5	88.6892	91.1766	2.599	336.007091472335
Cond-000499	NP227	NP227	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.0331288344	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2C4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)O)C1(C)C	InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21?,23?,24-,25?,28+,29-,30-,31+,32+/m0/s1	C32H48O5	512.721	5	1	80.67	5	3	1	2.0622	7.14348000000001	4.43	7.485	143.4318	145.5918	4.1959	533.650971924142
Cond-000500	NP229	NP229	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.0651026113	[C@@H]12[C@H]3OC(=O)[C@@H](C)C3CC[C@@]1(C)C(=O)C=C[C@@]2(C)O	InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9?,11-,12+,14-,15+/m0/s1	C15H20O4	264.317	4	1	63.6	3	0	0	0.1947	1.63038	2.67	0.605	69.0488	71.1088	2.0021	258.178382686245
Cond-000501	NP231	NP231	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.3675561223	[C@H]12Cc3ccc(OC)c(Oc4ccc(C[C@@H]5N(C)CCc6c5cc(OC)c(O)c6Oc5c(OC)cc(CCN1C)c2c5)cc4)c3	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30+/m1/s1	C37H40N2O6	608.723	8	1	72.86	6	3	1	-0.1345	7.54937	4.65	5.579	79.7942	177.779999999999	4.59750000000001	561.510055162368
Cond-000502	NP232	NP232	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	96.5095444012	CO[C@@H]1C(OC(=O)N)C(O)[C@H](Oc2c(C)c3c(cc2)c([O-])c(NC(=O)c2ccc(O)c(CC=C(C)C)c2)c(=O)o3)OC1(C)C	InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/p-1/t23?,25?,26-,29-/m1/s1	C31H35N2O11-	611.616	13	5	198.93	4	10	0	-0.215900000000002	2.42867000000001	3.44	3.822	104.6818	160.5144	4.3929	561.872886362774
Cond-000503	NP233	NP233	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.6085889571	[C@@H]12C[C@H]3C(CC=C4CC(O)CCC34C)[C@@H]1CC[C@H]1C2CN2CC(C)CC[C@H]2[C@@]1(C)O	InChI=1S/C27H43NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h5,16,18-25,29-30H,4,6-15H2,1-3H3/t16?,18?,19-,20?,21+,22?,23-,24-,25-,26?,27-/m0/s1	C27H43NO2	413.636	3	2	43.7	6	0	1	-1.277	4.55359000000001	4.1	5.033	114.2664	119.5686	3.4355	427.350046302892
Cond-000504	NP234	NP234	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.4484837069	O.CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC45C)C3CCC1[C@]2(C)O	InChI=1S/C27H43NO3.H2O/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2;/h15-23,25,29,31H,4-14H2,1-3H3;1H2/t15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,26?,27-;/m0./s1	C27H45NO4	447.65	4	2	60.77	6	0	0	-1.7921	4.12019000000001	3.99	4.011	113.4057	123.4956	3.4942	436.140273003453
Cond-000505	NP235	NP235	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	60.6328875494	[C@H]12OC(=O)[C@](C)(OC(=O)/C(=C/C)/C)[C@@H]1[C@H](CC(=C1C(=O)C=C(C)[C@H]21)C)OC(=O)/C(=C/C)/C	InChI=1S/C25H30O7/c1-8-12(3)22(27)30-17-11-15(6)18-16(26)10-14(5)19(18)21-20(17)25(7,24(29)31-21)32-23(28)13(4)9-2/h8-10,17,19-21H,11H2,1-7H3/b12-8+,13-9+/t17-,19-,20+,21+,25+/m0/s1	C25H30O7	442.501	7	0	95.97	3	6	0	3.3756	3.47815	3.44	2.417	119.0725	118.343	3.3722	444.326615542597
Cond-000506	NP236	NP236	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	73.2247127519	C[C@@H]1CCC2[C@](C)(COC(=O)C)[C@H](CC[C@]2(C)[C@]21CCC1(COC(=O)C1)O2)OC(=O)C	InChI=1S/C24H36O7/c1-15-6-7-18-21(4,13-28-16(2)25)19(30-17(3)26)8-9-22(18,5)24(15)11-10-23(31-24)12-20(27)29-14-23/h15,18-19H,6-14H2,1-5H3/t15-,18?,19+,21+,22+,23?,24-/m1/s1	C24H36O7	436.538	7	0	88.13	4	5	0	0.373900000000005	3.80249000000001	3.33	3.702	107.4649	114.123	3.3377	427.85646571993
Cond-000507	NP237	NP237	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.689557619	[C@H]12C(O[C@@H]3OC(CO)[C@H](O)C(O)C3O)OC=C[C@@]1(O)[C@H](O)CC2(C)OC(=O)/C=C/c1ccccc1	InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14?,15-,17+,18?,19?,20-,21+,22?,23?,24-/m1/s1	C24H30O11	494.488	11	6	175.37	4	7	2	-3.1641	-1.22253	2.89	2.643	91.9902	119.8128	3.44350000000001	444.207996419775
Cond-000508	NP238	NP238	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	104.767928384	COc1c2OC3CC(O)C=C[C@@]43CCN(C)Cc(cc1)c24	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12?,14?,17-/m0/s1	C17H21NO3	287.354	4	1	41.93	4	1	0	-0.562700000000001	1.43699	2.89	1.062	56.6169	78.7768000000001	2.1734	269.083968043984
Cond-000509	NP239	NP239	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	56.4856476023	COc1cc(=O)n(C)c2c1cccc2OCC1OC(C)(C)OC1(C)C	InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3	C19H25NO5	347.405	6	0	57.23	3	4	0	-0.4544	3.01038	2.89	2.907	70.8586	96.6300000000001	2.6382	330.976390696841
Cond-000510	NP24	NP24	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	69.2195121951	COc1c2CC(Oc2nc2c1cccc2)C(C)(O)CO	InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3	C15H17NO4	275.3	5	2	71.81	3	3	0	-0.948300000000001	2.19618	2.56	1.55	35.0751	77.2266	2.0159	242.102225492811
Cond-000511	NP241	NP241	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.5141104294	[C@H]12CCCN(C=O)[C@H]1C1CCC2N2CCc3c([nH]c4c3cccc4)[C@H]12	InChI=1S/C21H25N3O/c25-12-23-10-3-5-15-18-8-7-16(20(15)23)21-19-14(9-11-24(18)21)13-4-1-2-6-17(13)22-19/h1-2,4,6,12,15-16,18,20-22H,3,5,7-11H2/t15-,16?,18?,20-,21+/m1/s1	C21H25N3O	335.443	4	1	39.34	4	1	0	-1.6603	2.91238	3.33	2.997	59.3942	101.182	2.559	304.431597460263
Cond-000512	NP242	NP242	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.2883782257	CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC(=O)c7ccccc7)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14	InChI=1S/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20?,21+,22+,23?,24+,25?,26+,27?,29+,30+,31-/m1/s1	C31H43NO6	525.676	7	1	77.46	7	8	0	-2.4725	3.36429	4.1	4.261	111.9728	143.5228	3.9963	500.529056805403
Cond-000513	NP243	NP243	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	16.7828216237	COc1cc(cc(OC)c1OC)C(=O)O[C@H]1CC(=CCC[C@]2(C)O[C@@H]2C(O)C1C(C)C)C	InChI=1S/C25H36O7/c1-14(2)20-17(11-15(3)9-8-10-25(4)23(32-25)21(20)26)31-24(27)16-12-18(28-5)22(30-7)19(13-16)29-6/h9,12-14,17,20-21,23,26H,8,10-11H2,1-7H3/t17-,20?,21?,23+,25-/m0/s1	C25H36O7	448.549	7	1	86.75	3	7	0	0.8971	4.05318000000001	3.44	3.547	96.0922	123.2738	3.5012	441.335991644997
Cond-000514	NP244	NP244	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	66.8607588845	COc1c(oc2cc3c(ccc(=O)o3)cc12)C(C)C	InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3	C15H14O4	258.269	4	0	48.67	3	2	0	0.637	4.47585	2.67	2.842	39.7379	79.99	1.8731	228.469006583845
Cond-000515	NP246	NP246	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.4905560501	COc1cc2c(cc1OC)C1Cc3c(C[NH+]1CC2)c(OC)c(OC)cc3	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1	C21H26NO4+	356.435	5	1	41.36	4	4	0	-1.3603	1.8343	3.22	2.389	51.4027	99.5677000000001	2.7312	332.203445196813
Cond-000516	NP247	NP247	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.5973629123	COc1c(OC)cc(cc1)C1[C@@H](O)[C@@H](O)C(C)N1C	InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8?,12?,13-,14+/m0/s1	C14H21NO4	267.321	5	2	62.16	2	3	0	-1.059	0.4595	2.45	0.822	47.8458	70.7476000000001	2.0696	253.335616969345
Cond-000517	NP248	NP248	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	79.4514657047	COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCCc1cc(O)c(O)cc1	InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14?,18-,20-,21+,22-,24?,25+/m1/s1	C25H32O13	540.514	13	6	201.67	3	11	3	-2.5956	-0.547929999999999	2.78	0.18	103.8479	128.8258	3.76740000000001	488.804434446764
Cond-000518	NP249	NP249	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.1753625918	CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)C14	InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28+,29?,30+,32?,33+,34-,35+,36-/m1/s1	C36H48N2O10	668.774	12	2	144.3	8	10	1	-3.7649	1.75749	4.1	1.555	141.3673	172.8896	4.84080000000001	615.537270842744
Cond-000519	NP25	NP25	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.7234185895	[C@@H]12C=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C(C)(C)C1=CCC1[C@]3(C)C[C@@H](O)C([C@@](C)(O)C(=O)CCC(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C	InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21?,22?,25?,26?,27?,28?,30?,33+,34-,35+,36+/m1/s1	C36H54O12	678.807	12	7	211.28	5	8	2	-1.3739	1.18817000000001	4.1	1.084	175.0063	173.3276	5.12740000000001	661.730038630733
Cond-000520	NP250	NP250	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	80.1905632684	Cn1c2c(C[C@@H](O)C(C)(C)O2)c(=O)c2c1cccc2	InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1	C15H17NO3	259.3	4	1	49.77	3	0	0	0.124899999999998	1.98508	2.67	3.145	47.295	74.7408	1.9572	244.21199879225
Cond-000521	NP251	NP251	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	88.5060513462	COc1c(OC)cc2c(CC3NCCc4c3c2c2OCOc2c4OC)c1	InChI=1S/C20H21NO5/c1-22-14-7-10-6-13-16-11(4-5-21-13)18(24-3)20-19(25-9-26-20)17(16)12(10)8-15(14)23-2/h7-8,13,21H,4-6,9H2,1-3H3	C20H21NO5	355.384	6	1	58.18	5	3	0	-0.5993	3.61459	3	1.481	50.1468	100.3027	2.5189	310.022999220307
Cond-000522	NP252	NP252	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.9748321744	COc1c2ccoc2nc2c1CCC(O)C2(CCC(C)(C)O)OC	InChI=1S/C18H25NO5/c1-17(2,21)8-9-18(23-4)13(20)6-5-11-14(22-3)12-7-10-24-16(12)19-15(11)18/h7,10,13,20-21H,5-6,8-9H2,1-4H3	C18H25NO5	335.395	6	2	84.95	3	5	0	-0.633900000000001	3.15589	2.78	1.417	57.5294	91.6976000000001	2.5403	305.416864771774
Cond-000523	NP253	NP253	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	12.7142588058	[C@H]1(CCC(=O)O)C(=C(C)C)CC[C@H](C)[C@]1(C)COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20-,24-/m0/s1	C24H30O5	398.492	5	1	72.83	3	6	1	2.1314	5.72936000000001	3.55	5.344	87.7242	115.8168	3.1569	401.186636216408
Cond-000524	NP254	NP254	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.0552147239	CCC(/C=C/C(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C)C(C)C	InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21?,23?,25?,26?,27?,28?,29?,30-,31+/m0/s1	C31H50O2	454.727	2	0	26.3	4	7	1	1.6357	8.45787000000001	4.65	11.811	134.4426	140.373	4.0305	504.977224598193
Cond-000525	NP256	NP256	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	68.9585971283	C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23	InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12?,15?,16?/m0/s1	C16H23NO6	325.357	7	2	96.3	3	0	0	-0.567400000000004	-0.23252	2.45	0.0179999999999999	78.9782	82.2846	2.3602	304.051580921401
Cond-000526	NP257	NP257	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.245398773	[C@H]12Cc3ccc(Oc4cc(C[C@@H]5N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3	InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1	C39H44N2O7	652.776	9	0	71.09	6	5	1	0.222199999999999	8.04588	4.76	5.654	91.8612	189.126999999999	4.93800000000001	604.892251114662
Cond-000527	NP258	NP258	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	80.7308344321	CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14	InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23+,24-/m1/s1	C24H39NO5	421.57	6	2	71.39	6	5	0	-2.8417	1.5312	3.44	0.775	108.2457	110.8626	3.2319	404.469231227775
Cond-000528	NP259	NP259	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	62.7236767753	[C@@H]12C3=C[C@H](O)[C@@H](O)[C@H]1c1c(C[N+]2(C)CC3)cc2OCOc2c1	InChI=1S/C17H20NO4/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3/q+1/t12-,15-,16+,17+,18?/m0/s1	C17H20NO4+	302.345	5	2	58.92	5	0	0	-2.4712	0.980680000000002	2.78	0.0120000000000001	54.2692	79.5980000000001	2.145	266.835965394145
Cond-000529	NP26	NP26	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.4241235774	[C@@H]12C[C@@H]3C(=CO[C@@H](C)[C@@H]3CN1CC[C@]12C(=O)Nc2c1ccc(OC)c2OC)C(=O)OC	InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13-,14-,18-,23-/m0/s1	C23H28N2O6	428.478	8	1	86.33	5	4	0	-1.3422	2.83987	3.11	0.967	86.9375	115.2907	3.1001	392.597940006636
Cond-000530	NP260	NP260	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.6839825798	CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14	InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23-,24+,25+/m1/s1	C25H41NO7	467.596	8	3	100.85	6	6	0	-3.4454	0.271000000000001	3.33	-0.217	116.1588	118.5024	3.4902	439.345669254764
Cond-000531	NP261	NP261	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	102.071953287	OC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@]12O	InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-10(16)6(5-17-7)11-9(15)12-10/h6-7,16H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,10-/m1/s1	C10H16N2O4S	260.31	6	4	123.96	2	5	0	-1.6356	-0.28521	1.79	0.314	54.6126	65.609	1.8123	227.193921432445
Cond-000532	NP263	NP263	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	98.2957267687	C[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	InChI=1S/C22H32O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h9,12,15-17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,15?,16?,17-,19?,20+,21+,22+/m1/s1	C22H32O5	376.486	5	3	94.83	4	2	0	-1.437	2.18768	3.33	0.85	100.8638	102.6624	2.9385	375.684043067075
Cond-000533	NP265	NP265	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.7244905273	C12CC[C@H](O)[C@H](C(=O)O)[C@H]1C[C@@H]1N(CCc3c1[nH]c1c3cccc1)C2	InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11?,14-,16-,17-,18+/m0/s1	C20H24N2O3	340.416	5	3	76.56	5	1	0	-1.463	2.37478	3.11	2.536	57.6963	98.2186000000001	2.5443	306.075764728152
Cond-000534	NP266	NP266	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	18.9170731707	[C@@H]12CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]13[C@H](OC(O)[C@@H]2C)O4	InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14+,15-/m1/s1	C15H24O5	284.348	5	1	57.15	3	0	0	0.2487	2.1867	2.56	2.815	61.6033	69.0468	2.0812	262.521526788406
Cond-000535	NP267	NP267	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.1682587041	C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]21CCC1(COC(=O)C1)O2	InChI=1S/C20H32O5/c1-13-4-5-14-17(2,11-21)15(22)6-7-18(14,3)20(13)9-8-19(25-20)10-16(23)24-12-19/h13-15,21-22H,4-12H2,1-3H3/t13-,14?,15+,17+,18+,19?,20-/m1/s1	C20H32O5	352.465	5	2	75.99	4	1	0	-0.384300000000002	2.66089	3.11	2.651	89.1619	95.0286000000001	2.7427	346.364991216941
Cond-000536	NP268	NP268	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.6351478621	[C@H]12C[C@H]3[C@@H]4CN5CCCC[C@H]5[C@H](C)[C@H]4CC[C@@]3(O)[C@@H]1CC(O)[C@H]1CC(O)CC[C@]21C	InChI=1S/C26H43NO3/c1-15-17-7-9-26(30)19(18(17)14-27-10-4-3-5-23(15)27)12-20-21(26)13-24(29)22-11-16(28)6-8-25(20,22)2/h15-24,28-30H,3-14H2,1-2H3/t15-,16?,17-,18-,19+,20+,21-,22-,23+,24?,25-,26+/m1/s1	C26H43NO3	417.625	4	3	63.93	6	0	0	-2.9446	3.43210000000001	3.88	3.283	105.9421	116.7054	3.3963	421.480747078386
Cond-000537	NP269	NP269	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	34.8018575106	COc1cc2c(cc1OC)c(c1C(=O)OCc1c2OC(=O)C)c1cc2c(OCO2)cc1	InChI=1S/C23H18O8/c1-11(24)31-22-14-8-18(27-3)17(26-2)7-13(14)20(21-15(22)9-28-23(21)25)12-4-5-16-19(6-12)30-10-29-16/h4-8H,9-10H2,1-3H3	C23H18O8	422.384	8	0	89.52	5	5	0	-0.567	4.58198	3.11	2.757	44.8237	116.577	2.8459	355.839038188224
Cond-000538	NP27	NP27	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.6306748466	[C@@H]12CCC3C(CN4C[C@@H](C)CC[C@H]4[C@@]3(C)O)[C@@H]1C[C@H]1[C@H]2CC(=O)[C@H]2CC(CC[C@]12C)OC(=O)C	InChI=1S/C29H45NO4/c1-16-5-8-27-29(4,33)23-7-6-19-20(22(23)15-30(27)14-16)12-24-21(19)13-26(32)25-11-18(34-17(2)31)9-10-28(24,25)3/h16,18-25,27,33H,5-15H2,1-4H3/t16-,18?,19+,20+,21-,22?,23?,24-,25+,27-,28+,29-/m0/s1	C29H45NO4	471.672	5	1	66.84	6	2	0	-1.413	4.69099000000001	4.1	4.751	122.5572	133.0428	3.7917	476.886010254948
Cond-000539	NP270	NP270	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.8624363906	CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1Oc1cc2c(cc1)c(C)cc(=O)o2	InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13?,15?,16-,17?,18-/m1/s1	C18H21NO8	379.361	9	4	134.55	3	5	0	-1.6554	-0.116629999999999	2.45	0.695	66.0964	95.9631	2.6304	337.414627471857
Cond-000540	NP271	NP271	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.9511192871	COC1/C=C\OC2(C)Oc3c(C2=O)c2c(C(=O)C(=CC2=O)NC(=O)/C(=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)/C)c(O)c3C	InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10-,14-13-,17-12-	C37H45NO12	695.753	13	4	194.99	3	3	1	-0.959899999999996	3.84407000000001	4.1	1.948	158.9283	182.6296	5.17570000000001	673.024031259966
Cond-000541	NP272	NP272	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.7736579967	CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC)C23)C14	InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13?,14+,15+,16?,17+,18+,19-,20?,21?,22+,23-,24+/m1/s1	C24H39NO6	437.57	7	3	91.62	6	5	0	-3.4148	0.502	3.33	-0.255	109.3428	112.2524	3.2906	413.259457928336
Cond-000542	NP273	NP273	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.0699386503	COc1ccc(cc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2CCN1[C@H]2CC[C@H]1CC(C2)OC(=O)c1cc(OC)c(OC)cc1	InChI=1S/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3/t23-,24-,25-,26+,28?/m0/s1	C34H44N2O8	608.722	10	0	96	6	13	1	-2.9462	4.69399000000001	4.1	4.674	100.7472	166.0205	4.5728	571.90484818989
Cond-000543	NP275	NP275	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.1710303259	CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)(CC32)C14	InChI=1S/C22H33NO6/c1-4-23-9-19-13-8-21(26)18(23)22(13,14(24)6-15(19)29-19)11-5-10-12(27-2)7-20(21,25)16(11)17(10)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11?,12+,13?,14+,15+,16?,17+,18?,19-,20-,21?,22-/m1/s1	C22H33NO6	407.501	7	3	94.92	7	3	0	-3.326	-0.239200000000001	3.11	-0.41	97.9098	101.0004	2.9002	366.311029975802
Cond-000544	NP276	NP276	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.6023733283	CCN1C[C@@H]2CC3C(C4C[C@H]5[C@H](OC)C4(O)C2(O)CC5OC)[C@H](CC[C@]3(C1)OC(=O)c1c(NC(=O)C)cccc1)OC	InChI=1S/C32H46N2O8/c1-6-34-16-19-13-22-27(23-14-21-26(40-4)15-31(19,37)32(23,38)28(21)41-5)25(39-3)11-12-30(22,17-34)42-29(36)20-9-7-8-10-24(20)33-18(2)35/h7-10,19,21-23,25-28,37-38H,6,11-17H2,1-5H3,(H,33,35)/t19-,21+,22?,23?,25-,26?,27?,28-,30+,31?,32?/m0/s1	C32H46N2O8	586.716	10	3	126.79	6	9	0	-3.5913	2.43759	3.88	3.061	121.2098	156.8533	4.42	556.122255040557
Cond-000545	NP277	NP277	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.6573742701	[C@@H]12C[C@H]3C(CC)CN1CCC12c2c(cccc2)N(C)C1=C3C=O	InChI=1S/C20H24N2O/c1-3-13-11-22-9-8-20-16-6-4-5-7-17(16)21(2)19(20)15(12-23)14(13)10-18(20)22/h4-7,12-14,18H,3,8-11H2,1-2H3/t13?,14-,18-,20?/m0/s1	C20H24N2O	308.417	3	0	23.55	5	2	0	-0.701199999999998	3.64837	3.33	3.508	65.7452	94.876	2.4269	299.395311327029
Cond-000546	NP278	NP278	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.0855151629	CN(CCCCc1cnc(C)c2c1c1c([nH]2)cccc1)C(=O)C	InChI=1S/C19H23N3O/c1-13-19-18(16-9-4-5-10-17(16)21-19)15(12-20-13)8-6-7-11-22(3)14(2)23/h4-5,9-10,12,21H,6-8,11H2,1-3H3	C19H23N3O	309.405	4	1	48.99	3	6	0	-1.0055	4.16220000000001	3.11	3.373	42.9959	99.512	2.517	290.736086909329
Cond-000547	NP279	NP279	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.2748249561	[C@@H]12CCC(OC)C34C5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)C(CC13)[C@@H]4N(CC)C2	InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19-,20-,21-,22?/m0/s1	C22H35NO4	377.518	5	2	62.16	6	3	0	-2.448	1.5146	3.33	0.993	95.7796	100.0436	2.8914	361.08703527548
Cond-000548	NP28	NP28	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	17.6869466943	[C@@H]12CC[C@@H](C)C3CC[C@]4(C)OOC13C(O[C@H](O)[C@@H]2C)O4	InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10?,11+,12+,13?,14+,15?/m1/s1	C15H24O5	284.348	5	1	57.15	3	0	0	0.2487	2.1867	2.56	2.815	61.6033	69.0468	2.0812	262.521526788406
Cond-000549	NP281	NP281	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.5104539461	C/C/1=C\CC(OC(=O)c2ccc(O)cc2)/C(=C/C(O)C(C)(C)CCC1)/C	InChI=1S/C22H30O4/c1-15-6-5-13-22(3,4)20(24)14-16(2)19(12-7-15)26-21(25)17-8-10-18(23)11-9-17/h7-11,14,19-20,23-24H,5-6,12-13H2,1-4H3/b15-7+,16-14+	C22H30O4	358.471	4	2	66.76	2	3	0	1.7225	4.59207000000001	3.44	4.506	78.1368	105.5616	2.968	372.797357665713
Cond-000550	NP282	NP282	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.1845808347	COc1c2ccoc2nc2c(OC)c(O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc12	InChI=1S/C19H21NO8/c1-8-13(21)14(22)15(23)19(27-8)28-11-5-4-9-12(17(11)25-3)20-18-10(6-7-26-18)16(9)24-2/h4-8,13-15,19,21-23H,1-3H3/t8-,13-,14+,15+,19-/m1/s1	C19H21NO8	391.372	9	3	123.64	4	4	0	-1.9649	2.11048	2.56	0.7	49.8505	100.7044	2.6627	320.554153396924
Cond-000551	NP284	NP284	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.6385383311	[C@@H]12[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)/C(=C/C)/C	InChI=1S/C20H30O4/c1-7-14(5)18(22)24-15-10-13(4)11-16(21)19(6)8-9-20(23,12(2)3)17(15)19/h7,11-12,15,17,23H,8-10H2,1-6H3/b14-7+/t15-,17+,19+,20+/m0/s1	C20H30O4	334.45	4	1	63.6	2	4	0	2.2019	3.67317	3.22	2.573	94.9077	96.0138000000001	2.7722	354.37830581558
Cond-000552	NP285	NP285	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	12.9472392638	Cc1c2c(O)cc3c4c2c(c(O)c1)C(=O)c1c4c(c(O)cc1O)C(=O)C3(C)C	InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3	C22H16O6	376.359	6	4	115.06	5	0	0	-0.8126	4.13349	3.22	0.598000000000001	40.0772	109.2161	2.5876	320.962600161235
Cond-000553	NP286	NP286	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	103.3058794	[Na+].[Na+].Cc1c2[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\2)/C(=C5C=C)C)/c(C)c4C=C)C(=C3CCC(=O)[O-])C)c1CCC(=O)[O-]	InChI=1S/C34H34N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;	C34H32N4Na2O4	606.622	8	2	137.62	5	8	0	1.6546	3.70868000000001	4.32	3.944	93.3718	166.736	4.3022	539.10225089838
Cond-000554	NP287	NP287	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.0142681841	COc1ccc(cc1OC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C	InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13+,14+	C17H23NO4	305.369	5	0	48	3	5	0	-1.3824	2.45419	2.78	2.442	51.3581	85.5780000000001	2.3407	290.230653445345
Cond-000555	NP288	NP288	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	95.2767756887	CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3	C37H67NO13	733.927	14	5	193.91	3	7	1	-2.4621	2.01949000000001	3.99	1.141	181.4808	189.501	5.77300000000002	731.435303669326
Cond-000556	NP29	NP29	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.7443963082	COc1ccc2C[N+](C)(C)CCC34C=C[C@H](O)CC3Oc1c24	InChI=1S/C18H24NO3/c1-19(2)9-8-18-7-6-13(20)10-15(18)22-17-14(21-3)5-4-12(11-19)16(17)18/h4-7,13,15,20H,8-11H2,1-3H3/q+1/t13-,15?,18?/m0/s1	C18H24NO3+	302.388	4	1	38.69	4	1	0	-1.9175	1.58159	3	0.871	59.4156	83.1222000000001	2.3358	287.698182020251
Cond-000557	NP290	NP290	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.1533742331	[C@H]1(CCCC(=O)O)NCC2CCCN3CCC[C@@H]1[C@@H]23	InChI=1S/C15H26N2O2/c18-14(19)7-1-6-13-12-5-3-9-17-8-2-4-11(10-16-13)15(12)17/h11-13,15-16H,1-10H2,(H,18,19)/t11?,12-,13+,15+/m0/s1	C15H26N2O2	266.379	4	2	52.57	3	4	0	-1.9312	1.93759	2.67	1.273	65.0545	77.3295000000001	2.1703	267.864367103056
Cond-000558	NP292	NP292	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.267219342	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(O1)c(C)c(C)c(O)c2C	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3	C29H50O2	430.706	2	1	29.46	2	12	2	3.2935	8.97986	4.43	10.938	104.8267	136.112	3.9659	484.198172748059
Cond-000559	NP293	NP293	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	81.3430024487	[C@@H]12CC[C@]3(OC4C[C@H](C)CN[C@H]4[C@H]3C)C(=C1C(=O)[C@H]1C2CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C	InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21?,22?,23+,25+,26-,27+,29-,30+,31?,32-,33-/m0/s1	C33H49NO8	587.744	9	5	137.71	7	3	0	-1.7593	2.09137000000001	4.1	0.772	150.9846	155.7519	4.43850000000001	566.237938159057
Cond-000560	NP294	NP294	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.4561383496	[C@@H]1(OC(=O)c2c1ccc(OC)c2OC)[C@@H]1N(C)CCc2c1c(OC)c1OCOc1c2	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1	C22H23NO7	413.421	8	0	75.69	5	4	0	-0.267299999999999	3.27899	3	2.133	60.2657	112.014	2.8751	359.558963172363
Cond-000561	NP296	NP296	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.8864730442	[C@H]12CO[C@H](c3ccc(OC)c(OC)c3)[C@H]1CO[C@@H]2c1cc(OC)c(OC)cc1	InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1	C22H26O6	386.438	6	0	55.38	4	6	0	-1.2052	3.61479	3.22	2.722	54.3272	103.963	2.8682	354.764893665235
Cond-000562	NP297	NP297	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.4564417178	[C@@H]12CC[C@@H]3[C@@H](C)[C@@H]4CC[C@@H](C)CN4CC3[C@@H]1C[C@H]1C2C[C@H](O)[C@H]2C[C@H](O)CC[C@]12C	InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21?,22?,23+,24-,25+,26+,27-/m1/s1	C27H45NO2	415.652	3	2	43.7	6	0	1	-1.5405	4.56320000000001	4.1	5.545	111.0412	119.7926	3.4785	429.986505003692
Cond-000563	NP299	NP299	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.7609778398	Cn1c(=O)c2c(O[C@](C)(CO)C(O)C2)c2c1cccc2	InChI=1S/C15H17NO4/c1-15(8-17)12(18)7-10-13(20-15)9-5-3-4-6-11(9)16(2)14(10)19/h3-6,12,17-18H,7-8H2,1-2H3/t12?,15-/m1/s1	C15H17NO4	275.3	5	2	70	3	1	0	-1.6036	0.957480000000001	2.56	1.527	49.3237	76.1526	2.0159	253.002225492812
Cond-000564	NP3	NP3	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	68.0705436791	CC(=C)C(=O)O[C@H]1CC(=C)C2C[C@@H](O)[C@@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12	InChI=1S/C19H23ClO6/c1-8(2)17(22)25-12-5-9(3)11-6-13(21)19(24,7-20)15(11)16-14(12)10(4)18(23)26-16/h11-16,21,24H,1,3-7H2,2H3/t11?,12-,13+,14?,15?,16-,19-/m0/s1	C19H23ClO6	382.835	6	2	93.06	3	4	0	1.0662	1.51136	2.78	1.331	91.3162	96.6676	2.7195	354.880924959668
Cond-000565	NP30	NP30	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.2319018405	[C@@H]12CCCN1CC[C@H]2COC(=O)C(O)(C(C)C)C(C)O	InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13-,15?/m0/s1	C15H27NO4	285.379	5	2	70	2	6	0	-1.8953	1.01569	2.56	0.599	69.2584	78.3726	2.2965	286.804518996812
Cond-000566	NP301	NP301	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.4257668712	CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2NC(=N)N)O[C@@H](C)[C@]1(O)CO	InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,21+/m0/s1	C21H41N7O12	583.59	19	17	334.59	3	11	3	-6.1067	-7.95093999999999	1.68	-3.775	123.1452	133.9067	4.05870000000001	511.889884203903
Cond-000567	NP302	NP302	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	65.5609043827	C/C=C(/C)\C(=O)OC1C(OC(=O)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12	InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-	C21H22O7	386.395	7	0	88.13	3	5	0	1.7906	3.96456000000001	3	3.54	77.059	105.157	2.8086	364.24267703913
Cond-000568	NP303	NP303	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.369749482	CCN1C[C@@]2(CCC(OC)C34C5C[C@H]6C(OC)[C@]5(O)[C@](O)(C[C@@H]6OC)C(CC23)[C@H]14)OC(=O)c1ccccc1NC(=O)C	InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20?,22+,23?,24?,25?,26+,27?,29-,30+,31?,32+/m1/s1	C32H44N2O8	584.7	10	3	126.79	7	9	0	-3.1734	2.18999	3.88	2.86	121.2534	154.7173	4.3114	543.765796339757
Cond-000569	NP304	NP304	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	45.3469005955	[C@@H]12CC[C@]3(C)OO[C@]41C(CC[C@H]2C)[C@@H](C)C(=O)O[C@@H]4O3	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11?,13-,14+,15-/m1/s1	C15H22O5	282.332	5	0	53.99	3	0	0	0.801200000000003	2.62879	2.56	3.039	61.3526	71.29	2.0382	259.885068087606
Cond-000570	NP305	NP305	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	49.2480931643	CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21+/m0/s1	C21H30O2	314.462	2	0	34.14	4	1	0	0.917199999999998	4.88358000000001	3.55	4.826	91.9078	93.8540000000001	2.6215	332.017378339524
Cond-000571	NP306	NP306	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	100.319018405	COc1c(OC)c2c(cc1)c(OC)c(C=O)c(=O)[nH]2	InChI=1S/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16)	C13H13NO5	263.246	6	1	73.86	2	4	0	-1.1572	2.04628	2.23	1.026	44.109	71.6547	1.8584	236.920482941639
Cond-000572	NP307	NP307	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	102.090789226	[C@H]12Cc3c(CN1CCc1cc(OC)c(OC)cc21)c(OC)c(OC)cc3	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1	C21H25NO4	355.427	5	0	40.16	4	4	0	0.0968000000000007	3.2514	3.22	2.548	54.3007	100.444	2.7097	330.885215846413
Cond-000573	NP308	NP308	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.7850608017	CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CCC34C)C2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3/t23?,24-,25-,26-,27?,28?,29?,30+,31-,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,45?,46-,47?,48?/m1/s1	C48H78O18	943.122	18	11	294.98	8	10	2	-3.26840000000001	0.300580000000012	4.76	4.672	231.2907	233.144799999999	6.97360000000003	892.863214344497
Cond-000574	NP309	NP309	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.5926380368	[C@H]12CCCN[C@H]1C1CCC2N2CCc3c([nH]c4c3cccc4)[C@H]12	InChI=1S/C20H25N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-2,4,6,14-15,17-18,20-22H,3,5,7-11H2/t14-,15?,17?,18-,20+/m1/s1	C20H25N3	307.433	3	2	31.06	4	0	0	-1.377	2.8644	3.33	3.205	53.9003	93.4377000000001	2.4024	280.981844834635
Cond-000575	NP31	NP31	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	90.0016723607	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1	C10H12N4O4	252.227	8	3	108.97	3	2	0	-1.9755	-1.08812	1.68	-1.514	42.2359	63.8303	1.6538	202.149041688778
Cond-000576	NP310	NP310	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.4815204147	OC[C@@H]1O[C@@H](Oc2cc3c(oc(=O)cc3)cc2O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15+/m0/s1	C15H16O9	340.282	9	5	145.91	3	3	0	-2.3975	-0.944930000000001	2.12	-0.539	54.0777	81.413	2.2096	285.956598787451
Cond-000577	NP311	NP311	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.5306084008	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2OC(=O)CCOC(=O)CC)N(C)C)C(C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)17-18-54-30(45)16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27-,28+,29-,32?,34+,35-,36-,37-,38-,40?,41?,42+,43-/m1/s1	C43H75NO16	862.053	17	4	226.28	3	14	2	-2.0515	2.91369000000001	4.32	1.995	211.2089	219.241199999999	6.70850000000002	856.308974124608
Cond-000578	NP312	NP312	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	96.2921970116	CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1C([C@@H](O)C23)[C@@]1(O)CC[C@H]2CC4C1C(=O)O2	InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12?,13-,14?,15?,16+,17?,18+,20-,21+,22-/m0/s1	C22H33NO5	391.501	6	2	79.23	5	2	0	-1.8885	1.41919	3.22	0.845	96.3443	103.4966	2.9071	367.240803275241
Cond-000579	NP313	NP313	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.324268212	COc1cc2c(cc1OC)C1C(CO2)Oc2c(ccc3c2CC(O3)C(=C)CO)C1=O	InChI=1S/C23H22O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3	C23H22O7	410.417	7	1	83.45	5	4	0	-0.938000000000001	3.57186	3.22	1.039	61.0338	114.1898	2.8732	363.221728889263
Cond-000580	NP314	NP314	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.3703712615	CN1C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)N3C)(c2ccccc2)c2c1cccc2	InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3	C34H42N2O4	542.708	6	0	59.08	7	7	1	-2.7541	5.18809000000001	4.54	8.046	89.0123	155.323	4.2294	524.387482686847
Cond-000581	NP315	NP315	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	94.8220858896	[Na+].Nc1nc(=O)n(cc1)C1O[C@@H](COP(=O)(O)[O-])[C@H](O)[C@H]1O	InChI=1S/C9H14N3O8P.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7+,8?;/m0./s1	C9H13N3NaO8P	345.178	11	5	187.78	2	4	1	-3.5551	-4.34123	1.13	-3.851	60.8442	61.6148	1.9826	253.419145116189
Cond-000582	NP316	NP316	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.7717791411	[Na+].Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)[O-])[C@H](O)[C@H]2O)c(=O)[nH]1	InChI=1S/C10H14N5O8P.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);/q;+1/p-1/t3-,5-,6+,9-;/m0./s1	C10H13N5NaO8P	385.202	13	6	214.39	3	4	1	-2.7358	-4.32592	1.02	-4.098	54.457	70.8085	2.1715	266.815732756789
Cond-000583	NP317	NP317	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	53.3202453988	CN1C2CC(CC1C1OC21)OC(=O)C1CCC(C(=O)OC2CC3C4OC4C(C2)N3C)(c2ccccc2)c2c1cccc2	InChI=1S/C34H38N2O6/c1-35-24-14-19(15-25(35)29-28(24)41-29)39-32(37)22-12-13-34(18-8-4-3-5-9-18,23-11-7-6-10-21(22)23)33(38)40-20-16-26-30-31(42-30)27(17-20)36(26)2/h3-11,19-20,22,24-31H,12-17H2,1-2H3	C34H38N2O6	570.675	8	0	84.14	9	7	1	-2.1119	3.16249	4.32	5.962	94.1957	154.177	4.12960000000001	517.255018686369
Cond-000584	NP318	NP318	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	102.302023682	NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)	C20H32N6O12S2	612.631	18	12	368.24	0	25	3	-5.3322	-3.64290999999999	1.46	-6.622	129.4356	143.0018	4.2128	541.865811382669
Cond-000585	NP319	NP319	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.5263803681	[Na+].Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)[O-])[C@H](O)[C@H]1O	InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7+,10-;/m0./s1	C10H13N5NaO7P	369.203	12	5	198.71	3	4	1	-2.8927	-2.95101	1.13	-3.467	42.5379	66.7728	2.1128	247.125506056228
Cond-000586	NP32	NP32	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.6180071577	OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1	C24H42O21	666.578	21	14	347.83	4	13	3	-7.9047	-9.744	1.79	-6.437	134.4755	133.9522	4.28850000000001	558.829015630185
Cond-000587	NP321	NP321	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0478333053	[C@H]1(OC(=O)c2c1ccc1c2OCO1)[C@H]1N(C)CCc2c1cc1OCOc1c2	InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1	C20H17NO6	367.352	7	0	66.46	6	1	0	-0.414599999999999	2.92718	2.89	2.504	45.7904	98.215	2.426	303.820308519268
Cond-000588	NP322	NP322	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.5837443757	Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3C(=O)OC(O)c3c1O2	InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3	C18H12O10	388.282	10	4	159.82	4	2	0	-1.5841	0.907910000000001	2.34	0.72	44.1466	92.3692	2.4104	312.832485861612
Cond-000589	NP323	NP323	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	28.5176116029	CC1=CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3/t18-,20-,24+/m1/s1	C24H28O4	380.477	4	0	52.6	4	3	0	1.9587	5.45356000000001	3.66	4.458	86.193	112.061	2.9896	380.039950815047
Cond-000590	NP324	NP324	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.889026925	C[N+]1(C)CCc2cc3c(OCO3)c3c2C1Cc1c3cc(O)cc1	InChI=1S/C19H19NO3/c1-20(2)6-5-12-8-16-19(23-10-22-16)18-14-9-13(21)4-3-11(14)7-15(20)17(12)18/h3-4,8-9,15H,5-7,10H2,1-2H3/p+1	C19H20NO3+	310.367	4	1	38.69	5	0	0	-1.7231	3.59628	3.11	1.898	38.8574	91.3764000000001	2.2821	276.464790543718
Cond-000591	NP325	NP325	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	73.5169744607	CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2	InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)	C26H30O8	470.512	8	3	130.36	3	11	2	-3.1628	6.01468000000001	3.44	5.914	68.8361	129.3699	3.5288	445.976368168225
Cond-000592	NP326	NP326	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	64.2146341463	[C@@H]12[NH+]3CCC41c1c(NC4=C(CC2(CC)CCC3)C(=O)OC)cccc1	InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20?,21?/m0/s1	C21H27N2O2+	339.451	4	2	42.77	5	3	0	-2.0014	2.78827	3.33	3.795	68.9582	99.6774	2.648	326.799752003858
Cond-000593	NP327	NP327	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.1024390244	[C@H]12CCCCN1CCC[C@H]2COC(=O)/C=C/c1ccc(OC)cc1	InChI=1S/C20H27NO3/c1-23-18-10-7-16(8-11-18)9-12-20(22)24-15-17-5-4-14-21-13-3-2-6-19(17)21/h7-12,17,19H,2-6,13-15H2,1H3/b12-9+/t17-,19+/m0/s1	C20H27NO3	329.433	4	0	38.77	3	6	0	-0.986700000000002	3.56728	3.22	4.218	63.1845	97.1040000000001	2.6617	330.691921921585
Cond-000594	NP328	NP328	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	79.0596554937	COc1cc(/C=C/C)ccc1OC(C)[C@@H](O)c1cc(OC)c(O)cc1	InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5-13,20-22H,1-4H3/b6-5+/t13?,20-/m1/s1	C20H24O5	344.402	5	2	68.15	2	7	0	-0.320500000000001	4.29097000000001	3.11	3.98	50.1255	100.0508	2.7019	333.459156413741
Cond-000595	NP329	NP329	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	71.481472633	CC1C2NCC(C)CC2OC21CCC1C3CC=C4CC(CC[C@]4(C)C3C(=O)C1=C2C)OC1OC(O)C(O)C(O)C1CO	InChI=1S/C33H49NO8/c1-15-11-23-26(34-13-15)17(3)33(42-23)10-8-20-21-6-5-18-12-19(40-31-22(14-35)27(36)29(38)30(39)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19?,20?,21?,22?,23?,25?,26?,27?,29?,30?,31?,32-,33?/m0/s1	C33H49NO8	587.744	9	5	137.71	7	3	0	-1.8324	2.29647000000001	4.1	1.104	150.1691	155.4539	4.43850000000001	566.237938159057
Cond-000596	NP33	NP33	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	83.1452563702	CC(C)CCC(O)[C@@H](C)C1C(CC2C3CC=C4C[C@@H](O)CC(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)[C@]4(C)C3CC[C@]12C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O	InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30-,31-,32?,33?,34?,35?,36-,37+,38+,39+/m1/s1	C39H66O14	758.933	14	10	239.22	6	11	3	-4.0447	-0.124309999999992	4.21	2.469	184.1197	188.219	5.73090000000002	729.387822011853
Cond-000597	NP330	NP330	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.5290536801	C(=C(\C)/C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)[C@H]12)/C	InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14?,16-,17+,21?/m0/s1	C21H33NO7	411.489	8	2	105.53	2	10	0	0.440600000000001	1.04507	2.89	0.514	106.5696	108.7526	3.189	409.041730751297
Cond-000598	NP331	NP331	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.3663771324	COc1ccc(cc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2O	InChI=1S/C16H21NO5/c1-20-14-6-3-10(7-15(14)21-2)16(18)22-13-8-11-4-5-12(9-13)17(11)19/h3,6-7,11-13,19H,4-5,8-9H2,1-2H3/t11-,12+,13?	C16H21NO5	307.342	6	1	68.23	3	5	0	-1.945	2.21359	2.56	1.554	48.226	81.4405000000001	2.2585	281.72489552004
Cond-000599	NP332	NP332	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	101.389427574	CC(C)CC(=O)O[C@H]1CC(=C2C([C@H]3OC(=O)[C@@H](C)C13)C(=CC2=O)C)C	InChI=1S/C20H26O5/c1-9(2)6-15(22)24-14-8-11(4)16-13(21)7-10(3)17(16)19-18(14)12(5)20(23)25-19/h7,9,12,14,17-19H,6,8H2,1-5H3/t12-,14-,17?,18?,19+/m0/s1	C20H26O5	346.417	5	0	69.67	3	4	0	1.5072	3.07367	3.11	1.96	92.2502	94.143	2.6793	348.175615114541
Cond-000600	NP333	NP333	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.9521472393	CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3	InChI=1S/C30H48O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24H,8-18H2,1-7H3/t19?,20?,21?,23?,24?,27-,28+,29+,30?/m0/s1	C30H48O2	440.701	2	0	26.3	6	0	1	2.6641	7.67969000000001	4.54	8.743	131.1151	132.436	3.7584	468.241239972326
Cond-000601	NP334	NP334	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	79.1038306222	CC(=O)O[C@H]1CC[C@@]2(C)[C@H](COc3cc4c(ccc(=O)o4)cc3)C(=C)CC[C@@H]2C1(C)C	InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22-,23+,26+/m1/s1	C26H32O5	424.529	5	0	61.83	4	5	1	1.6214	5.81616000000001	3.77	5.85	93.1017	122.608	3.3301	423.422146767341
Cond-000602	NP335	NP335	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	45.7940129488	CCCCCc1c2Oc3c(c(cc(OC)c3)C(=O)CCCC)C(=O)Oc2cc(O)c1C(=O)O	InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)	C25H28O8	456.485	8	2	119.36	3	10	1	-2.5011	5.99868	3.33	5.872	66.1265	125.2596	3.3879	428.680383542358
Cond-000603	NP336	NP336	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.1921994177	COc1c(C=O)c2c(c(C)c1)C(=O)Oc1c(C)c(O)c3C(=O)OC(O)c3c1O2	InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3	C19H14O9	386.309	9	2	128.59	4	2	0	-0.0848999999999992	2.08613	2.56	1.513	47.1231	95.7296	2.4926	321.338243786918
Cond-000604	NP337	NP337	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.1306994538	CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)(C(OC)C23)C14	InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30?,33?,34+,35-,36+,37+/m1/s1	C37H50N2O10	682.8	12	2	144.3	8	10	1	-3.5049	2.00349000000001	4.21	1.848	146.1722	177.4366	4.98170000000001	632.833255468611
Cond-000605	NP338	NP338	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.1006044389	COc1c(O)c2c3C(Cc4cccc(OC)c24)[N+](C)(C)CCc3c1	InChI=1S/C20H23NO3/c1-21(2)9-8-13-11-16(24-4)20(22)19-17(13)14(21)10-12-6-5-7-15(23-3)18(12)19/h5-7,11,14H,8-10H2,1-4H3/p+1	C20H24NO3+	326.409	4	1	38.69	4	2	0	-1.524	3.38399	3.22	2.182	46.0169	96.2964000000001	2.5316	306.117233870385
Cond-000606	NP34	NP34	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.663138782	OCC1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)[C@@H]1O	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16?,18-,19?,20?,21-/m1/s1	C21H24O10	436.409	10	7	177.14	3	7	1	-3.7547	-0.234009999999997	2.67	0.441	57.4323	107.9466	3.0277	382.349815841613
Cond-000607	NP340	NP340	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.1705521472	CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O	InChI=1S/C30H46O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-20,22-23H,8-17H2,1-7H3/t18?,19?,20?,22?,23?,27-,28+,29+,30?/m0/s1	C30H46O3	454.684	3	0	43.37	6	0	1	2.7155	7.20629000000001	4.43	8.238	131.0755	132.576	3.7741	474.395007972087
Cond-000608	NP341	NP341	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	40.6871165644	CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3[C@@]2(C)C1=O	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1	C18H16O7	344.315	7	2	117.97	3	2	0	-1.4263	2.30559	2.67	-0.526	65.7986	91.3833	2.3859	312.354723161529
Cond-000609	NP343	NP343	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	32.85345988	CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m1/s1	C24H30O4	382.493	4	1	55.76	4	3	1	1.389	5.24536000000001	3.66	5.065	85.1719	113.0608	3.0326	382.676409515847
Cond-000610	NP344	NP344	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	54.557182789	CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C	InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+	C19H22O3	298.376	3	0	35.53	2	6	1	2.9159	5.09465	3.22	5.074	66.887	92.73	2.4436	309.482718386751
Cond-000611	NP345	NP345	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	111.607361963	CC1(C)CCC2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23?,27-,28+,29+,30?/m0/s1	C30H48O3	456.7	3	2	57.53	5	1	1	2.1298	7.39368000000001	4.43	9.052	134.0329	135.6546	3.8827	486.751466672887
Cond-000612	NP346	NP346	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.7846729484	C(=O)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)c1ccc(OC)c(OC)c1	InChI=1S/C17H21NO5/c1-21-15-6-3-11(7-16(15)22-2)17(20)23-14-8-12-4-5-13(9-14)18(12)10-19/h3,6-7,10,12-14H,4-5,8-9H2,1-2H3/t12-,13+,14?	C17H21NO5	319.352	6	0	65.07	3	6	0	-2.2016	2.24629	2.67	1.995	51.5573	85.9395000000001	2.3564	296.384421445107
Cond-000613	NP347	NP347	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.8262417278	Nc1nc2c([nH]c(=O)n2C2OC(CO)C(O)C2O)c(=O)[nH]1	InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)	C10H13N5O6	299.24	11	7	169.74	3	2	2	-2.7328	-3.77572	1.35	-2.862	61.1672	67.8952	1.871	241.626255298067
Cond-000614	NP348	NP348	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	97.2827450891	COc1c2ccoc2nc2c1ccc(OC(=O)C)c2OC	InChI=1S/C15H13NO5/c1-8(17)21-11-5-4-9-12(14(11)19-3)16-15-10(6-7-20-15)13(9)18-2/h4-7H,1-3H3	C15H13NO5	287.267	6	0	70.79	3	4	0	-0.338900000000001	4.06337	2.45	1.845	27.9668	82.2730000000001	1.9886	234.719534791773
Cond-000615	NP349	NP349	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	70.2295912273	C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2O	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14?,15?,16?,17?,18-,19-/m0/s1	C19H26O2	286.409	2	1	37.3	4	0	0	0.525399999999997	3.74147	3.33	4.103	82.767	85.3258000000001	2.3397	297.42540908779
Cond-000616	NP35	NP35	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.9931426097	CCN1C[C@]2(CO)CC[C@H](OC)C34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)C(O)([C@@H](OC)C23)[C@H]14	InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21-,22+,23-,24?,25?/m1/s1	C25H41NO7	467.596	8	3	100.85	6	6	0	-3.4454	0.271000000000001	3.33	-0.217	116.1588	118.5024	3.4902	439.345669254764
Cond-000617	NP350	NP350	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	68.13675132	COc1c2ccccc2nc2c1CC(O2)[C@@](C)(O)COC(=O)C	InChI=1S/C17H19NO5/c1-10(19)22-9-17(2,20)14-8-12-15(21-3)11-6-4-5-7-13(11)18-16(12)23-14/h4-7,14,20H,8-9H2,1-3H3/t14?,17-/m0/s1	C17H19NO5	317.336	6	1	77.88	3	5	0	-0.5692	3.00087	2.67	2.29	44.2266	90.0168	2.3134	282.847962744306
Cond-000618	NP351	NP351	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.4781040208	OCC1OC(CO)(OCC2OC(OCC3(OCC4(OCC5OC(CO)(OCC6(OCC7OC(CO)(OCC8(OCC9(OC%10OC(CO)C(O)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)C(O)C7O)OCC(O)C6O)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C58H98O49/c59-1-20-29(69)38(78)40(80)50(98-20)107-58(48(88)35(75)25(6-64)104-58)18-97-57(47(87)34(74)24(5-63)103-57)17-95-53(13-67)44(84)36(76)27(105-53)9-92-54(41(81)19(68)7-90-54)15-94-52(12-66)43(83)37(77)28(106-52)10-93-56(46(86)33(73)23(4-62)102-56)16-96-55(45(85)32(72)22(3-61)101-55)14-89-49-39(79)30(70)26(99-49)8-91-51(11-65)42(82)31(71)21(2-60)100-51/h19-50,59-88H,1-18H2	C58H98O49	1579.37	49	30	782.27	10	35	3	-17.6157	-21.5126	2.45	-15.388	319.2173	317.848999999999	10.0711	1318.88008832058
Cond-000619	NP352	NP352	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.5175525132	C(N1CCCCC1c1cnccc1)N1CCCCC1c1cnccc1	InChI=1S/C21H28N4/c1-3-13-24(20(9-1)18-7-5-11-22-15-18)17-25-14-4-2-10-21(25)19-8-6-12-23-16-19/h5-8,11-12,15-16,20-21H,1-4,9-10,13-14,17H2	C21H28N4	336.474	4	0	32.26	4	4	0	-1.7737	3.5061	3.33	3.613	43.7197	98.3810000000001	2.7743	328.714589668669
Cond-000620	NP353	NP353	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	65.9196789068	[C@@H]1(Cc2c[nH]c3c2cccc3)NC(=O)C(Cc2c[nH]c3c2cccc3)NC1=O	InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20?/m0/s1	C22H20N4O2	372.42	6	4	89.78	5	4	0	-2.2998	2.49807	3.22	3.982	37.8594	114.0564	2.752	318.888734191658
Cond-000621	NP354	NP354	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.0795088038	OC[C@H]1O[C@H](CC1O)n1cnc2c1[nH]cnc2=O	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5?,6-,7-/m1/s1	C10H12N4O4	252.227	8	3	108.97	3	2	0	-2.6217	-0.29723	1.68	-0.858	42.0359	64.9003	1.6538	202.149041688778
Cond-000622	NP355	NP355	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.2020644354	CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5C[C@H]6[C@H](OC(=O)C)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14	InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23?,25+,26?,28?,29+,30?,31+,34?,35+,36-,37?,38+/m1/s1	C38H50N2O11	710.81	13	2	161.37	8	11	2	-3.5343	1.92019000000001	4.21	2.069	150.5725	182.1936	5.13830000000001	656.283008094238
Cond-000623	NP356	NP356	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.9044055725	[C@H]1(CO)C2Nc3c(cccc3)C32CCN2CC(=CC)[C@@H]1CC32	InChI=1S/C19H24N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,13-14,17-18,20,22H,7-11H2,1H3/t13-,14+,17?,18?,19?/m0/s1	C19H24N2O	296.407	3	2	35.5	5	1	0	-0.420800000000001	2.90738	3.22	2.705	62.4258	87.9215000000001	2.329	284.735785401963
Cond-000624	NP357	NP357	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.9570552147	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1	InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20?,22?,23?,24?,27-,28+,29+,30-,31-/m1/s1	C31H48O4	484.71	4	1	63.6	5	2	1	1.9341	6.66108000000001	4.43	7.066	139.0494	140.4248	4.0393	510.201219298514
Cond-000625	NP358	NP358	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	73.6682926829	[C@H]12CCCCN1CCC[C@H]2COC(=O)/C=C/c1ccc(OC)c(OC)c1	InChI=1S/C21H29NO4/c1-24-19-10-8-16(14-20(19)25-2)9-11-21(23)26-15-17-6-5-13-22-12-4-3-7-18(17)22/h8-11,14,17-18H,3-7,12-13,15H2,1-2H3/b11-9+/t17-,18+/m0/s1	C21H29NO4	359.459	5	0	48	3	7	0	-1.0385	3.57588000000001	3.22	3.563	70.5003	103.656	2.8613	356.778133248013
Cond-000626	NP359	NP359	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.9931426097	[C@@H]12C(O)CCN1CC=C2COC(=O)C(O)(C(C)C)C(C)OC	InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11?,13?,14-,16?/m1/s1	C16H27NO5	313.389	6	2	79.23	2	7	0	-0.8432	0.48688	2.56	-0.313	80.4446	84.2586	2.4531	310.25427162244
Cond-000627	NP36	NP36	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	33.5938971558	CC(=O)OC1CC[C@@]2(C)[C@H](COc3cc4c(ccc(=O)o4)cc3)[C@](C)(O)CCC2C1(C)C	InChI=1S/C26H34O6/c1-16(27)31-22-11-12-25(4)20(24(22,2)3)10-13-26(5,29)21(25)15-30-18-8-6-17-7-9-23(28)32-19(17)14-18/h6-9,14,20-22,29H,10-13,15H2,1-5H3/t20?,21-,22?,25+,26+/m0/s1	C26H34O6	442.545	6	1	82.06	4	5	1	0.725200000000003	5.08477000000001	3.66	5.228	93.591	124.3618	3.4318	434.848832168703
Cond-000628	NP360	NP360	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.2421982147	CC(=CCOc1c2ccc(=O)oc2cc2c1cco2)C	InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3	C16H14O4	270.28	4	0	48.67	3	3	0	1.5296	4.18816	2.78	2.891	44.5883	79.781	1.971	243.128532508911
Cond-000629	NP361	NP361	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.8419672289	O=c1cccc2[C@@H]3C[C@@H](CN(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)C3)Cn12	InChI=1S/C23H28N4O2/c28-22-5-1-3-20-18-7-16(11-26(20)22)9-24(13-18)15-25-10-17-8-19(14-25)21-4-2-6-23(29)27(21)12-17/h1-6,16-19H,7-15H2/t16-,17+,18+,19-	C23H28N4O2	392.494	6	0	47.1	6	2	0	-1.5035	1.35055	3.33	-0.0970000000000001	113.9077	111.242	2.9563	377.974094919925
Cond-000630	NP362	NP362	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	59.4650593332	CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c3oc(=O)ccc3ccc2OC1(C)C	InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11?,18-,19-/m1/s1	C21H24O7	388.411	7	0	88.13	3	6	0	0.494999999999998	4.11827000000001	3	3.658	74.8903	105.451	2.8516	366.87913573993
Cond-000631	NP363	NP363	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	75.9846971921	[C@@H]12C3CCN1CC=C2COC(=O)C(C)(O)C(C)(O)[C@@H](C(C)C)C(=O)O3	InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17?,18?/m0/s1	C18H27NO6	353.41	7	2	96.3	3	1	0	-0.434000000000003	0.40358	2.67	1.095	87.5135	91.4486	2.642	338.643550173135
Cond-000632	NP364	NP364	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.5763910457	COc1ccc(/C=C/C(=O)N2C[C@H]3CC(C2)c2cccc(=O)n2C3)cc1OC	InChI=1S/C22H24N2O4/c1-27-19-8-6-15(11-20(19)28-2)7-9-21(25)23-12-16-10-17(14-23)18-4-3-5-22(26)24(18)13-16/h3-9,11,16-17H,10,12-14H2,1-2H3/b9-7+/t16-,17?/m1/s1	C22H24N2O4	380.437	6	0	59.08	4	5	0	-1.145	2.38116	3.22	1.607	84.2555	107.334	2.8644	364.805043278847
Cond-000633	NP365	NP365	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.5377397079	CCN1C[C@]2(COC)CC[C@H](OC)C34C5C[C@H]6[C@H](OC)C5[C@@]5(C[C@@H]6OC)OCOC5([C@@H](O)C23)[C@H]14	InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15?,16+,17+,18?,19+,20?,21+,22-,23+,24-,25?,26?/m1/s1	C26H41NO7	479.606	8	1	78.85	7	6	0	-2.8275	1.2907	3.44	0.319	118.5017	121.1018	3.5225	444.285195179831
Cond-000634	NP366	NP366	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.4782459903	COc1ccc(cc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)C	InChI=1S/C18H23NO5/c1-11(20)19-13-5-6-14(19)10-15(9-13)24-18(21)12-4-7-16(22-2)17(8-12)23-3/h4,7-8,13-15H,5-6,9-10H2,1-3H3/t13-,14+,15?	C18H23NO5	333.379	6	0	65.07	3	6	0	-2.1228	2.37089	2.78	2.231	55.6293	90.3350000000001	2.4973	313.680406070974
Cond-000635	NP367	NP367	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	36.1521472393	CN[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@H](N)C[C@@H](N)[C@H](O[C@H]3CC(=CCC3N)CN)[C@H]2O)OC[C@]1(C)O	InChI=1S/C20H39N5O6/c1-20(28)8-29-19(15(27)18(20)25-2)31-17-12(24)6-11(23)16(14(17)26)30-13-5-9(7-21)3-4-10(13)22/h3,10-19,25-28H,4-8,21-24H2,1-2H3/t10?,11-,12-,13+,14-,15-,16+,17-,18-,19+,20+/m1/s1	C20H39N5O6	445.554	11	12	204.49	3	6	2	-5.0023	-3.46681	2.45	-3.991	110.982	113.4037	3.409	422.495477659136
Cond-000636	NP368	NP368	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.0848029933	[C@@H]12C(CC3(CC)CCCN4CC[C@]1(c1ccccc1N2C(=O)C)[C@H]34)C(=O)OC	InChI=1S/C23H30N2O3/c1-4-22-10-7-12-24-13-11-23(21(22)24)17-8-5-6-9-18(17)25(15(2)26)19(23)16(14-22)20(27)28-3/h5-6,8-9,16,19,21H,4,7,10-14H2,1-3H3/t16?,19-,21+,22?,23-/m1/s1	C23H30N2O3	382.496	5	0	49.85	5	4	0	-0.904300000000001	3.35079	3.44	3.734	80.169	110.37	2.967	368.863718605752
Cond-000637	NP369	NP369	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.8605096849	C(CCC(=O)O)(NC(=O)c1ccc(NCc2nc3c(nc2)nc(N)nc3O)cc1)C(=O)O	InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)	C19H19N7O6	441.397	13	7	213.54	3	10	2	-3.1437	1.07227	2.12	-2.755	47.4626	115.3027	3.0377	368.128426441602
Cond-000638	NP37	NP37	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	37.9297899473	CC(C)(OC(=O)c1ccccc1)C1Cc2cc3c(oc(=O)cc3)cc2O1	InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3	C21H18O5	350.365	5	0	61.83	4	4	1	0.630899999999999	4.61066	3.22	5.579	46.4773	101.4705	2.5396	320.769306236407
Cond-000639	NP370	NP370	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.8384020442	[C@@H]12C[C@@H]3/C(=C\C)/CN1[C@H]1C[C@]4([C@@H](O)C31C(=O)OC)C2Nc1c4cccc1	InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15+,16+,17?,18-,20-,21?/m1/s1	C21H24N2O3	352.427	5	2	61.8	4	2	0	-0.126099999999999	-0.0586100000000001	3.22	0.243	101.2871	72.3348	4.151	311.015290653218
Cond-000640	NP371	NP371	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.0957055215	NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m1/s1	C18H36N4O11	484.499	15	15	282.61	3	6	2	-7.4937	-7.29139999999999	1.79	-5.486	104.1807	107.7922	3.36390000000001	423.494340402841
Cond-000641	NP373	NP373	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	66.4720286306	[C@@H]12[C@H](CC3(C)OC3[C@@H](OC(=O)C)[C@@]1(C)CC[C@@]2(O)C(C)C)OC(=O)/C(=C\C)/C	InChI=1S/C22H34O6/c1-8-13(4)19(24)27-15-11-21(7)18(28-21)17(26-14(5)23)20(6)9-10-22(25,12(2)3)16(15)20/h8,12,15-18,25H,9-11H2,1-7H3/b13-8-/t15-,16+,17+,18?,20-,21?,22+/m0/s1	C22H34O6	394.502	6	1	85.36	3	6	0	1.6699	3.32078	3.22	3.347	102.7891	106.3518	3.1058	396.830728468436
Cond-000642	NP375	NP375	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	109.928834356	Nc1nc(=O)n(cc1)[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1	C9H12N3O8P--	321.181	11	4	190.61	2	4	1	-4.2329	-4.97323	1.13	-3.851	58.5664	59.396	1.9611	252.100915765789
Cond-000643	NP376	NP376	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	100.2578084	CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C	InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1	C21H30O5	362.46	5	3	94.83	4	1	0	-0.847500000000003	1.94008	3.22	0.535	96.7385	98.0934000000001	2.7976	358.388058441208
Cond-000644	NP379	NP379	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.0756770322	COC(=O)C1CO[C@]23C4CC/C(=C\C)/CN4CCC12c1cc(O)ccc1N3C	InChI=1S/C22H28N2O4/c1-4-14-5-8-19-22-21(9-10-24(19)12-14,17(13-28-22)20(26)27-3)16-11-15(25)6-7-18(16)23(22)2/h4,6-7,11,17,19,25H,5,8-10,12-13H2,1-3H3/b14-4+/t17?,19?,21?,22-/m1/s1	C22H28N2O4	384.469	6	1	62.24	5	2	0	-0.2429	3.09707	3.22	1.62	80.8018	108.7428	2.8848	360.357960680447
Cond-000645	NP38	NP38	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	23.2932515337	[C@H]12C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@H](C)[C@@]1(CCC(C)CN1)O2	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19?,20+,21?,22-,23-,24-,25-,26-,27+/m0/s1	C27H43NO2	413.636	3	2	41.49	6	0	1	0.0107999999999982	5.21309000000001	4.1	5.845	115.8683	119.4815	3.4355	427.350046302892
Cond-000646	NP380	NP380	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.441742146	[C@@H]1(CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1	C27H44O7	480.634	7	6	138.45	4	5	1	-1.1982	2.01408000000001	3.66	1.049	126.178	129.5748	3.8034	482.380878298331
Cond-000647	NP381	NP381	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	107.376687117	O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	C10H13N4O8P	348.206	12	5	185.54	3	4	1	-2.134	-2.00032	1.13	-3.773	55.5861	76.1304	2.0932	257.137201899023
Cond-000648	NP382	NP382	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.1750679724	CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1	C18H34N2O6S	406.537	8	5	147.79	2	8	0	-2.1177	-0.623110000000001	2.45	0.69	99.4192	106.4839	3.0999	385.778710541302
Cond-000649	NP383	NP383	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	92.1521472393	CNC1C(O)[C@@H](O)C(CO)O[C@H]1OC1[C@H](OC2C(O)[C@@H](O)C(NC(=N)N)C(O)[C@@H]2NC(=N)N)O[C@@H](C)C1(O)CO	InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6?,7?,8-,9?,10-,11?,12-,13?,14?,15?,16?,17-,18-,21?/m0/s1	C21H41N7O12	583.59	19	17	334.59	3	11	3	-6.1067	-7.95093999999999	1.68	-3.775	123.1452	133.9067	4.05870000000001	511.889884203903
Cond-000650	NP384	NP384	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0535693915	[C@@H]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	C21H30O3	330.461	3	1	54.37	4	2	0	0.245199999999999	3.85598	3.44	3.789	93.61	95.2658000000001	2.6802	340.807605040085
Cond-000651	NP385	NP385	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	104.579141104	CC1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@@]21CCC(C)CO2	InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17?,18?,21?,22?,23?,24?,25?,26?,27-,28-,29+/m0/s1	C29H44O4	456.657	4	0	44.76	6	2	1	0.656199999999999	6.44478000000001	4.21	6.781	123.3389	130.221	3.6919	465.889250046781
Cond-000652	NP386	NP386	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	101.234286236	CC(C)C1OC(=O)C(C)NC(=O)c2coc(CC(=O)CC(O)/C=C(\C)/C=C/CNC(=O)/C=C/C1C)n2	InChI=1S/C26H35N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-19,24,30H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8+,16-11+	C26H35N3O7	501.572	10	3	147.83	2	1	0	0.0851000000000004	2.46555	3.22	1.695	118.4981	135.1687	3.8781	493.432880792964
Cond-000653	NP387	NP387	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0794876625	CN1[C@H]2CC(O)[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13?,14?,15+,16?/m1/s1	C17H23NO4	305.369	5	2	70	3	5	0	-2.0949	1.13559	2.78	2.508	50.6758	84.5886	2.3407	290.230653445345
Cond-000654	NP389	NP389	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.4695078825	CCN1C[C@]2(C)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)[C@@H]14	InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(25)23-13-8-12-15(27-3)10-22(26,18(13)19(12)28-4)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13?,14+,15+,16?,17+,18?,19+,20-,21+,22+,23-/m1/s1	C23H37NO4	391.544	5	2	62.16	6	3	0	-2.1595	1.9047	3.44	1.388	101.7198	104.6606	3.0323	378.383019901347
Cond-000655	NP39	NP39	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.8964023357	CNCCCCc1cnc(C)c2c1c1c([nH]2)cccc1	InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3	C17H21N3	267.369	3	2	40.71	3	5	0	-0.801	3.66941	3	3.345	33.43	86.8847000000001	2.2195	249.990349657834
Cond-000656	NP390	NP390	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.3902032808	CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C1C[C@]3(O)[C@H](O)C1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC	InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16+,17?,18-,19-,20+,21+,22+,23+,24+,25-/m1/s1	C25H41NO9	499.594	10	5	141.31	6	6	0	-4.7848	-1.7874	3.11	-1.848	118.7666	121.282	3.6076	456.926122655886
Cond-000657	NP391	NP391	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.3567527249	CCN1C[C@]2(C)CC[C@H](OC(=O)C)[C@]34C1C(CC23)[C@@]12C[C@H](C(=C)[C@H]1OC(=O)C)C(=O)CC42	InChI=1S/C26H35NO5/c1-6-27-12-24(5)8-7-21(31-14(3)28)26-19(24)9-17(22(26)27)25-11-16(18(30)10-20(25)26)13(2)23(25)32-15(4)29/h16-17,19-23H,2,6-12H2,1,3-5H3/t16-,17?,19?,20?,21+,22?,23-,24+,25-,26+/m1/s1	C26H35NO5	441.56	6	0	72.91	6	5	0	-0.6752	-1.23721	3.66	2.181	114.7933	79.043	5.6377	428.515365676307
Cond-000658	NP392	NP392	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.1174511191	COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc(C=O)c1	InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11+,12+,13-,14-/m1/s1	C14H18O8	314.288	8	4	125.68	2	5	0	-2.4514	-1.34521	2.12	-0.0679999999999999	48.5876	75.7982000000001	2.1616	274.863304862623
Cond-000659	NP393	NP393	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.1518250283	CCN1C[C@]2(C)CCC(O)[C@]34C1[C@H](CC23)[C@]12C[C@@H](C(=C)[C@H]1O)C(=O)CC42	InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13-,15?,16?,17?,18?,19+,20-,21-,22-/m0/s1	C22H31NO3	357.486	4	2	60.77	6	1	0	-1.4334	2.16008	3.44	0.701	96.4903	100.1866	2.7467	347.023891173319
Cond-000660	NP394	NP394	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	83.0446520295	CCC1[C@@H]2CC3C4N(C)c5c(cccc5)C54C[C@@H](C2[C@@H]5O)N3[C@@H]1O	InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11-,14?,15-,16?,17?,18-,19+,20?/m0/s1	C20H26N2O2	326.433	4	2	46.94	4	1	0	-2.0681	1.5545	3.22	2.61	62.5474	91.7346000000001	2.463	301.101996728391
Cond-000661	NP395	NP395	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.8917432867	[C@H]12C[C@H]3/C(=C/C)/CN1CCC12C(=C3C(=O)OC)Nc2c1cccc2O	InChI=1S/C20H22N2O3/c1-3-11-10-22-8-7-20-13-5-4-6-14(23)17(13)21-18(20)16(19(24)25-2)12(11)9-15(20)22/h3-6,12,15,21,23H,7-10H2,1-2H3/b11-3+/t12-,15+,20?/m0/s1	C20H22N2O3	338.4	5	2	61.8	5	2	0	-0.335899999999998	3.22306	3.11	2.097	72.1343	97.2375	2.5013	314.339306027352
Cond-000662	NP396	NP396	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	107.455214724	CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)[C@@H]14	InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21+,22+,23-,24+,25+/m1/s1	C25H41NO7	467.596	8	3	100.85	6	6	0	-3.4454	0.271000000000001	3.33	-0.217	116.1588	118.5024	3.4902	439.345669254764
Cond-000663	NP398	NP398	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	49.6687116564	CC1(C)CCC[C@]2(C)C(CCC(=C)C=C)[C@](C)(O)CCC12	InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16?,17?,19-,20+/m0/s1	C20H34O	290.483	1	1	20.23	2	4	1	2.6009	5.35478000000001	3.55	7.48	89.6375	90.6078000000001	2.6821	333.280543115496
Cond-000664	NP399	NP399	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.4723369305	CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@H](C[C@H]2O)OC)[C@]1(O)C[C@]2(O)[C@H](OC(=O)c3ccccc3)C1[C@]4(OC(=O)C)[C@@H](O)[C@@H]2OC	InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23?,24?,25-,26+,27-,28+,30+,31+,32+,33-,34+/m1/s1	C34H47NO12	661.736	13	4	173.68	7	11	2	-3.5396	-4.4552	3.77	-1.074	162.6756	110.8967	7.81140000000001	602.521912185568
Cond-000665	NP4	NP4	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.6895705521	CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21?,22?,25?,26?,28-,29-,30+/m1/s1	C30H50O	426.717	1	1	20.23	4	4	1	3.8675	8.33148	4.65	10.21	132.8698	132.3398	3.8739	481.527471972565
Cond-000666	NP40	NP40	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	32.3130533057	[C@@H]12CC=C(C)[C@@H](COc3cc4c(ccc(=O)o4)cc3)[C@@]1(C)CC[C@@H](O)C2(C)C	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20+,21-,24-/m1/s1	C24H30O4	382.493	4	1	55.76	4	3	1	1.389	5.24536000000001	3.66	5.065	85.1719	113.0608	3.0326	382.676409515847
Cond-000667	NP400	NP400	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	74.0629120362	C1[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCC2=CCN(C)CCC(OC(=O)[C@@]1(O)[C@H](C)O)C2=O	InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13+,16?,20-,21+/m1/s1	C21H31NO9	441.472	10	2	139.67	2	3	0	-1.404	-0.0940199999999998	2.67	0.231	105.8747	109.5986	3.2634	423.985725451619
Cond-000668	NP401	NP401	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.058839634	[C@@H]1(Cc2ccc([O-])cc2)c2c(CC[N+]1(C)C)cc(OC)c(OC)c2	InChI=1S/C20H25NO3/c1-21(2)10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3/t18-/m1/s1	C20H25NO3	327.417	4	0	41.52	3	4	0	-1.8578	3.62289	3.22	2.803	43.4523	95.0234000000001	2.6187	317.155463220785
Cond-000669	NP402	NP402	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	88.5202453988	[C@@H]12CCCN[C@H]1C1(CC(C2)[C@@H]2CCCCN2C1)[C@H]1CCCCN1	InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19+,20?/m0/s1	C20H35N3	317.512	3	2	27.3	5	1	0	-3.2912	2.7612	3.33	2.6	81.2196	94.5254000000001	2.683	325.684138338635
Cond-000670	NP403	NP403	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.3393806694	[C@H]12C[C@H]3[C@@H]4CN5C[C@H](C)CC[C@H]5[C@H](C)[C@H]4CC[C@@]3(O)[C@@H]1C[C@@H](O)[C@H]1C[C@H](O)CC[C@]21C	InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1	C27H45NO3	431.651	4	3	63.93	6	0	0	-1.9796	3.67810000000001	3.99	3.58	113.106	121.2524	3.5372	438.776731704253
Cond-000671	NP404	NP404	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.0233624604	[C@@H]1(CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)[C@@]1(C)OC(C)(C)O[C@@H]1CCC(C)(C)O	InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1	C30H48O7	520.698	7	4	116.45	5	4	0	-0.463200000000001	3.81238000000001	3.99	2.891	138.385	141.3862	4.1175	521.91237347513
Cond-000672	NP405	NP405	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.0401998585	COc1c(O)c2c(cc1)C(=O)c1ccccc1C2=O	InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3	C15H10O4	254.238	4	1	63.6	3	1	0	-1.0397	2.14459	2.67	2.245	20.5724	70.9873	1.7871	223.196089182245
Cond-000673	NP406	NP406	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.0223357897	C/C/1=C\[C@@H](O)C2[C@H](CC(=C)[C@@H](O)CC1)OC(=O)C2=C	InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12+,13-,14?/m0/s1	C15H20O4	264.317	4	2	66.76	2	0	0	0.3058	1.50486	2.67	0.293	69.5146	73.7046	2.0677	267.898382686245
Cond-000674	NP407	NP407	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.7832824042	[Na+].CC1CCN2C(C)(CO)C(O)CC[C@]2(C)C21CCC(CO)(CC(=O)[O-])O2	InChI=1S/C19H33NO6.Na/c1-13-5-9-20-16(2,11-21)14(23)4-6-17(20,3)19(13)8-7-18(12-22,26-19)10-15(24)25;/h13-14,21-23H,4-12H2,1-3H3,(H,24,25);/q;+1/p-1/t13?,14?,16?,17-,18?,19?;/m1./s1	C19H32NNaO6	393.45	7	3	113.29	3	4	0	-2.3566	-0.353209999999999	2.78	0.0559999999999997	87.627	95.3574000000001	2.8474	359.894222850202
Cond-000675	NP408	NP408	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	15.4360519872	CC1=CC2C(C)(C)CC(O)CC2(C)CC1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H30O4/c1-15-9-21-23(2,3)12-18(25)13-24(21,4)11-17(15)14-27-19-7-5-16-6-8-22(26)28-20(16)10-19/h5-10,17-18,21,25H,11-14H2,1-4H3	C24H30O4	382.493	4	1	55.76	4	3	1	1.8558	5.24536000000001	3.66	5.483	86.1894	113.0608	3.0326	382.676409515847
Cond-000676	NP409	NP409	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	97.1184777897	C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]21CCC(CO)(CCO)O2	InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15?,16+,17+,18+,19?,20+/m1/s1	C20H36O5	356.497	5	4	90.15	3	4	0	-1.525	1.8548	3.11	1.94	91.074	94.9982000000001	2.8943	361.357908618541
Cond-000677	NP41	NP41	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.9559213513	C/C/1=C\[C@@H](O)C2[C@H](CC(=C)[C@H](O)CC1)OC(=O)C2=C	InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14?/m1/s1	C15H20O4	264.317	4	2	66.76	2	0	0	0.3058	1.50486	2.67	0.293	69.5146	73.7046	2.0677	267.898382686245
Cond-000678	NP410	NP410	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0170655472	Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(=O)O)c(C)c2)c(C)c1	InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30)	C24H20O10	468.41	10	5	170.82	3	7	0	-0.337200000000001	2.75276	3	4.771	46.5674	117.069	3.2354	410.155476215213
Cond-000679	NP411	NP411	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	70.0691291552	COc1ccc(C(=O)/C=C/c2c(OC)cc(OC)cc2)c(O)c1	InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+	C18H18O5	314.333	5	1	64.99	2	6	0	-0.518399999999999	3.09978	2.89	3.147	40.1015	89.5288000000001	2.3771	296.230728461207
Cond-000680	NP412	NP412	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	82.473158787	CC1/C=C(\C)/C(C/C=C(\C)/CCCC1(C)C)OC(=O)c1ccccc1O	InChI=1S/C23H32O3/c1-16-9-8-14-23(4,5)18(3)15-17(2)21(13-12-16)26-22(25)19-10-6-7-11-20(19)24/h6-7,10-12,15,18,21,24H,8-9,13-14H2,1-5H3/b16-12+,17-15+	C23H32O3	356.498	3	1	46.53	2	3	1	2.3666	5.86727000000001	3.66	8.023	80.7096	108.7188	3.0502	381.303115591019
Cond-000681	NP413	NP413	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	83.1837540001	[C@@H]12CC(C)CN[C@H]1[C@@H](C)[C@@]1(CC[C@@H]3C(=C1C)C(=O)[C@H]1C3CC=C3CC(CCC13C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2	InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17-,19?,20+,21?,22-,23-,25-,26+,27-,29+,30-,31-,32?,33+/m1/s1	C33H49NO8	587.744	9	5	137.71	7	3	0	-1.7593	2.09137000000001	4.1	0.772	150.9846	155.7519	4.43850000000001	566.237938159057
Cond-000682	NP414	NP414	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	11.4962849703	COc1c(C)c(O)c(C(=O)Oc2c(C)c(O)c(C(=O)O)c(C)c2)c(C)c1	InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)	C19H20O7	360.358	7	3	113.29	2	5	0	1.2647	3.00958	2.78	3.835	47.9644	97.9013	2.6354	331.107166488196
Cond-000683	NP415	NP415	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	15.1199441784	C[C@]12C[C@@]3(CC1=O)CCC1[C@@](C)(CCC[C@@]1(C)C(=O)O)C3CC2	InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13?,14?,17-,18+,19+,20-/m0/s1	C20H30O3	318.45	3	1	54.37	4	1	0	0.645199999999995	4.67699000000001	3.33	4.534	87.54	91.1728000000001	2.5823	326.148079115018
Cond-000684	NP416	NP416	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.6609802459	[NH4+].[C@@H]1(CCC2(C)[C@@H](CCC3(C)[C@@H]2C(=O)C=C2C4C[C@](C)(CCC4(C)CC[C@@]32C)C(=O)[O-])C1(C)C)O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(=O)O)C(=O)O	InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19?,21-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,34+,35+,38?,39-,40?,41+,42?;/m0./s1	C42H65NO16	839.963	16	7	269.87	7	7	2	-2.2841	1.07098000000001	4.32	3.933	196.5639	199.7826	5.96890000000001	774.635706436175
Cond-000685	NP417	NP417	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	81.0091502019	COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c24)C3=CC1=O	InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3	C19H21NO4	327.374	5	1	59	4	2	0	-0.616300000000001	2.02447	3	1.283	69.8544	91.9608	2.4279	307.193246594679
Cond-000686	NP418	NP418	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	33.7295521435	COc1ccc(/C=C/2\Oc3cc(O)ccc3C2=O)cc1	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)8-15-16(18)13-7-4-11(17)9-14(13)20-15/h2-9,17H,1H3/b15-8-	C16H12O4	268.264	4	1	55.76	3	2	0	-0.909	3.30347	2.78	3.382	26.4918	78.0568	1.928	240.492073808112
Cond-000687	NP419	NP419	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.51230864	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C)/C	InChI=1S/C35H43NO11/c1-15-10-9-11-16(2)34(44)36-21-14-22(37)24-25(31(21)42)30(41)20(6)32-26(24)33(43)35(7,47-32)46-13-12-23(45-8)17(3)28(39)19(5)29(40)18(4)27(15)38/h9-15,17-19,23,27-29,38-41H,1-8H3,(H,36,44)/b10-9-,13-12-,16-11-/t15-,17+,18+,19+,23-,27-,28+,29-,35-/m0/s1	C35H43NO11	653.716	12	5	188.92	3	1	0	-1.339	3.00777000000001	3.99	1.208	149.7768	172.8609	4.87820000000001	632.278294008473
Cond-000688	NP42	NP42	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	11.4580595838	CC(C)C1=CCC2C(=C1)CCC1[C@]2(C)CCC[C@@]1(C)C(=O)O	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16?,17?,19-,20-/m1/s1	C20H30O2	302.451	2	1	37.3	3	2	1	1.3773	5.29247000000001	3.44	6.113	90.3137	92.2388000000001	2.5892	327.077852414457
Cond-000689	NP420	NP420	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	98.5238757957	COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)C1[C@]3(C1C[C@]3(O)[C@H](OC(=O)c5ccccc5)C1[C@]4(OC(=O)C)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC	InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18?,19-,20+,21?,22+,23+,24?,25-,26+,27-,28+,30+,31+,32+,33-/m1/s1	C33H45NO11	631.711	12	3	153.45	7	10	1	-4.2869	0.226390000000003	3.77	1.097	127.3514	158.8724	4.52860000000001	576.43570085914
Cond-000690	NP422	NP422	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.5692220757	CCN1C[C@@]2(CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14)OC(=O)c1ccccc1NC(=O)C	InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26?,27+,29-,30+,31+,32+/m1/s1	C32H44N2O8	584.7	10	3	126.79	7	9	0	-3.1734	2.18999	3.88	2.86	121.2534	154.7173	4.3114	543.765796339757
Cond-000691	NP423	NP423	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	83.6753709057	C[C@@]12CCC[C@](C)(C1CC[C@@]13C[C@H](C(CC21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=C)C3)C(=O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C38H60O18/c1-15-10-38-8-5-21-36(2,6-4-7-37(21,3)35(50)56-33-30(49)27(46)24(43)19(13-40)53-33)22(38)9-17(16(15)11-38)51-34-31(28(47)25(44)20(14-41)54-34)55-32-29(48)26(45)23(42)18(12-39)52-32/h16-34,39-49H,1,4-14H2,2-3H3/t16-,17?,18+,19-,20+,21?,22?,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,36+,37+,38+/m0/s1	C38H60O18	804.872	18	11	294.98	7	10	2	-4.8423	-2.92212	3.66	0.381999999999999	184.3616	189.2988	5.67320000000002	732.25982678663
Cond-000692	NP424	NP424	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.7548538705	[O-]S(=O)(=O)[O-].[C@@H]12[NH+]3CCC41C(N(C=O)c1c4cc(c(OC)c1)[C@]1(CC4C[NH+](C[C@](O)(CC)C4)CCc4c1[nH]c1c4cccc1)C(=O)OC)[C@](O)(C(OC(=O)C)[C@]2(CC)C=CC3)C(=O)OC	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28?,37-,38?,39?,42-,43+,44?,45-,46-;/m0./s1	C46H58N4O14S	923.036	14	5	173.57	9	11	2	-5.6888	1.61656000000001	4.98	3.246	157.2598	225.079999999999	6.12580000000002	763.151885312943
Cond-000693	NP425	NP425	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.5938650307	OCC1OC(OC2C(O)COC(OC3COC(O)C(OC4OCC(O)C(O)C4O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C27H46O23/c28-1-8-12(33)15(36)18(39)25(45-8)48-20-7(31)4-44-27(22(20)50-26-19(40)16(37)13(34)9(2-29)46-26)47-10-5-42-23(41)21(14(10)35)49-24-17(38)11(32)6(30)3-43-24/h6-41H,1-5H2	C27H46O23	738.64	23	14	366.29	5	10	2	-7.9689	-10.0073	1.9	-7.545	147.6891	148.4992	4.72000000000001	615.940964208105
Cond-000694	NP426	NP426	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	102.530172709	CC1OC(OC2C/C=C/C=C/C=C\C=C\CC/C=C/C=C/C(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC3(O)CC(O)C(C2O3)C(=O)O)C(O)C(N)C1O	InChI=1S/C47H75NO17/c1-27-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-37(64-46-43(58)40(48)42(57)30(4)63-46)44-39(45(59)60)36(54)26-47(61,65-44)25-35(53)34(52)21-20-31(49)22-32(50)23-33(51)24-38(55)62-29(3)28(2)41(27)56/h5-7,9,11-18,27-37,39-44,46,49-54,56-58,61H,8,10,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7-,13-11+,14-12+,17-15+,18-16+	C47H75NO17	926.095	18	13	319.61	3	3	2	-4.59439999999999	0.726730000000013	4.65	2.385	231.0605	238.708199999999	7.15880000000003	923.737304525436
Cond-000695	NP427	NP427	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	69.5844662063	[C@H]12COC(c3ccc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H]1COC2c1ccc(O)c(OC)c1	InChI=1S/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16-,17-,22+,23-,24+,25+,26-,27+,28+,29?,30?,31+,32+/m0/s1	C32H42O15	666.667	15	7	215.45	6	9	2	-5.016	-0.796509999999994	3.33	-0.258	108.2733	158.4988	4.58830000000001	582.123862827351
Cond-000696	NP428	NP428	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	9.9359578075	C[C@H]1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2OC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]21CCC(C)CO2	InChI=1S/C46H74O17/c1-20-8-13-46(57-18-20)21(2)32-28(63-46)15-27-25-7-6-23-14-24(9-11-44(23,4)26(25)10-12-45(27,32)5)59-43-41(56-19-31-35(51)38(54)34(50)29(16-47)60-31)40(36(52)30(17-48)61-43)62-42-39(55)37(53)33(49)22(3)58-42/h6,20-22,24-43,47-55H,7-19H2,1-5H3/t20?,21-,22-,24?,25?,26?,27?,28?,29+,30+,31-,32?,33-,34+,35-,36+,37+,38-,39+,40-,41+,42-,43+,44-,45-,46+/m0/s1	C46H74O17	899.07	17	9	255.91	9	9	2	-4.6346	0.182790000000009	4.65	2.425	214.9818	218.786199999999	6.56750000000003	839.761018392203
Cond-000697	NP429	NP429	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.87105017	[C@@H]12[C@H](O)CC[N+]1(C)CC=C2COC(=O)C(O)(C(C)C)C(C)O	InChI=1S/C16H28NO5/c1-10(2)16(21,11(3)18)15(20)22-9-12-5-7-17(4)8-6-13(19)14(12)17/h5,10-11,13-14,18-19,21H,6-9H2,1-4H3/q+1/t11?,13-,14-,16?,17?/m1/s1	C16H28NO5+	314.397	6	3	86.99	2	6	0	-2.6065	-0.0226200000000003	2.56	-1.023	78.4921	83.8138000000001	2.4746	311.57250097284
Cond-000698	NP43	NP43	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	83.132416651	[C@H]12Cc3cc(Oc4ccc(CC5=NCCc6c5cc(Oc5c(OC)c(OC)c(OC)c(CCN1C)c25)c(OC)c6)cc4)c(OC)cc3	InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1	C38H40N2O7	636.733	9	0	80.21	6	5	1	-0.2003	8.10087	4.65	5.257	85.9687	186.752999999999	4.75410000000001	584.959807787995
Cond-000699	NP430	NP430	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.3192489334	[C@H]12Cc3cc(Oc4ccc(C[C@@H]5N(C)CCc6cc7c(OCO7)c(Oc7c(OC)cc(CCN1C)c2c7)c56)cc4)c(OC)cc3	InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1	C37H38N2O6	606.707	8	0	61.86	7	2	1	0.0749000000000002	7.74878	4.65	6.025	77.3859	175.593999999999	4.4889	549.153596461568
Cond-000700	NP432	NP432	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.4713072351	CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(=O)N)CC[C@@H](OC)C34C5C[C@H]6[C@H](OC)C5[C@](O)(CC6OC)C(O)([C@@H](OC)C23)[C@H]14	InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22?,24?,25-,27?,28+,29?,30+,33-,34?,35-,36?,37?/m1/s1	C37H53N3O10	699.831	13	5	179.11	7	14	2	-4.0162	1.55409000000001	4.1	1.457	148.6722	182.7677	5.19010000000001	656.186474377577
Cond-000701	NP433	NP433	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.4672097857	[C@H]1(C)CCC(=C(C)C)[C@H](CCC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)[C@@]1(C)COc1ccc2ccc(=O)oc2c1	InChI=1S/C36H50O15/c1-18(2)22-9-5-19(3)35(4,17-47-21-8-6-20-7-11-28(40)48-24(20)13-21)23(22)10-12-27(39)46-15-26-29(41)31(43)32(44)34(49-26)51-36(16-38)33(45)30(42)25(14-37)50-36/h6-8,11,13,19,23,25-26,29-34,37-38,41-45H,5,9-10,12,14-17H2,1-4H3/t19-,23-,25?,26?,29?,30?,31?,32?,33?,34?,35-,36?/m0/s1	C36H50O15	722.773	15	7	231.13	5	13	3	-1.5701	0.813660000000008	3.77	2.458	153.0061	180.6956	5.21750000000001	671.927801330815
Cond-000702	NP434	NP434	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.6445658316	CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)C14	InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22-,23?,24+,25?,26+,28?,29+,30-,31+,32-/m1/s1	C32H46N2O8	586.716	10	4	132.94	7	9	0	-3.8261	1.68629	3.88	2.246	124.108	155.575	4.3544	546.402255040557
Cond-000703	NP436	NP436	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0736196319	CC1OC(O)C(O)C(O)C1OC1OCC(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C29H50O24/c1-6-22(14(36)17(39)25(44)46-6)51-26-18(40)12(34)10(5-45-26)50-27-20(42)15(37)23(8(3-31)48-27)53-29-21(43)16(38)24(9(4-32)49-29)52-28-19(41)13(35)11(33)7(2-30)47-28/h6-44H,2-5H2,1H3	C29H50O24	782.693	24	15	386.52	5	11	3	-8.4903	-10.2579	2.01	-7.757	158.236	159.101	5.06050000000001	659.323160160399
Cond-000704	NP438	NP438	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.7821034143	[C@@H]12C[C@@H](O)C(O)C[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@@H](CC1C(C)OC(=O)C1C)OC(=O)C	InChI=1S/C31H46O9/c1-15-18(16(2)39-27(15)36)11-26(40-17(3)32)30(6,37)25-8-10-31(38)20-12-22(33)21-13-23(34)24(35)14-28(21,4)19(20)7-9-29(25,31)5/h12,15-16,18-19,21,23-26,34-35,37-38H,7-11,13-14H2,1-6H3/t15?,16?,18?,19?,21-,23+,24?,25?,26+,28+,29+,30+,31+/m0/s1	C31H46O9	562.692	9	4	150.59	5	6	0	-0.766400000000001	2.62148000000001	3.88	1.899	143.8305	146.4152	4.2898	551.515894100519
Cond-000705	NP439	NP439	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.5605165294	[C@@H]12O[C@@]1(C)/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]1O[C@H](C)C[C@@H](C1O)N(C)C)[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@H]2C	InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27?,28-,29+,30+,31+/m1/s1	C31H51NO9	581.738	10	2	135.13	3	6	0	-1.5032	2.83048000000001	3.77	1.74	148.2632	154.7796	4.60680000000001	587.225571710285
Cond-000706	NP44	NP44	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	81.1828969674	[C@H]12C(=O)C=C(C)[C@H](COc3cc4c(ccc(=O)o4)cc3)[C@@]1(C)CC[C@@H](OC(=O)C)C2(C)C	InChI=1S/C26H30O6/c1-15-12-20(28)24-25(3,4)22(31-16(2)27)10-11-26(24,5)19(15)14-30-18-8-6-17-7-9-23(29)32-21(17)13-18/h6-9,12-13,19,22,24H,10-11,14H2,1-5H3/t19-,22+,24+,26+/m0/s1	C26H30O6	438.513	6	0	78.9	4	5	0	1.3214	4.99516000000001	3.66	4.342	94.5708	122.998	3.3458	429.575914767103
Cond-000707	NP440	NP440	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.1776425014	CC1OC(O)C(O)C(O)C1OC1CCC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C24H42O18/c1-6-20(15(31)17(33)22(36)37-6)38-7-2-3-8(12(28)11(7)27)39-23-19(35)16(32)21(10(5-26)41-23)42-24-18(34)14(30)13(29)9(4-25)40-24/h6-36H,2-5H2,1H3	C24H42O18	618.579	18	12	298.14	4	8	2	-7.3595	-7.27599999999999	2.12	-5.022	125.535	129.7496	4.11240000000001	532.458335528502
Cond-000708	NP441	NP441	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.9921288586	CCN1C[C@]2(COC)CCC(OC)[C@@]34C5C[C@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)C5[C@@](CC6OC)(OC(=O)C)C(C(OC)C23)[C@@H]14	InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,32+,33-,34-,35+/m1/s1	C35H49NO10	643.764	11	1	122.22	7	12	2	-1.9879	-2.9212	4.1	1.503	165.4166	112.1093	7.9661	602.237443410313
Cond-000709	NP442	NP442	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.3129225697	[C@@H]12CC(O)CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)c1c(O)cccn1)OC(=O)[C@H](N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C(C)C(C)C)N(C)C(=O)C(C)(C)N(C)C2=O)c1ccccc1	InChI=1S/C44H62N8O11/c1-23(2)20-29-40(59)52-22-28(53)21-30(52)41(60)51(11)44(7,8)43(62)50(10)33(25(5)24(3)4)36(56)46-26(6)39(58)49(9)34(27-16-13-12-14-17-27)42(61)63-38(37(57)47-29)48-35(55)32-31(54)18-15-19-45-32/h12-19,23-26,28-30,33-34,38,53-54H,20-22H2,1-11H3,(H,46,56)(H,47,57)(H,48,55)/t25?,26-,28?,29+,30+,33-,34-,38-/m1/s1	C44H62N8O11	879.01	19	5	248.19	4	8	1	-3.9429	0.845890000000008	4.21	4.872	172.6224	230.190199999999	6.71590000000002	846.110100996037
Cond-000710	NP443	NP443	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	74.4396308156	COc1cc2c3C(Cc4ccc(Oc5cc(CC6N(C)CCc7cc(OC)c(Oc3c1OC)cc67)ccc5O)cc4)N(C)CC2	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3	C37H40N2O6	608.723	8	1	72.86	6	3	1	-0.1345	7.60408	4.65	5.579	79.7942	178.045999999999	4.59750000000001	561.510055162368
Cond-000711	NP444	NP444	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	100.239556478	CCC1NC(=O)C(C(O)C(C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+	C62H111N11O12	1202.61	23	5	278.8	1	15	3	-3.12140000000002	3.42908000000001	5.75	8.407	318.9594	331.4176	10.022	1263.36062509071
Cond-000712	NP445	NP445	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	99.8773006135	[Na+].[C@@H]1(C[C@H](C)[C@@H](O1)[C@]1(CC)CC[C@@H](O1)C1(C)CCC2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@H](OC)[C@@H](C)C(=O)[O-])O1)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C	InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,33?,34-,35?,36-;/m0./s1	C36H61NaO11	692.853	11	3	156.2	5	10	1	-2.86200000000001	3.17209000000001	4.21	2.887	159.2803	172.9154	5.21920000000001	662.167417382972
Cond-000713	NP446	NP446	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	81.9647848627	[C@@H]12C[C@H]3C(CC(=O)[C@H]4CC(CC[C@]34C)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CC[C@@H]1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O	InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17?,18+,19+,20?,21?,22+,23-,24+,26+,27-,28+,29-,30+,31?,32+,33-/m0/s1	C33H53NO8	591.776	9	5	139.92	7	3	0	-3.539	1.94439000000001	4.1	2.903	145.819	156.129	4.52450000000001	571.510855560657
Cond-000714	NP447	NP447	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.3251083066	[C@H]1(Cc2c(O1)ccc1c2OC2COc3c(cc(OC)c(OC)c3)C2C1=O)C(=C)CO[C@@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23?,24-,25?,27-,28+,29-,30+,31+,33-,34+/m0/s1	C34H40O16	704.672	16	6	221.52	7	9	2	-3.9211	-0.140639999999993	3.44	-1.363	119.8979	173.4498	4.73420000000001	607.876682677245
Cond-000715	NP448	NP448	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.1042944785	CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C39H66O32/c1-8-15(45)21(51)26(56)37(63-8)70-31-30(69-35-24(54)17(47)10(43)5-60-35)28(13(3-41)64-33(31)58)67-39-32(71-36-25(55)18(48)11(44)6-61-36)29(68-38-27(57)22(52)19(49)12(2-40)65-38)20(50)14(66-39)7-62-34-23(53)16(46)9(42)4-59-34/h8-58H,2-7H2,1H3	C39H66O32	1046.92	32	19	504.36	7	15	3	-10.9627	-13.3313	2.23	-9.916	211.1376	212.3542	6.72190000000003	877.891902621953
Cond-000716	NP45	NP45	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	35.9031942089	CC1(C)CCC[C@]2(C)C(CC(=O)O)[C@](C)(O)CCC12	InChI=1S/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11?,12?,15-,16+/m0/s1	C16H28O3	268.392	3	2	57.53	2	2	0	0.8585	3.68859	2.89	4.694	73.0145	78.0726000000001	2.2789	284.313516713951
Cond-000717	NP450	NP450	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	68.5094488377	C[C@]12CCC[C@@](C)(C1CCC13CC(=C)C(C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O	InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18?,19?,20-,21-,22+,23+,24-,25-,26+,27+,29+,30+,31?,32?/m1/s1	C32H50O13	642.732	13	8	215.83	6	7	2	-2.6107	-0.0365199999999966	3.55	1.349	152.4845	157.1454	4.64290000000001	596.889244229428
Cond-000718	NP451	NP451	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.6098159509	[C@@H]12C[C@]34O[C@]5(O)C(CCC3(C)C5CCC4[C@]1(O)[C@@H](O)C(O)[C@H]1C2CN2CC(C)CC[C@H]2[C@@]1(C)O)OC(=O)c1cc(OC)c(OC)cc1	InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18?,20?,21-,24?,25?,26-,27?,28+,29?,30-,32?,33+,34+,35-,36-/m0/s1	C36H51NO10	657.791	11	5	158.38	8	5	0	-4.02	2.06539000000001	4.21	2.752	135.8028	170.525	4.82700000000001	609.813428036178
Cond-000719	NP452	NP452	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.9926380368	COc1ccc(cc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)c1cc(OC)c(OC)cc1	InChI=1S/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25?,26?	C33H40N2O9	608.679	11	0	113.07	6	12	1	-3.6235	4.81399000000001	3.88	4.392	95.4694	161.6825	4.4476	560.762631563785
Cond-000720	NP453	NP453	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	75.5355798408	[C@@H]12CC(C)(C)CC[C@@]31CC[C@]1(C)C2=CCC2[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)C5O[C@@H]5OC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O[C@H]6C(C)O[C@@H](OC7[C@H](O)[C@@H](O)CO[C@H]7OC3=O)C(O)[C@H]6O[C@@H]3OC[C@@H](O)[C@@H](O)C3O)[C@@H](O)C5O)[C@@](C)(CO)C4CC[C@@]12C	InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26?,28-,29-,30+,31-,32?,33-,34?,35?,38+,39+,40+,41+,42+,43?,44?,45?,46-,47+,48?,49?,50-,51-,52-,53-,54-,55-,58+,59-,60-,61+,62+,63-/m0/s1	C63H98O29	1319.43	29	14	445.19	10	4	2	-5.5412	-2.51631999999999	5.2	0.902999999999999	308.83	309.385199999999	9.32100000000004	1206.65318393468
Cond-000721	NP454	NP454	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	78.2664787252	[C@@H]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@H]4C3)(O[C@@]21O)C(C)C	InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1	C35H41N5O5	611.731	10	3	118.21	8	6	0	-2.5157	2.87438000000001	4.21	4.828	104.3208	171.2465	4.53380000000001	554.934598535374
Cond-000722	NP455	NP455	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	37.6997873713	C1(C)OC(OC2CCCCCCCCCCCCCCC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(O)C2)C(=O)O)C(O)C(N)C1O	InChI=1S/C47H87NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h27-33,35-39,41-45,47,49-51,53-56,58-60H,5-26,48H2,1-4H3,(H,61,62)	C47H87NO17	938.19	18	13	327.45	2	3	2	-11.4285	2.35619000000001	4.65	4.566	205.7092	242.083199999999	7.48240000000003	949.276056730235
Cond-000723	NP456	NP456	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.4027971071	[O-]S(=O)(=O)[O-].[C@@H]12N(C)c3c(cc(c(OC)c3)[C@]3(C[C@@H]4C[N@@H+](C[C@](O)(CC)C4)CCc4c3[nH]c3c4cccc3)C(=O)OC)[C@]31CC[NH+]1CC=C[C@@](CC)([C@@H](OC(=O)C)[C@]2(O)C(=O)OC)[C@@H]31	InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H60N4O13S	909.053	13	5	156.5	9	10	0	-4.8696	2.08996000000001	5.09	3.693	157.0606	224.939999999999	6.11010000000002	756.998117313181
Cond-000724	NP457	NP457	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.1987680758	OCC1OC(OCC2OC(OC3C(COC4OCC(O)C(O)C4O)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C41H70O35/c42-1-9-16(48)20(52)27(59)37(68-9)66-6-13-19(51)33(75-38-28(60)21(53)17(49)10(2-43)69-38)34(76-39-29(61)22(54)18(50)11(3-44)70-39)41(71-13)74-32-14(7-65-36-26(58)15(47)8(46)5-64-36)72-40(30(62)24(32)56)73-31-12(4-45)67-35(63)25(57)23(31)55/h8-63H,1-7H2	C41H70O35	1122.97	35	22	565.05	7	18	3	-12.4841	-15.6371	2.12	-11.105	224.4407	225.7796	7.17980000000003	938.854551975369
Cond-000725	NP458	NP458	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.2380368098	COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6c(cc5OC)C(Cc5ccc(Oc1c2)cc5)N(C)CC6)c34	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3	C38H42N2O6	622.75	8	0	61.86	6	4	1	0.273999999999999	7.53649	4.76	6.098	84.5454	180.513999999999	4.7384	578.806039788234
Cond-000726	NP459	NP459	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.4539877301	CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1O[C@H](C)[C@@](O)(CO)[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]1NC(=N)N	InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(18(37-5)40-17-9(26-2)13(34)10(31)6(3-29)38-17)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12-,13+,14-,15-,16+,17+,18+,21+/m1/s1	C21H41N7O12	583.59	19	17	334.59	3	11	3	-6.1067	-7.95093999999999	1.68	-3.775	123.1452	133.9067	4.05870000000001	511.889884203903
Cond-000727	NP46	NP46	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.3950920245	N1CCCC2CC3C[C@](CN4CCCC[C@@H]34)(C3CCCCN3)[C@H]12	InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15?,16?,17-,18?,19+,20-/m0/s1	C20H35N3	317.512	3	2	27.3	5	1	0	-3.2912	2.7612	3.33	2.6	81.2196	94.5254000000001	2.683	325.684138338635
Cond-000728	NP460	NP460	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	98.0128219753	C(=O)c1c(O)c2c3c(O)c(C)c4c2C(=O)[C@@](C)(O4)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(\C)/C(=O)Nc1c3O	InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38+/m0/s1	C38H47NO13	725.779	14	6	218.38	3	4	1	-1.4596	5.32986000000001	4.1	2.488	150.0882	197.4826	5.37530000000001	688.210242586393
Cond-000729	NP461	NP461	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.8809815951	CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1O	InChI=1S/C40H68O33/c1-8-15(45)21(51)26(56)37(64-8)72-32-31(65-13-6-61-34(59)24(54)19(13)49)29(14(66-35(32)60)7-63-36-25(55)16(46)9(44)5-62-36)70-40-33(73-39-28(58)23(53)18(48)11(3-42)68-39)30(20(50)12(4-43)69-40)71-38-27(57)22(52)17(47)10(2-41)67-38/h8-60H,2-7H2,1H3	C40H68O33	1076.95	33	20	524.59	7	16	3	-11.4734	-13.9704	2.23	-9.73000000000001	217.1001	218.361	6.92150000000003	903.978113948381
Cond-000730	NP462	NP462	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	76.0302936187	CC1OC(OC2CCCCCCCCCCCCCCC(C)C(O)C(C)C(C)OC(O)CC(O)CC(O)CCC(O)C(O)CC(O)CC(O)CC(O)C(C(O)C2)C(=O)O)C(O)C(N)C1O	InChI=1S/C47H91NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-33(51)22-32(50)23-37(54)36(53)20-19-31(49)21-34(52)25-40(57)63-29(3)28(2)43(27)58/h27-45,47,49-60H,5-26,48H2,1-4H3,(H,61,62)	C47H91NO17	942.222	18	15	333.77	2	3	2	-13.0349	1.93979000000001	4.65	4.747	202.4824	244.082799999999	7.56840000000004	954.548974131835
Cond-000731	NP463	NP463	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	103.352147239	[C@H]12Cc3ccc(Oc4c(OC)ccc(C[C@@H]5N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)c4)cc3	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1	C38H42N2O6	622.75	8	0	61.86	6	4	1	0.273999999999999	7.53649	4.76	6.098	84.5454	180.513999999999	4.7384	578.806039788234
Cond-000732	NP464	NP464	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.882208589	OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O	InChI=1S/C23H40O20/c24-1-6-10(29)12(31)15(34)22(39-6)42-18-16(35)17(8(3-26)38-20(18)36)41-23-19(13(32)11(30)7(2-25)40-23)43-21-14(33)9(28)5(27)4-37-21/h5-36H,1-4H2	C23H40O20	636.552	20	13	327.6	4	9	2	-7.2434	-9.1097	1.79	-6.923	127.2008	127.8794	4.08890000000001	532.742804303757
Cond-000733	NP465	NP465	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.3139786909	COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	C17H21NO3	287.354	4	1	41.93	4	1	0	-0.562700000000001	1.43699	2.89	1.062	56.6169	78.7768000000001	2.1734	269.083968043984
Cond-000734	NP466	NP466	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.8197622687	CCC1NC(=O)C([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41?,42-,43?,44?,45?,46?,47?,49?,50?,51?,52-/m1/s1	C62H111N11O12	1202.61	23	5	278.8	1	15	3	-3.12140000000002	3.42908000000001	5.75	8.407	318.9594	331.4176	10.022	1263.36062509071
Cond-000735	NP467	NP467	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	99.1809449933	[C@H]12CCCN3(=O)CCC[C@H]([C@H]4CCCC(=O)N4C1)[C@H]23	InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1	C15H24N2O2	264.363	4	0	43.37	4	0	0	-2.3109	2.11819	2.67	0.7	61.0237	75.1924000000001	2.0617	255.507908402256
Cond-000736	NP468	NP468	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	77.4829268293	OCC1OC(Oc2cc(/C=C/c3ccc(O)cc3)cc(O)c2)C(O)C(O)C1O	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+	C20H22O8	390.384	8	6	139.84	3	5	1	-2.66	0.525880000000003	2.78	2.328	50.4257	100.102	2.7694	347.473377814624
Cond-000737	NP469	NP469	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.9365853659	[C@@H]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@@]12C)C(=O)O	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23+,27-,28+,29+,30-/m0/s1	C30H48O3	456.7	3	2	57.53	5	1	1	2.1298	7.39368000000001	4.43	9.052	134.0329	135.6546	3.8827	486.751466672887
Cond-000738	NP47	NP47	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.2481066488	COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2	InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3	C31H50O3	470.727	3	1	46.53	5	2	1	1.7348	7.33798000000001	4.54	9.275	137.0243	139.9648	4.0236	504.047451298753
Cond-000739	NP470	NP470	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.4705345532	C[C@H]1OC(OC2[C@@H](CO)OC(OC3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21?,22?,23?,24?,25?/m1/s1	C25H43NO18	645.605	19	14	321.17	4	9	2	-7.2263	-8.63831	2.12	-5.53	137.768	137.4651	4.31010000000001	558.114621661735
Cond-000740	NP471	NP471	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	60.3804878049	COc1cc2c(cc1OC)c1[n+](CC2)cc2c(ccc(OC)c2OC)c1	InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1	C21H22NO4+	352.404	5	0	40.8	4	4	0	-1.3839	3.93399	3.22	2.969	38.4272	102.436	2.6452	316.030527795213
Cond-000741	NP472	NP472	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.9951219512	[C@H](C)(CC)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)C=C[C@@H]1C	InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+/m0/s1	C49H75NO13	886.119	14	3	161.86	7	9	1	-0.844600000000003	5.46934000000001	5.31	2.601	227.6988	236.039299999999	6.85740000000003	879.015449573325
Cond-000742	NP473	NP473	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.9073170732	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	C38H69NO13	747.953	14	4	182.91	3	8	1	-2.0536	2.67359000000001	4.1	1.66	186.232	194.2912	5.91390000000002	748.731288295192
Cond-000743	NP474	NP474	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	50.2282208589	Cc1coc2c1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C	InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	C19H18O3	294.344	3	0	47.28	4	0	0	0.711299999999999	3.98431	3.22	4.929	44.0803	86.3145	2.2264	273.869800985151
Cond-000744	NP475	NP475	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.4561383496	[C@H]12C[C@@]3(OC(=O)CC3=C[C@@H]1NCCc1c[nH]c3c1cccc3)[C@H]1CCCCN21	InChI=1S/C23H27N3O2/c27-22-12-16-11-19(20-13-23(16,28-22)21-7-3-4-10-26(20)21)24-9-8-15-14-25-18-6-2-1-5-17(15)18/h1-2,5-6,11,14,19-21,24-25H,3-4,7-10,12-13H2/t19-,20-,21+,23-/m0/s1	C23H27N3O2	377.479	5	2	57.36	6	4	0	-1.3774	3.00447	3.44	2.496	68.9969	112.5127	2.8565	345.177334711758
Cond-000745	NP476	NP476	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.5920010951	[C@H](O)(c1c2ccccc2ncc1)C1CC2CCN1C[C@@H]2C=C	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18?,19-/m0/s1	C19H22N2O	294.391	3	1	36.36	2	3	0	-0.4618	3.20959	3.22	3.317	44.799	88.7338000000001	2.3516	280.919326701162
Cond-000746	NP477	NP477	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	62.6048780488	[Ca+2].Nc1nc2c(N(C=O)C(CNc3ccc(cc3)C(=O)NC(CCCC(=O)[O-])C(=O)[O-])CN2)c(=O)[nH]1	InChI=1S/C21H25N7O7.Ca/c22-21-26-17-16(19(33)27-21)28(10-29)13(9-24-17)8-23-12-6-4-11(5-7-12)18(32)25-14(20(34)35)2-1-3-15(30)31;/h4-7,10,13-14,23H,1-3,8-9H2,(H,25,32)(H,30,31)(H,34,35)(H4,22,24,26,27,33);/q;+2/p-2	C21H23CaN7O7	525.528	14	6	221.21	3	12	2	-5.3027	-5.40183	2.23	-4.268	83.0642	119.7517	3.3782	433.310622393897
Cond-000747	NP478	NP478	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.0585365854	Oc1ccc(CC=C)cc1c1c(O)ccc(CC=C)c1	InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	C18H18O2	266.334	2	2	40.46	2	5	1	1.1368	4.49317	3.22	5.446	34.9328	85.7728	2.201	269.860048359523
Cond-000748	NP479	NP479	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	77.7349364605	[C@H]12CCCCN1C[C@@H]1C[C@@H]2C=C2CCCN(C(=O)C)[C@@H]12	InChI=1S/C17H26N2O/c1-12(20)19-8-4-5-13-9-14-10-15(17(13)19)11-18-7-3-2-6-16(14)18/h9,14-17H,2-8,10-11H2,1H3/t14-,15-,16+,17+/m0/s1	C17H26N2O	274.401	3	0	23.55	4	1	0	-2.0449	2.58798	3	1.336	72.7776	82.2740000000001	2.2418	278.673192252629
Cond-000749	NP48	NP48	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.0146243526	C/C=C(\C)/C(=O)O[C@H]1C2[C@H](CC3(C)C(O)CCC(C)(O)C13)OC(=O)C2=C	InChI=1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6+/t12-,13?,14?,15-,16?,19?,20?/m0/s1	C20H28O6	364.433	6	2	93.06	3	3	0	0.727999999999999	1.98037	3	1.892	91.9291	96.6026000000001	2.781	359.602300515902
Cond-000750	NP480	NP480	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.7702767448	[C@H](CO)(C(=O)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)N2C)c1ccccc1	InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1	C17H23NO4	305.369	5	2	70	3	5	0	-2.0949	1.13559	2.78	2.508	50.6758	84.5886	2.3407	290.230653445345
Cond-000751	NP481	NP481	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	14.8390243902	[C@H]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(=O)O	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22+,23?,26-,27+,28+,29-,30-/m1/s1	C30H46O4	470.684	4	2	74.6	5	1	1	1.6831	6.57268000000001	4.32	6.745	134.2803	136.0446	3.8984	492.905234672648
Cond-000752	NP482	NP482	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	11.5352148023	C[C@]12CCC[C@@](C)(C1CCC(=C)[C@@H]2CCc1cocc1)C(=O)O	InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20-/m0/s1	C20H28O3	316.435	3	1	50.44	3	4	1	0.873400000000002	5.23578000000001	3.33	5.339	72.8469	93.0568000000001	2.6049	322.331620414218
Cond-000753	NP483	NP483	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	101.462435263	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	C10H16N5O13P3	507.181	18	8	308.56	3	8	2	-2.7745	-4.04501	0.25	-5.925	65.9879	78.3452	2.8957	340.839602425996
Cond-000754	NP484	NP484	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.6607652118	[C@H]12COC(=O)[C@@H]1[C@H](c1cc(OC)c(O)c(OC)c1)c1c(C2)cc2OCOc2c1	InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1	C21H20O7	384.379	7	1	83.45	5	3	0	-1.0772	3.33328	3	1.77	50.5755	101.6388	2.6344	331.26621833833
Cond-000755	NP485	NP485	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	63.3159179576	[C@H]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CCC1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19?,20-,21-,23-/m0/s1	C25H38O5	418.566	5	1	72.83	3	7	0	1.0638	4.67187000000001	3.66	4.775	111.4563	118.1578	3.4268	437.291996944675
Cond-000756	NP486	NP486	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	10.0841869909	[C@H]12OC3[C@H](O)[C@@H](OC(=O)C)[C@@](C)([C@]43CO4)[C@@]1(COC(=O)C)C[C@H](OC(=O)CC(C)C)C(=C2)C	InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21?,22+,23+,24+/m0/s1	C24H34O9	466.521	9	1	120.89	4	9	0	-0.0489999999999977	1.85278	3.11	1.692	113.2697	116.7598	3.4121	442.800460420253
Cond-000757	NP487	NP487	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	99.2265747987	Cc1cc(=O)oc2c1ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2	InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1	C16H18O8	338.309	8	4	125.68	3	3	0	-1.4908	-0.26043	2.34	0.486	55.7951	84.3652	2.2918	294.462356712757
Cond-000758	NP488	NP488	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	93.6521967652	[C@H](O)(C1CC2CCN1CC2C=C)c1ccnc2c1cc(OC)cc2	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m1/s1	C20H24N2O2	324.417	4	1	45.59	2	4	0	-0.513600000000002	3.21819000000001	3.22	2.662	52.1148	95.2858000000001	2.5512	307.005538027591
Cond-000759	NP489	NP489	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	97.1641075951	C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O	InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19+/m0/s1	C19H20N2O2	308.374	4	2	52.57	5	1	0	-0.539499999999998	3.24896	3.11	1.857	66.4398	91.2855	2.3017	288.253094700923
Cond-000760	NP49	NP49	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	89.2352608778	CCN1C[C@@]2(CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14)OC(=O)c1ccccc1N	InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21?,22?,23+,24?,25+,27-,28+,29+,30+/m1/s1	C30H42N2O7	542.664	9	4	123.71	7	7	0	-3.2984	1.81379	3.77	2.584	112.6096	144.826	4.0139	503.020059088264
Cond-000761	NP490	NP490	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	87.3170731707	[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	C19H28O2	288.424	2	1	37.3	4	0	0	0.261499999999999	4.03928000000001	3.33	3.635	81.9381	85.6898000000001	2.3827	300.06186778859
Cond-000762	NP491	NP491	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	103.251123634	Oc1ccc(CC2NCCc3c2cc(O)c(O)c3)cc1O	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	C16H17NO4	287.31	5	5	92.95	3	2	0	-1.9824	1.96799	2.67	1.612	30.9857	79.3361	2.1138	256.761751417878
Cond-000763	NP492	NP492	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	56.3317073171	[C@@H]12OC(=O)[C@H](O)[C@]31[C@@H](C[C@H]1OC(=O)C4(O2)[C@@]2(O)[C@H](C)C(=O)O[C@H]2[C@H](O)[C@]314)C(C)(C)C	InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20?/m1/s1	C20H24O10	424.399	10	3	148.82	6	1	0	-1.3181	-1.13561	2.56	0.146	91.4414	95.2544	2.733	360.330289916546
Cond-000764	NP493	NP493	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	54.6731707317	C12CCC3(O)CC(O)CC[C@]3(C=O)[C@H]1CC[C@]1(C)[C@@H](CC=C21)c1coc(=O)cc1	InChI=1S/C24H30O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13-14,16-18,20,26,28H,3,6-12H2,1H3/t16?,17?,18-,20-,22+,23-,24?/m0/s1	C24H30O5	398.492	5	2	83.83	5	2	0	-0.530399999999999	3.22956000000001	3.55	3.104	108.0815	108.7976	3.0257	392.646636216408
Cond-000765	NP495	NP495	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.5853658537	[C@H]12CC=C(CO)[C@H]1[C@H](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC	InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17?/m1/s1	C17H24O10	388.366	10	5	155.14	3	6	0	-2.9212	-2.14283	2.23	-1.854	87.7195	89.293	2.6361	345.511712141346
Cond-000766	NP496	NP496	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	98.7414634146	[C@@H]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C3CC[C@@]12C)C(=O)O	InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21?,22?,23+,24-,26+,27+,28-,29-,30+/m1/s1	C30H48O5	488.699	5	4	97.99	5	2	1	0.170400000000001	5.19278000000001	4.21	7.439	137.0808	138.3862	4.0001	504.331920074009
Cond-000767	NP497	NP497	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	62.9170731707	[C@H]1(Cc2c([nH]c3c2cccc3)C2CCC(=O)N12)C(=O)O	InChI=1S/C15H14N2O3/c18-13-6-5-11-14-9(7-12(15(19)20)17(11)13)8-3-1-2-4-10(8)16-14/h1-4,11-12,16H,5-7H2,(H,19,20)/t11?,12-/m0/s1	C15H14N2O3	270.283	5	2	73.4	4	1	0	-1.6933	1.65678	2.56	1.503	37.0077	76.1858	1.9054	229.315841598817
Cond-000768	NP498	NP498	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	10.5853658537	C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C	InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1	C19H20O3	296.36	3	0	43.37	4	0	0	0.0396999999999997	3.22898	3.22	4.812	60.2519	85.739	2.2694	287.406259685951
Cond-000769	NP499	NP499	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.1073170732	[C@@H]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C3CC[C@@]12C)C(=O)O[C@@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22-,24-,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1	C48H78O19	959.122	19	12	315.21	8	10	2	-4.7278	-0.87271999999999	4.65	3.333	232.9605	234.464599999999	7.03230000000003	901.653441045058
Cond-000770	NP5	NP5	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.5407954573	COc1cc2c(oc(=O)cc2)c(OC(=O)C)c1OCC=C(C)C	InChI=1S/C17H18O6/c1-10(2)7-8-21-16-13(20-4)9-12-5-6-14(19)23-15(12)17(16)22-11(3)18/h5-7,9H,8H2,1-4H3	C17H18O6	318.321	6	0	71.06	2	6	0	1.5507	3.37586	2.67	2.585	62.0011	87.87	2.3379	301.261429236701
Cond-000771	NP50	NP50	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.2651408367	COc1c2occc2c(OC(=O)C)c2c1oc(C)cc2=O	InChI=1S/C15H12O6/c1-7-6-10(17)11-12(21-8(2)16)9-4-5-19-13(9)15(18-3)14(11)20-7/h4-6H,1-3H3	C15H12O6	288.252	6	0	74.97	3	3	0	-0.351200000000001	3.50647	2.45	1.315	42.9198	77.8245000000001	1.9475	243.413001284167
Cond-000772	NP500	NP500	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	74.312195122	[C@@H]12OC/C/3=C\C=C\[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)/C(=C/C[C@@H]4C[C@@H](C[C@@]5(O[C@H](C(C)CC)[C@@H](C)C=C5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@@]23O)/C	InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1	C48H72O14	873.077	14	3	170.06	7	8	1	-0.986799999999999	5.24224000000001	5.2	2.278	221.2667	229.198399999999	6.67540000000003	859.512931439853
Cond-000773	NP501	NP501	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	82.2992569941	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2=O	InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14?,15?,16?,18-,19+/m0/s1	C19H26O3	302.408	3	1	54.37	4	1	0	-0.2595	3.21988	3.22	1.263	84.7339	86.1018000000001	2.3984	306.215635788351
Cond-000774	NP503	NP503	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	41.4138254614	C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)C(O)C6O[C@@H]6OC(C)[C@H](O)C(O)C6O)[C@]5(C)C4CC[C@]23C)O[C@@]21CC[C@H](C)CO2	InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3/t17-,18-,19?,21+,22?,23?,24?,25+,26?,27+,28?,29-,30?,31?,32?,33?,34-,35+,36-,37-,38+/m0/s1	C38H60O12	708.876	12	6	176.76	8	4	2	-2.7791	1.92599000000001	4.32	2.679	172.7705	176.6688	5.25540000000001	669.798466583265
Cond-000775	NP504	NP504	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	96.9914110429	CCC(CCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C)C(C)C	InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21?,23?,25?,26?,27?,28?,29?,30-,31+/m0/s1	C31H52O2	456.743	2	0	26.3	4	8	1	1.6791	8.75568000000001	4.65	12.335	133.0276	140.737	4.0735	507.613683298992
Cond-000776	NP505	NP505	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	96.609802459	CN1C(C[C@H](O)c2ccccc2)CCCC1CC(=O)c1ccccc1	InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19?,20?,21-/m0/s1	C22H27NO2	337.455	3	1	40.54	3	6	1	-1.877	3.86329000000001	3.55	6.146	42.8946	102.8418	2.7988	340.320747071158
Cond-000777	NP506	NP506	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	100.960034648	COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(Oc6cc4cc(O)c6C)c5)C(O)c4ccc(Oc5cc3cc(Oc3ccc(cc3)C2O[C@@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)c5O[C@@H]2O[C@@H](CO[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc4)c2cc(c(O)cc2)c2c1cc(O)cc2O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	InChI=1S/C95H110N8O44/c1-30-47(110)18-37-20-48(30)138-49-19-35(9-16-46(49)109)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)136-51-21-38-22-52(81(51)145-95-83(76(121)72(117)56(143-95)29-133-91-78(123)73(118)67(112)32(3)135-91)147-94-82(75(120)70(115)54(27-105)142-94)146-93-77(122)71(116)55(28-106)141-93)137-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)134-57)65-89(130)101-63(90(131)132-4)43-23-39(107)24-50(139-92-79(124)74(119)69(114)53(26-104)140-92)58(43)42-17-36(10-15-45(42)108)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,53-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)/t31-,32-,44+,53-,54+,55-,56+,57-,59?,60?,61?,62?,63?,64?,65?,66-,67-,68?,69-,70+,71-,72+,73+,74+,75-,76-,77+,78+,79+,80?,82-,83+,91+,92+,93-,94+,95+/m1/s1	C95H110N8O44	2067.92	52	31	816.220000000001	15	18	3	-18.2883	-6.90480999999999	6.19	-2.5	306.1588	489.757000000001	13.8251	1766.23841311218
Cond-000778	NP507	NP507	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.0049079755	COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC	InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1	C22H22NO4+	364.414	5	0	41.02	4	4	0	-1.2116	5.4952	3.33	3.712	34.9957	109.766	2.7431	319.79005372028
Cond-000779	NP509	NP509	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	72.2944785276	CO[C@@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H]1OC	InChI=1S/C38H66O31/c1-57-31-30(14(8-44)64-38(32(31)58-2)68-29-13(7-43)62-35(24(54)20(29)50)65-26-10(4-40)59-33(56)21(51)17(26)47)69-37-25(55)19(49)28(12(6-42)63-37)67-36-23(53)18(48)27(11(5-41)61-36)66-34-22(52)16(46)15(45)9(3-39)60-34/h9-56H,3-8H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+/m1/s1	C38H66O31	1018.91	31	18	484.13	6	18	3	-10.4309	-12.7922	2.23	-10.918	207.4923	208.7334	6.63090000000003	864.162149996325
Cond-000780	NP51	NP51	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	84.8030198055	[C@H]12C=C(OC)C(=O)C[C@@]31CCN(C)[C@H]2Cc1c3c(O)c(OC)cc1	InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1	C19H23NO4	329.39	5	1	59	4	2	0	-0.7813	2.17818	3	1.294	68.9531	92.2548	2.4709	309.829705295479
Cond-000781	NP510	NP510	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	66.1987730061	CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OC1OCC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	InChI=1S/C28H48O23/c1-6-22(15(35)20(40)26(45-6)48-9-4-43-24(42)17(37)12(9)32)50-25-18(38)13(33)10(5-44-25)49-27-21(41)16(36)23(8(3-30)47-27)51-28-19(39)14(34)11(31)7(2-29)46-28/h6-42H,2-5H2,1H3	C28H48O23	752.667	23	14	366.29	5	10	2	-7.9796	-9.6188	2.01	-7.085	152.2735	153.0942	4.86090000000001	633.236948833972
Cond-000782	NP511	NP511	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	29.1926380368	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15+,16?,18?,19?,20-,21+/m0/s1	C21H32O2	316.478	2	1	37.3	4	1	1	0.292799999999999	4.67538000000001	3.55	5.569	90.143	94.8538000000001	2.6645	334.653837040324
Cond-000783	NP512	NP512	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	31.5501977774	C[C@H]1CCCC(=O)CCC/C=C/c2c(c(O)cc(O)c2)C(=O)O1	InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1	C18H22O5	318.364	5	2	83.83	2	0	0	-1.3456	3.36528000000001	2.89	3.187	58.6671	88.3516	2.4631	312.403645862807
Cond-000784	NP52	NP52	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	97.1386503067	CC1C2C(CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]23C)O[C@@]21CCC(C)CN2C(=O)C	InChI=1S/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3/t17?,18?,21?,22?,23?,24?,25?,26?,27-,28-,29+/m0/s1	C29H45NO3	455.672	4	1	49.77	6	1	1	-0.193700000000001	5.70588000000001	4.21	5.873	125.4342	132.1088	3.733	468.095783554387
Cond-000785	NP53	NP53	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	59.1920108942	[C@H]1(CO)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)C2=C1	InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1	C16H18N2O	254.327	3	2	39.26	4	1	0	-0.763900000000001	1.36529	2.89	1.33	44.0483	76.3438	1.9719	231.667831524362
Cond-000786	NP54	NP54	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	76.2949708043	[C@@H]12C[C@H]3/C(=C\C)/CN1CCC12c2c(NC1=C3C=O)c(O)ccc2	InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19?/m0/s1	C19H20N2O2	308.374	4	2	52.57	5	1	0	-0.539499999999998	3.24896	3.11	1.857	66.4398	91.2855	2.3017	288.253094700923
Cond-000787	NP55	NP55	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	28.3198342437	CC1=CC(=O)C2C(C)(C)C(O)CC[C@@]2(C)[C@@H]1COc1cc2c(ccc(=O)o2)cc1	InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20?,22?,24+/m1/s1	C24H28O5	396.476	5	1	72.83	4	3	0	0.942299999999999	4.42436000000001	3.55	3.602	85.4193	113.4508	3.0483	388.830177515608
Cond-000788	NP555	NP555	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)C(=O)C=C3[C@@]1(C)CCC(O)C2	InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15?,16-,17-,18?,19?,21?,22?,24?,25-,26+,27+/m0/s1	C27H40O4	428.604	4	1	55.76	6	0	0	0.230600000000002	5.05298000000001	3.99	3.958	113.7657	121.0638	3.4101	431.297280795047
Cond-000789	NP56	NP56	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	18.845356941	[C@H]12C3CCN1Cc1c(cc4OCOc4c1)[C@@H]2[C@H](O)[C@@H](O)C3	InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14-,15+,16+/m0/s1	C16H19NO4	289.326	5	2	62.16	5	0	0	-1.9827	0.989790000000001	2.67	0.738	48.0864	75.5466000000001	2.0256	250.858210118678
Cond-000790	NP57	NP57	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.2196319018	CN[C@H]1[C@@H](O)C2O[C@H](O[C@@H]3[C@H](N)C[C@@H](N)[C@@H](O)[C@H]3O)[C@H](N)CC2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@@H]1O	InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6-,7-,8?,9-,10-,11+,12-,13+,14-,15-,16+,17-,18?,19+,20-,21-/m1/s1	C21H41N5O11	539.577	16	15	283.64	4	6	2	-7.7234	-6.94929999999999	2.01	-4.994	117.0067	123.0441	3.77780000000001	474.022595787808
Cond-000791	NP58	NP58	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	10.3974383123	CC(=O)OC1/C=C(\C)/C(C/C=C(\C)/CCCC1(C)C)OC(=O)c1ccc(O)cc1	InChI=1S/C24H32O5/c1-16-7-6-14-24(4,5)22(28-18(3)25)15-17(2)21(13-8-16)29-23(27)19-9-11-20(26)12-10-19/h8-12,15,21-22,26H,6-7,13-14H2,1-5H3/b16-8+,17-15+	C24H32O5	400.508	5	1	72.83	2	5	1	2.1016	5.16287000000001	3.55	5.246	87.2883	115.1088	3.2655	413.543094917208
Cond-000792	NP59	NP59	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	29.7141292692	CC(=C)C1CC=CC(COc2ccc3ccc(=O)oc3c2)C1(C)CCC(=O)O	InChI=1S/C23H26O5/c1-15(2)19-6-4-5-17(23(19,3)12-11-21(24)25)14-27-18-9-7-16-8-10-22(26)28-20(16)13-18/h4-5,7-10,13,17,19H,1,6,11-12,14H2,2-3H3,(H,24,25)	C23H26O5	382.45	5	1	72.83	3	7	1	1.5042	5.04145000000001	3.44	5.123	83.8187	110.8358	2.973	381.254192889741
Cond-000793	NP597	NP597	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	C[C@]12CCC3C(CCC4=Cc5c(C[C@]34C)cno5)C1CC[C@]2(O)C#C	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20-,21-,22+/m0/s1	C22H27NO2	337.455	3	1	46.26	5	0	0	1.9109	4.11788000000001	3.55	4.472	81.6822	94.6458000000001	2.6676	331.780747071158
Cond-000794	NP6	NP6	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.7591010803	[C@@H]12C[C@@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CCC(C)(C)O	InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17?,19-,21?,22+,24+,25+,26+,27+/m0/s1	C27H44O6	464.635	6	5	118.22	4	5	0	-0.975500000000005	3.04328000000001	3.77	1.65	123.1271	128.185	3.7447	473.59065159777
Cond-000795	NP60	NP60	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	100.957055215	[C@@H]12CCCN1(=O)CC[C@H]2COC(=O)C(O)(C(C)C)C(C)O	InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13-,15?,16?/m0/s1	C15H27NO5	301.379	6	2	89.82	2	6	0	-2.3004	1.02829	2.45	-0.0820000000000003	68.3054	80.1610000000001	2.3552	295.594745697373
Cond-000796	NP603	NP603	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	COc1cc2c(cc1)C1CC[C@@]3(C)C(CCC3(O)C#CC3N(C)CCc4c3c(OC)c3OCOc3c4)C1CC2	InChI=1S/C33H39NO5/c1-32-13-9-24-23-8-6-22(36-3)17-20(23)5-7-25(24)26(32)10-14-33(32,35)15-11-27-29-21(12-16-34(27)2)18-28-30(31(29)37-4)39-19-38-28/h6,8,17-18,24-27,35H,5,7,9-10,12-14,16,19H2,1-4H3/t24?,25?,26?,27?,32-,33?/m0/s1	C33H39NO5	529.666	6	1	60.39	7	2	1	0.8159	6.04708000000001	4.43	5.909	102.3005	151.4938	4.0474	504.884964553375
Cond-000797	NP61	NP61	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.9466942927	C1(O)C(=O)c2c(OC1c1ccc(O)cc1)c(CC=C(C)C)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc2O	InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22?,23-,24?,26-/m1/s1	C26H30O11	518.51	11	7	186.37	4	6	1	-2.3361	0.516770000000006	3.11	0.924	81.2148	131.4846	3.63930000000001	462.627048269908
Cond-000798	NP62	NP62	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.7913577149	CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14	InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19+,20?,21+,22+,23-/m1/s1	C23H37NO5	407.544	6	3	82.39	6	4	0	-3.2502	0.877100000000001	3.33	0.256	103.4945	106.0724	3.091	387.173246601908
Cond-000799	NP630	NP630	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	CC1(C)CCc2c(O1)c1c(occ(c1=O)c1ccc(O)cc1)c1c2OC(C)(C)C=C1	InChI=1S/C25H24O5/c1-24(2)11-9-16-21(29-24)17-10-12-25(3,4)30-23(17)19-20(27)18(13-28-22(16)19)14-5-7-15(26)8-6-14/h5-9,11,13,26H,10,12H2,1-4H3	C25H24O5	404.455	5	1	64.99	5	1	0	0.538799999999998	5.39996000000001	3.66	4.503	68.2799	117.2118	2.9946	377.596786039074
Cond-000800	NP64	NP64	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	65.5517784217	CC1=CCC2C(C)(C)C(=O)CC2(C)C1COc1ccc2ccc(=O)oc2c1	InChI=1S/C23H26O4/c1-14-5-9-19-22(2,3)20(24)12-23(19,4)17(14)13-26-16-8-6-15-7-10-21(25)27-18(15)11-16/h5-8,10-11,17,19H,9,12-13H2,1-4H3	C23H26O4	366.45	4	0	52.6	4	3	0	1.8963	5.06346000000001	3.55	4.1	81.3276	107.444	2.8487	362.74396618918
Cond-000801	NP643	NP643	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	COc1c(OC)cc2c(c1)c1c3oc(C)cc3c(C)ccc1[n+]2C(=O)C	InChI=1S/C21H20NO4/c1-11-6-7-16-20(21-14(11)8-12(2)26-21)15-9-18(24-4)19(25-5)10-17(15)22(16)13(3)23/h6-10H,1-5H3/q+1	C21H20NO4+	350.388	5	0	51.68	4	3	0	0.221500000000001	2.10567	3.22	2.873	70.8024	103.745	2.6022	324.294069094413
Cond-000802	NP65	NP65	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	95.3192691656	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)C)[C@]2(C)[C@@H](O)C[C@H](OC(=O)C)C12	InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16?,17+,19-/m1/s1	C19H26O7	366.406	7	1	99.13	3	4	0	-0.370699999999999	1.53458	2.78	1.726	85.2042	92.5928	2.6988	351.096542590596
Cond-000803	NP654	NP654	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	C[C@@H]1C[C@@]2(C)C(CCC3C4CCC(O)[C@@]4(C)CCC23)C[C@@]21CS2	InChI=1S/C21H34OS/c1-13-10-20(3)14(11-21(13)12-23-21)4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20/h13-18,22H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18?,19+,20+,21+/m1/s1	C21H34OS	334.559	1	1	20.23	5	0	1	0.984000000000002	5.12160000000001	3.55	6.483	93.5073	97.4698000000001	2.7467	337.289093098163
Cond-000804	NP66	NP66	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	73.3640729149	CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C	InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15?,16?,17?,18-,19?,20+,21-/m1/s1	C21H30O3	330.461	3	1	54.37	4	1	0	0.150900000000001	3.85438	3.44	2.741	93.4185	95.2438000000001	2.6802	340.807605040085
Cond-000805	NP666	NP666	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	[C@@H]12[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@H](CC(=C1C(=O)C=C2C)C)OC(=O)c1ccccc1Cl	InChI=1S/C22H21ClO5/c1-10-8-15(24)17-11(2)9-16(19-12(3)21(25)28-20(19)18(10)17)27-22(26)13-6-4-5-7-14(13)23/h4-8,12,16,18-20H,9H2,1-3H3/t12-,16-,18-,19+,20+/m0/s1	C22H21ClO5	400.852	5	0	69.67	4	3	0	1.6438	3.72927	3.22	3.05	79.0488	105.242	2.8459	366.812817333507
Cond-000806	NP67	NP67	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	55.8036809816	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2O	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1	C19H30O2	290.44	2	2	40.46	4	0	0	-0.394700000000001	3.59719000000001	3.33	3.642	81.4057	83.4466000000001	2.4257	302.69832648939
Cond-000807	NP68	NP68	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	47.112195122	C/C(=C\COc1cc(=O)[nH]c2c1cccc2)/CCC(O)C(C)(C)O	InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+	C19H25NO4	331.406	5	3	78.79	2	7	0	-0.551300000000001	2.83187	3	2.756	68.0167	96.2073	2.6451	331.906163996279
Cond-000808	NP69	NP69	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.9853079676	CC[C@H]1C2CC3C4N(C)c5c(cccc5)[C@@]54C[C@@H](C2C5O)N3[C@@H]1O	InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14?,15-,16?,17?,18?,19+,20+/m0/s1	C20H26N2O2	326.433	4	2	46.94	4	1	0	-2.0681	1.5545	3.22	2.61	62.5474	91.7346000000001	2.463	301.101996728391
Cond-000809	NP7	NP7	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	84.3567526841	[C@H]12CCC(=C)[C@H](COc3cc4c(ccc(=O)o4)cc3)[C@]1(C)CC[C@H](OC(=O)C)C2(C)C	InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22+,23-,26-/m0/s1	C26H32O5	424.529	5	0	61.83	4	5	1	1.6214	5.81616000000001	3.77	5.85	93.1017	122.608	3.3301	423.422146767341
Cond-000810	NP70	NP70	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	55.7995078481	C[C@H]1CC2C3CC=C(C(=O)COC(=O)C)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12	InChI=1S/C24H30O5/c1-13-9-16-17-5-6-18(21(28)12-29-14(2)25)24(17,4)11-20(27)22(16)23(3)8-7-15(26)10-19(13)23/h6-8,10,13,16-17,20,22,27H,5,9,11-12H2,1-4H3/t13-,16?,17?,20?,22?,23-,24-/m0/s1	C24H30O5	398.492	5	1	80.67	4	4	0	-0.0322000000000017	3.19206	3.55	2.887	110.6233	110.0918	3.0913	402.366636216408
Cond-000811	NP706	NP706	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]1C(CNC(C)C1C3CC4CC3CCC1C4)C(=O)O2	InChI=1S/C27H41NO2/c1-15-5-4-8-27(3)13-24-21(12-23(15)27)22(26(29)30-24)14-28-16(2)25-19-7-6-18-9-17(10-19)11-20(18)25/h12,15-22,24-25,28H,4-11,13-14H2,1-3H3/t15-,16?,17?,18?,19?,20?,21+,22?,24+,25?,27+/m0/s1	C27H41NO2	411.62	3	1	38.33	6	4	1	-1.0621	5.51108000000001	4.1	7.388	113.7872	121.6547	3.3925	424.713587602092
Cond-000812	NP708	NP708	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]1C(CN1CCN(CC1)c1cccc(Cl)c1)C(=O)O2	InChI=1S/C25H33ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,6-7,13-14,17,20-21,23H,4-5,8-12,15-16H2,1-2H3/t17-,20+,21?,23+,25+/m0/s1	C25H33ClN2O2	428.995	4	0	32.78	5	3	1	1.0066	5.46337000000001	3.66	5.012	93.9372	124.184	3.3125	409.876528927358
Cond-000813	NP709	NP709	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]1C(CN1CCN(CC1)c1c(C)ccc(Cl)c1)C(=O)O2	InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13-14,17,20-21,24H,4-5,8-12,15-16H2,1-3H3/t17-,20+,21?,24+,26+/m0/s1	C26H35ClN2O2	443.021	4	0	32.78	5	3	1	1.6486	5.54610000000001	3.77	5.124	99.4393	128.09	3.4534	427.172513553225
Cond-000814	NP71	NP71	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	76.6872789394	C/C=C(\C)/C(=O)OC1Cc2c(OC1(C)C)ccc1c2oc(=O)cc1	InChI=1S/C19H20O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5+	C19H20O5	328.359	5	0	61.83	3	3	0	1.9846	4.18925000000001	3	3.83	66.8104	94.866	2.4524	314.706713087073
Cond-000815	NP72	NP72	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	80.1108536207	C(=C\1/CCC[C@]2(C)C(CCC12)[C@H](C)/C=C/[C@H](C)C(C)C)/C=C\1/C[C@@H](O)CCC1=C	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26?,27?,28+/m0/s1	C28H44O	396.648	1	1	20.23	3	5	1	2.1449	7.34576000000001	4.43	9.88000000000001	124.4072	124.5618	3.6147	454.019044020031
Cond-000816	NP73	NP73	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.5706070595	CCN1C[C@]2(C)CCC[C@@]34C5C[C@H]6[C@H](O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14	InChI=1S/C22H35NO3/c1-4-23-11-20(2)6-5-7-21-13-8-12-15(26-3)10-22(25,17(13)18(12)24)14(19(21)23)9-16(20)21/h12-19,24-25H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17?,18+,19?,20+,21-,22+/m1/s1	C22H35NO3	361.518	4	2	52.93	6	2	0	-1.9949	2.2798	3.44	2.11	95.8715	98.4806000000001	2.8327	352.296808574919
Cond-000817	NP736	NP736	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	C[C@H]1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]21CCC(C)CO2	InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19?,20-,21-,23?,24?,25?,26?,27?,28+,29+,30?,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+/m0/s1	C45H72O17	885.043	17	9	255.91	9	8	2	-4.4636	0.140290000000008	4.54	2.562	210.0492	213.919199999999	6.42660000000003	822.465033766336
Cond-000818	NP74	NP74	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	15.1911847806	COc1c(O)ccc(c1)C(=O)O[C@H]1CC(=CCC/C(=C/C(O)C1C(C)C)/C)C	InChI=1S/C23H32O5/c1-14(2)22-19(25)11-15(3)7-6-8-16(4)12-21(22)28-23(26)17-9-10-18(24)20(13-17)27-5/h8-11,13-14,19,21-22,24-25H,6-7,12H2,1-5H3/b15-11+,16-8?/t19?,21-,22?/m0/s1	C23H32O5	388.497	5	2	75.99	2	5	0	1.3113	4.45657000000001	3.44	4.331	85.9869	112.0436	3.1676	398.883568992141
Cond-000819	NP743	NP743	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[Na+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(=O)[O-]	InChI=1S/C30H46O3.Na/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7;/h19-22,24H,1,8-17H2,2-7H3,(H,32,33);/q;+1/p-1/t19-,20?,21?,22?,24?,27-,28+,29+,30?;/m0./s1	C30H45NaO3	476.666	3	0	57.2	5	2	1	2.2414	6.12308000000001	4.43	8.319	130.498	131.956	3.8182	482.796778621687
Cond-000820	NP745	NP745	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	C[C@H]1C2C(CC3C4CC(=O)C5CC(O)CC[C@]5(C)C4CC[C@]23C)O[C@@]21CCC(C)CO2	InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-21,23-24,28H,5-14H2,1-4H3/t15?,16-,17?,18?,19?,20?,21?,23?,24?,25+,26-,27+/m0/s1	C27H42O4	430.62	4	1	55.76	6	0	1	-0.238000000000004	5.20669000000001	3.99	5.019	113.3267	121.3578	3.4531	433.933739495848
Cond-000821	NP75	NP75	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	98.8522894059	C12C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OCC(C(O)OC)C1(O)C[C@H](O)[C@]2(C)O	InChI=1S/C17H30O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h6-15,18-25H,3-5H2,1-2H3/t6?,7-,8+,9-,10+,11-,12?,13?,14+,15?,16+,17?/m1/s1	C17H30O12	426.413	12	8	198.76	3	5	2	-4.5156	-4.3969	2.01	-2.693	89.0322	90.7854000000001	2.8825	371.001541644869
Cond-000822	NP754	NP754	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	CCCc1cc(c2c(c3ccc(o3)C(=O)OCC)c(C)n[nH]2)c(O)cc1OC	InChI=1S/C21H24N2O5/c1-5-7-13-10-14(15(24)11-18(13)26-4)20-19(12(3)22-23-20)16-8-9-17(28-16)21(25)27-6-2/h8-11,24H,5-7H2,1-4H3,(H,22,23)	C21H24N2O5	384.426	7	2	97.58	3	8	0	-0.5598	4.67819000000001	3	4.25	50.4899	114.2868	2.8908	346.855744054341
Cond-000823	NP755	NP755	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	Oc1cc2c(cc1)c1c(cccc1)c(=O)o2	InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H	C13H8O3	212.201	3	1	46.53	3	0	0	-0.5514	3.10938	2.56	3.524	8.8563	64.4678	1.4896	182.45035193075
Cond-000824	NP757	NP757	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)C1C3C(=O)C(=CC1=O)Cl	InChI=1S/C27H35ClO4/c1-14(2)16-13-27-10-7-19-25(3,8-6-9-26(19,4)24(31)32-5)20(27)11-15(16)21-18(29)12-17(28)23(30)22(21)27/h12-15,19-22H,6-11H2,1-5H3/t15?,19?,20?,21?,22?,25-,26+,27?/m0/s1	C27H35ClO4	459.017	4	0	60.44	3	3	1	0.864799999999992	5.57757000000001	3.88	5.78	125.0726	125.389	3.5121	450.95543116388
Cond-000825	NP761	NP761	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]1C(CN[C@H]1COC(C)(C)O[C@H]1c1ccccc1)C(=O)O2	InChI=1S/C27H37NO4/c1-17-9-8-12-27(4)14-23-19(13-21(17)27)20(25(29)31-23)15-28-22-16-30-26(2,3)32-24(22)18-10-6-5-7-11-18/h5-7,10-11,13,17,19-20,22-24,28H,8-9,12,14-16H2,1-4H3/t17-,19+,20?,22-,23+,24-,27+/m0/s1	C27H37NO4	439.587	5	1	56.79	5	4	1	-0.505700000000001	4.60198000000001	3.88	6.108	95.821	124.9667	3.4895	435.841123601614
Cond-000826	NP763	NP763	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	COc1c2c(cc(OCC(O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O	InChI=1S/C33H42N2O7/c1-22-8-6-11-26(36)10-5-3-4-9-24-15-28(16-30(40-2)32(24)33(39)42-22)41-21-27(37)20-34-17-23-14-25(19-34)29-12-7-13-31(38)35(29)18-23/h4,7,9,12-13,15-16,22-23,25,27,37H,3,5-6,8,10-11,14,17-21H2,1-2H3/b9-4+/t22-,23-,25+,27?/m0/s1	C33H42N2O7	578.696	9	1	105.61	5	6	0	-1.8729	3.78876000000001	4.1	3.331	132.6966	159.5088	4.4388	566.438636863463
Cond-000827	NP77	NP77	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	104.211959768	[C@@H]12Cc3ccc(OC)c(Oc4ccc(CC5=NCCc6c5cc(Oc5c1c(CCN2C)c(O)c(OC)c5OC)c(OC)c6)cc4)c3	InChI=1S/C37H38N2O7/c1-39-15-13-25-33-28(39)17-22-8-11-29(41-2)31(18-22)45-24-9-6-21(7-10-24)16-27-26-20-32(30(42-3)19-23(26)12-14-38-27)46-35(33)37(44-5)36(43-4)34(25)40/h6-11,18-20,28,40H,12-17H2,1-5H3/t28-/m1/s1	C37H38N2O7	622.707	9	1	91.21	6	4	0	-0.608799999999999	7.76998	4.54	4.738	81.2175	181.408999999999	4.6132	567.663823162129
Cond-000828	NP773	NP773	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	COc1c2OCOc2cc2c1C(CC(=O)C1CCC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]13C)N(C)CC2	InChI=1S/C33H45NO5/c1-32-12-9-21(35)16-20(32)5-6-22-23-7-8-25(33(23,2)13-10-24(22)32)27(36)17-26-29-19(11-14-34(26)3)15-28-30(31(29)37-4)39-18-38-28/h5,15,21-26,35H,6-14,16-18H2,1-4H3/t21?,22?,23?,24?,25?,26?,32-,33-/m0/s1	C33H45NO5	535.714	6	1	68.23	7	4	1	0.2637	6.72727000000001	4.43	5.26	126.4447	155.5988	4.1764	523.694340655775
Cond-000829	NP776	NP776	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	COc1c2OCOc2cc2c1C(CC(=O)c1cc(cc3c1CCC3(C)C)C(C)(C)C)N(C)CC2	InChI=1S/C29H37NO4/c1-28(2,3)18-13-20(19-8-10-29(4,5)21(19)14-18)23(31)15-22-25-17(9-11-30(22)6)12-24-26(27(25)32-7)34-16-33-24/h12-14,22H,8-11,15-16H2,1-7H3	C29H37NO4	463.608	5	0	48	5	5	1	2.344	6.43078000000001	4.1	7.353	88.322	140.26	3.6853	454.260175451748
Cond-000830	NP778	NP778	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	[C@@H]12CCC3C4CC=C(C(=O)CC5N(C)CCc6c5c(OC)c5OCOc5c6)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C33H45NO5/c1-32-12-9-21(35)16-20(32)5-6-22-23-7-8-25(33(23,2)13-10-24(22)32)27(36)17-26-29-19(11-14-34(26)3)15-28-30(31(29)37-4)39-18-38-28/h8,15,20-24,26,35H,5-7,9-14,16-18H2,1-4H3/t20-,21?,22?,23?,24?,26?,32-,33-/m0/s1	C33H45NO5	535.714	6	1	68.23	7	4	1	0.295500000000001	6.72727000000001	4.43	5.996	125.2123	155.5988	4.1764	523.694340655775
Cond-000831	NP779	NP779	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	COc1c2OCOc2cc2c1C(CC(=O)C1=CCC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]13C)N(C)CC2	InChI=1S/C33H43NO5/c1-32-12-9-21(35)16-20(32)5-6-22-23-7-8-25(33(23,2)13-10-24(22)32)27(36)17-26-29-19(11-14-34(26)3)15-28-30(31(29)37-4)39-18-38-28/h5,8,15,21-24,26,35H,6-7,9-14,16-18H2,1-4H3/t21?,22?,23?,24?,26?,32-,33-/m0/s1	C33H43NO5	533.698	6	1	68.23	7	4	0	0.231799999999994	6.57356000000001	4.43	4.731	127.8834	155.3048	4.1334	521.057881954975
Cond-000832	NP78	NP78	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	91.8651599494	COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O	InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3	C19H21NO4	327.374	5	2	62.16	4	2	0	-0.629500000000001	2.94499	3	1.199	45.7828	93.6158	2.4279	296.293246594679
Cond-000833	NP783	NP783	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	COc1c2OCOc2cc2c1C(CC(=O)/C=C/C=C(/C)\CCC1=C(C)CCCC1(C)C)[N+](C)(C)CC2	InChI=1S/C31H44NO4/c1-21(13-14-25-22(2)11-9-16-31(25,3)4)10-8-12-24(33)19-26-28-23(15-17-32(26,5)6)18-27-29(30(28)34-7)36-20-35-27/h8,10,12,18,26H,9,11,13-17,19-20H2,1-7H3/q+1/b12-8+,21-10-	C31H44NO4+	494.685	5	0	44.76	4	8	1	1.2637	7.59365000000001	4.32	5.378	122.8609	150.6674	4.0972	513.426832754681
Cond-000834	NP79	NP79	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	96.802290609	C12C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=CC1(O)C(O)C[C@]2(C)OC(=O)C	InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8-,9?,10-,11+,12-,13?,14+,15?,16+,17?/m1/s1	C17H26O11	406.382	11	6	175.37	3	5	2	-3.5153	-2.73332	2.12	-1.341	87.1711	91.0728	2.7378	356.938397542707
Cond-000835	NP793	NP793	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(Cc5c4c(C)no5)C3CC=C2C1	InChI=1S/C23H31NO3/c1-13-21-20(27-24-13)12-19-17-6-5-15-11-16(26-14(2)25)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-19H,6-12H2,1-4H3/t16?,17?,18?,19?,22-,23-/m0/s1	C23H31NO3	369.497	4	0	52.33	5	2	1	0.875300000000001	5.23080000000001	3.55	5.741	89.4483	105.395	2.9102	360.503417098386
Cond-000836	NP8	NP8	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	97.4926421939	COc1c2ccoc2nc2c1ccc(OCC(O)C(C)(C)OC)c2OC	InChI=1S/C19H23NO6/c1-19(2,24-5)14(21)10-26-13-7-6-11-15(17(13)23-4)20-18-12(8-9-25-18)16(11)22-3/h6-9,14,21H,10H2,1-5H3	C19H23NO6	361.389	7	1	83.18	3	7	0	-0.368600000000001	4.06888	2.78	1.639	49.6283	100.3108	2.6539	315.330158696602
Cond-000837	NP80	NP80	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	37.1902439024	COc1c2ccoc2nc2c1CCC(O)C2(CC=C(C)C)OC	InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3	C18H23NO4	317.38	5	1	64.72	3	4	0	0.339699999999999	3.88728	2.89	2.103	57.2613	89.9438000000001	2.4386	293.990179370412
Cond-000838	NP81	NP81	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	83.0005650782	[C@@H]12N3CCC41c1c(NC54CCC2(CCC3)CC5C(=O)OC)cccc1	InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15?,18-,19?,20?,21?/m0/s1	C21H26N2O2	338.443	4	1	41.57	4	2	0	-0.9232	3.16379	3.33	3.643	68.4749	98.7187000000001	2.5609	315.761522653458
Cond-000839	NP811	NP811	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)[C@]43O[C@H]4[C@@H]1C(CNCCc1c[nH]c3c1cc(OC)cc3)C(=O)O2	InChI=1S/C26H34N2O4/c1-15-5-4-9-25(2)12-21-22(23-26(15,25)32-23)19(24(29)31-21)14-27-10-8-16-13-28-20-7-6-17(30-3)11-18(16)20/h6-7,11,13,15,19,21-23,27-28H,4-5,8-10,12,14H2,1-3H3/t15-,19?,21+,22+,23-,25+,26-/m0/s1	C26H34N2O4	438.559	6	2	75.88	6	6	0	-1.1975	3.99118000000001	3.66	3.848	84.9781	126.3437	3.3398	406.285440483114
Cond-000840	NP823	NP823	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC=C(C)C3=C[C@@H]1C(CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C(=O)O2	InChI=1S/C26H31F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,5-7,13-14,20-21,23H,4,8-12,15-16H2,1-2H3/t20-,21?,23-,25-/m1/s1	C26H31F3N2O2	460.532	4	0	32.78	5	4	1	2.4292	5.33396000000001	3.55	5.804	97.9099	123.104	3.3411	427.527663632911
Cond-000841	NP83	NP83	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.5920010951	CC(O)(CCl)C(=O)O[C@H]1CC(=C)C2C[C@H](O)[C@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12	InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10?,11-,12-,13?,14?,15-,18?,19+/m0/s1	C19H24Cl2O7	435.296	7	3	113.29	3	5	0	0.362500000000001	0.99887	2.56	0.799	97.8149	103.4674	2.9436	381.518678131463
Cond-000842	NP835	NP835	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	[C@@H]12C[C@@]3(C)CCC=C(C)C3=C[C@@H]1C(CN1CCN(C(C)C1)c1ccc(OC)cc1)C(=O)O2	InChI=1S/C27H36N2O3/c1-18-6-5-11-27(3)15-25-22(14-24(18)27)23(26(30)32-25)17-28-12-13-29(19(2)16-28)20-7-9-21(31-4)10-8-20/h6-10,14,19,22-23,25H,5,11-13,15-17H2,1-4H3/t19?,22-,23?,25-,27-/m1/s1	C27H36N2O3	436.586	5	0	42.01	5	4	0	1.2686	5.05336000000001	3.88	4.706	103.3755	130.027	3.4876	435.41119840842
Cond-000843	NP84	NP84	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	103.36144492	CC1=C(C=C)/C(=C\c2c(C)c(CCC(=O)O)c(Cc3c(CCC(=O)O)c(C)c([nH]3)/C=C/3\NC(=O)C(=C3C)C=C)[nH]2)/NC1=O	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14+	C33H36N4O6	584.662	10	6	164.38	4	12	2	1.845	3.31207000000001	3.99	3.31	136.9684	164.115	4.4733	567.916095776035
Cond-000844	NP848	NP848	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCCC(=C)C3C[C@@H]1C(C[NH+](C)CC(O)COc1c3ccccc3ccc1)C(=O)O2	InChI=1S/C29H37NO4/c1-19-8-7-13-29(2)15-27-23(14-25(19)29)24(28(32)34-27)17-30(3)16-21(31)18-33-26-12-6-10-20-9-4-5-11-22(20)26/h4-6,9-12,21,23-25,27,31H,1,7-8,13-18H2,2-3H3/p+1/t21?,23-,24?,25?,27-,29-/m1/s1	C29H38NO4+	464.616	5	2	60.2	5	7	1	-1.9491	4.06927000000001	4.1	6.48	86.7315	137.7865	3.7068	455.578404802148
Cond-000845	NP85	NP85	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	12.0497581868	CC(=CCc1c(O)cc(O)c2c1O[C@@H](CC2=O)c1ccccc1)C	InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1	C20H20O4	324.37	4	2	66.76	3	3	0	0.523299999999999	4.23707	3.22	3.963	44.8987	96.0578	2.4916	309.676012311579
Cond-000846	NP859	NP859	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	[C@@H]12C[C@@]3(C)CCCC(=C)C3C[C@@H]1C(CN1CCC(=CC1)c1ccc(Cl)cc1)C(=O)O2	InChI=1S/C26H32ClNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-24H,1,3-4,10-16H2,2H3/t21-,22?,23?,24-,26-/m1/s1	C26H32ClNO2	425.991	3	0	29.54	5	3	1	1.3426	5.72067000000001	3.88	6.112	95.5171	123.079	3.3106	413.539294644258
Cond-000847	NP86	NP86	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	105.526904739	O.C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]21CCC(CO)(CCO)O2	InChI=1S/C20H36O5.H2O/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21;/h14-16,21-24H,4-13H2,1-3H3;1H2/t14-,15?,16+,17+,18+,19?,20-;/m1./s1	C20H38O6	374.512	5	4	90.15	3	4	0	-1.525	1.8548	3.11	1.94	91.074	94.9982000000001	2.8943	361.357908618541
Cond-000848	NP864	NP864	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]1C(CN1CCC(=CC1)c1ccc(Cl)cc1)C(=O)O2	InChI=1S/C26H32ClNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,14,17,21-22,24H,3-4,10-13,15-16H2,1-2H3/t17-,21+,22?,24+,26+/m0/s1	C26H32ClNO2	425.991	3	0	29.54	5	3	1	1.498	5.72067000000001	3.88	5.76	95.1651	123.079	3.3106	413.539294644258
Cond-000849	NP87	NP87	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	86.2120926728	[C@H]12[C@H](C)C(=O)C[C@H]1C(=C)C[C@H](O)[C@@H]1[C@@H]2OC(=O)C1=C	InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1	C15H18O4	262.301	4	1	63.6	3	0	0	-0.146700000000001	1.33257	2.67	-0.156	66.7995	70.7448	1.9591	255.541923985445
Cond-000850	NP871	NP871	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC=C(C)C3=C[C@@H]1C(CN1CCN(CC1)c1cc(Cl)c(Cl)cc1)C(=O)O2	InChI=1S/C25H30Cl2N2O2/c1-16-4-3-7-25(2)14-23-18(13-20(16)25)19(24(30)31-23)15-28-8-10-29(11-9-28)17-5-6-21(26)22(27)12-17/h4-6,12-13,18-19,23H,3,7-11,14-15H2,1-2H3/t18-,19?,23-,25-/m1/s1	C25H30Cl2N2O2	461.424	4	0	32.78	5	3	0	2.8197	5.96306000000001	3.55	4.882	102.7065	128.9	3.3919	422.451137996991
Cond-000851	NP872	NP872	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC=C(C)C3=C[C@@H]1C(CN1CCN(C(C)C1)c1cc(C)ccc1)C(=O)O2	InChI=1S/C27H36N2O2/c1-18-7-5-9-21(13-18)29-12-11-28(16-20(29)3)17-23-22-14-24-19(2)8-6-10-27(24,4)15-25(22)31-26(23)30/h5,7-9,13-14,20,22-23,25H,6,10-12,15-17H2,1-4H3/t20?,22-,23?,25-,27-/m1/s1	C27H36N2O2	420.587	4	0	32.78	5	3	1	1.9624	5.07278000000001	3.99	5.684	101.5618	127.115	3.4289	426.620971707858
Cond-000852	NP88	NP88	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	59.8700320211	CC1(C)[C@@H](O)CC[C@@]2(C)C1CCC(COc1cc3c(ccc(=O)o3)cc1)C2(C)O	InChI=1S/C24H32O5/c1-22(2)19-9-7-16(24(4,27)23(19,3)12-11-20(22)25)14-28-17-8-5-15-6-10-21(26)29-18(15)13-17/h5-6,8,10,13,16,19-20,25,27H,7,9,11-12,14H2,1-4H3/t16?,19?,20-,23-,24?/m0/s1	C24H32O5	400.508	5	2	75.99	4	3	0	0.346099999999999	4.51397000000001	3.55	4.488	84.4395	114.8146	3.1343	394.103094917208
Cond-000853	NP89	NP89	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	24.0392638037	[C@@H](O)(c1ccnc2ccccc12)C1CC2CCN1C[C@@H]2C=C	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18?,19+/m0/s1	C19H22N2O	294.391	3	1	36.36	2	3	0	-0.4618	3.20959	3.22	3.317	44.799	88.7338000000001	2.3516	280.919326701162
Cond-000854	NP891	NP891	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12C[C@@]3(C)CCC=C(C)C3=C[C@@H]1C(CN1CCC(=CC1)c1ccc(Cl)cc1)C(=O)O2	InChI=1S/C26H30ClNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h4-9,14,21-22,24H,3,10-13,15-16H2,1-2H3/t21-,22?,24-,26-/m1/s1	C26H30ClNO2	423.975	3	0	29.54	5	3	1	2.5668	5.56696000000001	3.88	5.534	98.3188	122.785	3.2676	410.902835943458
Cond-000855	NP899	NP899	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)CC2[C@]1(C)C[C@H](OC(=O)C)/C/2=C(/CCC=C(C)C)\C(=O)O	InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21?,22?,23+,24+,25-,27?,29-,30-,31-/m0/s1	C31H48O6	516.709	6	3	104.06	4	6	1	1.6223	5.75237000000001	4.21	5.904	142.0034	145.2544	4.2223	537.501672699636
Cond-000856	NP9	NP9	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	100.394697817	C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]21CC1(COC(=O)C1)CO2	InChI=1S/C20H32O5/c1-13-4-5-14-17(2,10-21)15(22)6-7-18(14,3)20(13)9-19(12-25-20)8-16(23)24-11-19/h13-15,21-22H,4-12H2,1-3H3/t13-,14?,15+,17+,18+,19?,20-/m1/s1	C20H32O5	352.465	5	2	75.99	4	1	0	-0.647599999999998	2.51839	3.11	2.466	90.0426	94.9806000000001	2.7427	346.364991216941
Cond-000857	NP90	NP90	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	92.7730128772	[C@@H](CCC(=O)O)(NC(=O)[C@@H](CC(C)C)NC(=O)C1SCC(=N1)C(N)C(C)CC)C(=O)N[C@H](C(C)CC)C(=O)N[C@@H]1CCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCN)NC1=O)C(C)CC	InChI=1S/C66H102N16O17S/c1-9-35(6)52(68)48-32-100-66(80-48)65(99)79-43(26-34(4)5)59(93)73-42(22-23-49(83)84)58(92)82-53(36(7)10-2)63(97)74-40-20-15-16-25-70-55(89)46(29-50(85)86)76-62(96)47(30-51(87)88)77-61(95)45(28-39-31-69-33-71-39)75-60(94)44(27-38-18-13-12-14-19-38)78-64(98)54(37(8)11-3)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31,33-37,40-47,52-54,66H,9-11,15-17,20-30,32,67-68H2,1-8H3,(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,97)(H,75,94)(H,76,96)(H,77,95)(H,78,98)(H,79,99)(H,81,91)(H,82,92)(H,83,84)(H,85,86)(H,87,88)/t35?,36?,37?,40-,41+,42+,43-,44-,45-,46-,47+,52?,53-,54-,66?/m1/s1	C66H102N16O17S	1423.68	33	19	550.38	4	35	4	-11.6935	-1.42861999999999	4.98	5.297	294.579	372.2359	10.8718	1370.02747648662
Cond-000858	NP91	NP91	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	73.5934252335	COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2C(COC2=O)[C@@H](O)c2c1cc1OCOc1c2	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19+,20+/m1/s1	C22H22O8	414.405	8	1	92.68	5	4	0	-1.5006	2.78608	3	1.259	56.5346	107.0038	2.834	357.352429664758
Cond-000859	NP92	NP92	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	85.8689636919	[C@@H]12[C@@H](O)CCN1CC=C2COC(=O)C(O)(C(C)C)C(C)O	InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13+,15?/m0/s1	C15H25NO5	299.363	6	3	90.23	2	6	0	-1.2517	-0.16722	2.45	-0.832	75.6934	79.4684	2.3122	292.958286996573
Cond-000860	NP922	NP922	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	[C@@H]12C[C@@]3(C)CCC[C@H](C)C43OC4[C@@H]1C(CNCCc1c[nH]c3c1cccc3)C(=O)O2	InChI=1S/C25H32N2O3/c1-15-6-5-10-24(2)12-20-21(22-25(15,24)30-22)18(23(28)29-20)14-26-11-9-16-13-27-19-8-4-3-7-17(16)19/h3-4,7-8,13,15,18,20-22,26-27H,5-6,9-12,14H2,1-2H3/t15-,18?,20+,21+,22?,24+,25?/m0/s1	C25H32N2O3	408.533	5	2	66.65	6	5	0	-1.1457	3.98258000000001	3.66	4.503	77.6623	119.7917	3.1402	380.199229156686
Cond-000861	NP927	NP927	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	NA	COC(=O)c1ccc(Oc2c([nH]nc2)c2c(O)cc(OC)cc2)cc1	InChI=1S/C18H16N2O5/c1-23-13-7-8-14(15(21)9-13)17-16(10-19-20-17)25-12-5-3-11(4-6-12)18(22)24-2/h3-10,21H,1-2H3,(H,19,20)	C18H16N2O5	340.33	7	2	93.67	3	6	0	-1.0754	3.40548	2.67	3.009	26.7879	96.4948	2.4251	292.33133147594
Cond-000862	NP939	NP939	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	NA	[C@@H]12CCC3C4CCC(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	C21H34O2	318.493	2	1	37.3	4	1	1	0.324700000000002	4.82909000000001	3.55	6.098	88.7043	95.1478000000001	2.7075	337.290295741124
Cond-000863	NP94	NP94	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	94.906282332	C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)C(O)C6O[C@@H]6OC(C)[C@H](O)C(O)C6O)[C@]5(C)C4CC[C@]23C)O[C@@]21CC(O)[C@H](C)CO2	InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3/t16-,17+,18?,20-,21?,22?,23?,24?,25-,26?,27-,28?,29+,30?,31?,32?,33?,34+,35-,36+,37+,38-/m1/s1	C38H60O13	724.875	13	7	196.99	8	4	2	-3.5454	0.896790000000007	4.21	1.649	174.2812	178.0586	5.31410000000001	678.588693283826
Cond-000864	NP95	NP95	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	79.6854398192	CC1(C)OC1COc1c2oc(=O)ccc2cc2c1occ2	InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3	C16H14O5	286.279	5	0	61.2	4	3	0	0.362999999999999	3.97396	2.67	2.204	43.2706	81.633	1.9641	242.198759209473
Cond-000865	NP950	NP950	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	FALSE	FALSE	86.6589914805	C12CCC3(O)CC(CC[C@]3(C=O)[C@H]1[C@H](O)C[C@]1(C)[C@@H](CCC21O)C1=CC(=O)OC1)OC1OC(C)C(O)C(O)C1O	InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16?,17-,18?,19+,21+,22?,23?,24?,25?,26+,27-,28?,29?/m0/s1	C29H42O11	566.637	11	6	183.21	6	4	2	-3.3192	-0.119119999999998	3.44	-0.0999999999999997	134.8165	139.1598	4.0598	524.784378249908
Cond-000866	NP952	NP952	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	TRUE	NA	[C@@H]1(CC#N)[C@H](c2c(C)[nH]c3c2ccc2cccnc32)C1(C)C	InChI=1S/C19H19N3/c1-11-15(16-14(8-9-20)19(16,2)3)13-7-6-12-5-4-10-21-17(12)18(13)22-11/h4-7,10,14,16,22H,8H2,1-3H3/t14-,16-/m1/s1	C19H19N3	289.374	3	1	52.47	4	2	0	0.967000000000001	4.79209	3.22	4.034	40.7022	91.514	2.3067	266.952942807168
Cond-000867	NP96	NP96	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	81.9265594763	[C@H]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C(=O)O	InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12?,14-/m1/s1	C16H18N2O4S	334.39	6	2	112.01	3	5	0	-0.4719	1.09469	2.45	3.123	58.0361	89.0475	2.3771	297.167535683645
Cond-000868	NP97	NP97	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	14.7297042758	C/C(=C/COc1cc2c(ccc(=O)o2)cc1)/CCC1C(=C)CCC(O)C1(C)C	InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13-	C24H30O4	382.493	4	1	55.76	3	6	0	1.9186	5.48175000000001	3.66	4.923	86.8553	114.9508	3.0982	392.396409515847
Cond-000869	NP99	NP99	10-ug/ml	RIKEN NPDepo	RIKEN_NP	TRUE	TRUE	FALSE	90.0823617987	C[C@H]1C2[C@H](OC1=O)C1C(=CC(=O)C1=C(C)C[C@@H]2O)C	InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3/t8-,10-,12?,13?,14+/m0/s1	C15H18O4	262.301	4	1	63.6	3	0	0	0.5303	1.47667	2.67	-0.11	69.7061	70.8148	1.9591	255.541923985445
Cond-000870	NPD1	NPD1	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6020051073	CCCC(NC(=O)C(C)NC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)O	InChI=1S/C31H46N2O7/c1-5-6-24(29(38)39)33-28(37)18(2)32-26(35)11-12-27(36)40-25-10-9-22-21-8-7-19-17-20(34)13-15-30(19,3)23(21)14-16-31(22,25)4/h17-18,21-25H,5-16H2,1-4H3,(H,32,35)(H,33,37)(H,38,39)/t18?,21?,22?,23?,24?,25?,30-,31-/m0/s1	C31H46N2O7	558.706	9	3	138.87	4	13	1	-1.5967	4.24458000000001	3.88	4.068	141.1321	150.8762	4.3946	563.01250241493
Cond-000871	NPD10	NPD10	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.7714394734	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CBr	InChI=1S/C21H29BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,25H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20-,21-/m0/s1	C21H29BrO3	409.357	3	1	54.37	4	2	0	0.993799999999997	4.37348	3.33	3.61	100.8905	103.4338	2.8552	360.091224017652
Cond-000872	NPD100	NPD100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0613397332	CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C23H28O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5-7,10,13,18-20H,8-9,11-12H2,1-4H3/t18?,19?,20?,21-,22-,23-/m0/s1	C23H28O4	368.466	4	0	60.44	4	3	0	1.3813	3.97366	3.55	4.125	104.9057	104.133	2.8917	376.28042488998
Cond-000873	NPD1000	NPD1000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.07863516	CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C	InChI=1S/C20H35NO11/c1-5-6-27-16-15(30-19-17(16)31-20(3,4)32-19)10(24)8-28-18-12(21-9(2)23)14(26)13(25)11(7-22)29-18/h10-19,22,24-26H,5-8H2,1-4H3,(H,21,23)/t10?,11-,12-,13-,14-,15-,16+,17-,18-,19-/m1/s1	C20H35NO11	465.492	12	5	165.4	3	10	1	-3.6088	-1.78691	2.34	-1.17	103.422	109.2959	3.3033	422.459570329275
Cond-000874	NPD1002	NPD1002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5416562422	COc1ccc(cc1)C1CC(=O)C2=C(C1)OC1=C(C2c2cc(OC)c(OC)c(OC)c2)C(=O)CC(C1)c1ccc(OC)cc1	InChI=1S/C36H36O8/c1-39-25-10-6-20(7-11-25)22-14-27(37)34-29(16-22)44-30-17-23(21-8-12-26(40-2)13-9-21)15-28(38)35(30)33(34)24-18-31(41-3)36(43-5)32(19-24)42-4/h6-13,18-19,22-23,33H,14-17H2,1-5H3	C36H36O8	596.666	8	0	93.43	6	8	0	-1.6417	6.52894	4.54	4.842	93.8248	165.825	4.44	549.52100352129
Cond-000875	NPD1003	NPD1003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6513705962	CCc1ccc(cc1)C(=O)CC1N(C)CCc2cc3c(OCO3)c(OC)c12	InChI=1S/C22H25NO4/c1-4-14-5-7-15(8-6-14)18(24)12-17-20-16(9-10-23(17)2)11-19-21(22(20)25-3)27-13-26-19/h5-8,11,17H,4,9-10,12-13H2,1-3H3	C22H25NO4	367.438	5	0	48	4	5	0	0.055699999999999	4.47188	3.33	4.25	56.1902	109.591	2.8076	345.54474177148
Cond-000876	NPD1004	NPD1004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.4666603072	COc1ccc(cc1Cn1nc(C)c(Cl)c1C)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C24H25ClN4O/c1-14-22(25)15(2)29(28-14)13-17-12-16(8-9-21(17)30-3)23-24-19(10-11-26-23)18-6-4-5-7-20(18)27-24/h4-9,12,23,26-27H,10-11,13H2,1-3H3	C24H25ClN4O	420.934	5	2	54.87	5	4	0	0.9723	4.66353000000001	3.44	4.609	51.1685	119.8227	3.1405	362.538003214063
Cond-000877	NPD1005	NPD1005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.041266894	CC1(C)CC(=O)C2=C(C1)N1CCc3c(cccc3)C1C/C/2=N\NC(=O)N	InChI=1S/C20H24N4O2/c1-20(2)10-16-18(17(25)11-20)14(22-23-19(21)26)9-15-13-6-4-3-5-12(13)7-8-24(15)16/h3-6,15H,7-11H2,1-2H3,(H3,21,23,26)/b22-14+	C20H24N4O2	352.43	6	3	87.79	4	2	0	0.363300000000002	1.73777	3	3.908	73.2555	102.0331	2.7078	337.262599743124
Cond-000878	NPD1006	NPD1006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.410154977	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1/C=C\1/C(=O)NC(=O)N(C1=O)c1c(C)cc(C)cc1C	InChI=1S/C32H31N3O7/c1-18-13-19(2)26(20(3)14-18)35-31(38)24(29(36)33-32(35)39)16-23-22(15-25-28(27(23)40-5)42-17-41-25)11-12-34(4)30(37)21-9-7-6-8-10-21/h6-10,13-16H,11-12,17H2,1-5H3,(H,33,36,39)/b24-16-	C32H31N3O7	569.604	10	1	114.48	5	8	1	0.7037	4.62283000000001	3.88	5.683	82.5205	157.5192	4.1827	525.157118941764
Cond-000879	NPD1007	NPD1007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7659049658	COc1ccc(CC2(CN3CCc4c(cc(OC)c(OC)c4)[C@@H]3C)C(=O)NC(=O)N(C2=O)c2ccccc2)cc1	InChI=1S/C31H33N3O6/c1-20-25-17-27(40-4)26(39-3)16-22(25)14-15-33(20)19-31(18-21-10-12-24(38-2)13-11-21)28(35)32-30(37)34(29(31)36)23-8-6-5-7-9-23/h5-13,16-17,20H,14-15,18-19H2,1-4H3,(H,32,35,37)/t20-,31?/m0/s1	C31H33N3O6	543.61	9	1	97.41	5	8	1	-0.650799999999998	3.92758000000001	3.88	5.071	75.0653	152.3357	4.0691	504.343825016936
Cond-000880	NPD1008	NPD1008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8322045216	CCOC(=O)c1c(Nc2ccc(cc2)C(=O)OC)c2cc(OC)ccc2nc1	InChI=1S/C21H20N2O5/c1-4-28-21(25)17-12-22-18-10-9-15(26-2)11-16(18)19(17)23-14-7-5-13(6-8-14)20(24)27-3/h5-12H,4H2,1-3H3,(H,22,23)	C21H20N2O5	380.394	7	1	86.75	3	8	0	-0.1994	4.92397	3	4.033	38.8864	109.6212	2.8048	341.582826652741
Cond-000881	NPD1009	NPD1009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2339254441	CCC(=O)N(CCC(c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccccc1	InChI=1S/C29H35NO3/c1-5-29(31)30(21-23-11-7-6-8-12-23)20-19-26(27-13-9-10-14-28(27)32-4)24-15-17-25(18-16-24)33-22(2)3/h6-18,22,26H,5,19-21H2,1-4H3	C29H35NO3	445.593	4	0	38.77	3	12	2	-1.0981	6.87639000000001	4.21	8.57	58.1353	137.697	3.7148	451.373490050386
Cond-000882	NPD101	NPD101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.066549912	[C@H]12CCc3c(c4c([nH]3)cccc4)[C@H]1C(=O)N(CC(=O)N1CCCC1)C2=O	InChI=1S/C20H21N3O3/c24-16(22-9-3-4-10-22)11-23-19(25)13-7-8-15-17(18(13)20(23)26)12-5-1-2-6-14(12)21-15/h1-2,5-6,13,18,21H,3-4,7-11H2/t13-,18-/m0/s1	C20H21N3O3	351.399	6	1	73.48	5	3	0	-2.3463	1.90757	3	1.241	59.0809	99.835	2.5581	311.799607534719
Cond-000883	NPD1010	NPD1010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.223657292	COc1cc(N2CC(=O)C(=C2N)c2nc3c(cccc3)c(=O)[nH]2)c(OC)cc1	InChI=1S/C20H18N4O4/c1-27-11-7-8-16(28-2)14(9-11)24-10-15(25)17(18(24)21)19-22-13-6-4-3-5-12(13)20(26)23-19/h3-9H,10,21H2,1-2H3,(H,22,23,26)	C20H18N4O4	378.381	8	3	106.25	4	4	0	-1.6245	2.05616	2.78	2.883	52.4391	108.1061	2.6962	336.033677041846
Cond-000884	NPD10100	NPD10100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	NA	CC(C)c1cc2c(cc1)C1(C)CCCC(C)(C#N)C1CC2	InChI=1S/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3	C20H27N	281.435	1	0	23.79	3	1	1	1.1759	5.41009000000001	3.55	8.057	62.4509	88.7830000000001	2.4856	304.321241819901
Cond-000885	NPD1011	NPD1011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.4403669725	CCOC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1)C(O)c1ccccc1	InChI=1S/C34H44N2O6/c1-5-34(40)19-16-27-25-13-12-23-20-24(14-17-32(23,3)26(25)15-18-33(27,34)4)36-42-21-28(37)35-29(31(39)41-6-2)30(38)22-10-8-7-9-11-22/h1,7-11,20,25-27,29-30,38,40H,6,12-19,21H2,2-4H3,(H,35,37)/b36-24-/t25?,26?,27?,29?,30?,32-,33-,34+/m0/s1	C34H44N2O6	576.723	8	3	117.45	5	10	1	0.0967999999999989	4.51586000000001	4.32	6.131	130.5948	162.5463	4.521	574.944394788768
Cond-000886	NPD1012	NPD1012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2430860838	COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1OCOc1c2C(=O)/C=C/c1c(OC)c(OC)c(OC)cc1	InChI=1S/C27H32NO9/c1-28(14-21(30)32-3)12-11-17-18(13-28)24(34-5)27-26(36-15-37-27)22(17)19(29)9-7-16-8-10-20(31-2)25(35-6)23(16)33-4/h7-10H,11-15H2,1-6H3/q+1/b9-7+	C27H32NO9+	514.544	10	0	98.75	4	10	0	-1.666	3.02318000000001	3.33	1.167	88.4481	137.4524	3.7411	472.021110352419
Cond-000887	NPD1013	NPD1013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.941268752	CC(C)CCOc1ccc(COC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)cc1	InChI=1S/C30H44O7/c1-21(2)13-18-32-23-11-9-22(10-12-23)19-31-20-24-25-26(35-29(34-25)14-5-3-6-15-29)27-28(33-24)37-30(36-27)16-7-4-8-17-30/h9-12,21,24-28H,3-8,13-20H2,1-2H3/t24-,25+,26+,27-,28-/m1/s1	C30H44O7	516.666	7	0	64.61	6	8	1	-3.6684	6.03449000000001	3.99	6.369	93.136	138.35	3.9659	496.019456073531
Cond-000888	NPD1014	NPD1014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.544724064	COc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(=O)C)c(Br)c(OC)c1OC	InChI=1S/C22H19BrO8/c1-10-8-16(25)31-19-12(10)6-7-14(17(19)11(2)24)30-22(26)13-9-15(27-3)20(28-4)21(29-5)18(13)23/h6-9H,1-5H3	C22H19BrO8	491.285	8	0	97.36	3	7	0	1.1048	5.27176	2.89	3.051	68.4258	120.792	3.0972	393.439589941524
Cond-000889	NPD1015	NPD1015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3802744248	CCCC(=C1C(=O)CC(C)(C)CC1=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C22H31NO4/c1-6-7-16(21-17(24)13-22(2,3)14-18(21)25)23-11-10-15-8-9-19(26-4)20(12-15)27-5/h8-9,12,23H,6-7,10-11,13-14H2,1-5H3	C22H31NO4	373.486	5	1	64.63	2	8	0	0.0437000000000003	4.00838000000001	3.33	4.567	82.199	109.1887	3.0678	383.79411787388
Cond-000890	NPD1016	NPD1016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1658986175	CCCCCOc1c(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cccc1	InChI=1S/C23H33NO7/c1-6-7-10-13-26-15-12-9-8-11-14(15)24-20(25)18-16-17(29-22(2,3)28-16)19-21(27-18)31-23(4,5)30-19/h8-9,11-12,16-19,21H,6-7,10,13H2,1-5H3,(H,24,25)/t16-,17+,18+,19-,21-/m1/s1	C23H33NO7	435.511	8	1	84.48	4	8	0	-2.2914	4.42458000000001	3.11	4.025	81.3918	116.1007	3.2536	408.02078260143
Cond-000891	NPD1017	NPD1017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.5038633979	CCCOC(=O)c1ccc(cc1)N1COc2ccc3c(C)cc(=O)oc3c2C1	InChI=1S/C22H21NO5/c1-3-10-26-22(25)15-4-6-16(7-5-15)23-12-18-19(27-13-23)9-8-17-14(2)11-20(24)28-21(17)18/h4-9,11H,3,10,12-13H2,1-2H3	C22H21NO5	379.406	6	0	65.07	4	5	0	0.2764	5.22726	3.22	4.253	54.0946	110.6585	2.7803	349.062051070441
Cond-000892	NPD1018	NPD1018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5239418449	COc1c(Cn2nc(C)cc2C)cc(cc1)C1NCCc2c1[nH]c1ccccc21	InChI=1S/C24H26N4O/c1-15-12-16(2)28(27-15)14-18-13-17(8-9-22(18)29-3)23-24-20(10-11-25-23)19-6-4-5-7-21(19)26-24/h4-9,12-13,23,25-26H,10-11,14H2,1-3H3	C24H26N4O	386.489	5	2	54.87	5	4	0	0.228	4.01013000000001	3.55	4.513	45.5529	114.8127	3.0181	347.32693544363
Cond-000893	NPD1019	NPD1019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.627904696	COCCN1C(C(=C(O)C1=O)C(=O)c1ccco1)c1ccc(OC)c(OC)c1	InChI=1S/C20H21NO7/c1-25-10-8-21-17(12-6-7-13(26-2)15(11-12)27-3)16(19(23)20(21)24)18(22)14-5-4-9-28-14/h4-7,9,11,17,23H,8,10H2,1-3H3	C20H21NO7	387.383	8	1	98.44	3	8	0	-1.5262	2.07498	2.78	2.221	59.8803	100.5428	2.7675	347.04345262143
Cond-000894	NPD102	NPD102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5879996184	CC(C)(CO)C(O)C(=O)NCCCCCC(=O)O[Ca]OC(=O)CCCCCNC(=O)C(O)C(C)(C)CO	InChI=1S/2C12H23NO5.Ca/c2*1-12(2,8-14)10(17)11(18)13-7-5-3-4-6-9(15)16;/h2*10,14,17H,3-8H2,1-2H3,(H,13,18)(H,15,16);/q;;+2/p-2	C24H44CaN2O10	560.692	12	6	191.72	0	24	3	-3.3908	0.214890000000003	2.67	0.168	117.0366	132.8161	4.0392	NA
Cond-000895	NPD1020	NPD1020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5090695166	CCOc1c(NC(=O)[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)cccc1	InChI=1S/C26H35NO7/c1-2-29-18-12-6-5-11-17(18)27-23(28)21-19-20(32-25(31-19)13-7-3-8-14-25)22-24(30-21)34-26(33-22)15-9-4-10-16-26/h5-6,11-12,19-22,24H,2-4,7-10,13-16H2,1H3,(H,27,28)/t19-,20+,21+,22-,24-/m1/s1	C26H35NO7	473.559	8	1	84.48	6	5	0	-4.2228	5.10288000000001	3.44	4.419	77.5578	125.7237	3.4591	435.195819077431
Cond-000896	NPD1021	NPD1021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8566159084	[nH+]1c(Cc2cc(OC)c(OC)cc2N(=O)=O)c2cc(OC)c(OC)cc2cc1	InChI=1S/C20H20N2O6/c1-25-17-8-12-5-6-21-15(14(12)10-19(17)27-3)7-13-9-18(26-2)20(28-4)11-16(13)22(23)24/h5-6,8-11H,7H2,1-4H3/p+1	C20H21N2O6+	385.391	8	1	94.2	3	7	0	-0.6698	4.19369	2.78	3.138	37.9078	108.517	2.7871	337.031756778635
Cond-000897	NPD1022	NPD1022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.693503768	COc1ccc(cc1COc1ccc(Br)cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C25H23BrN2O2/c1-29-23-11-6-16(14-17(23)15-30-19-9-7-18(26)8-10-19)24-25-21(12-13-27-24)20-4-2-3-5-22(20)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3	C25H23BrN2O2	463.366	4	2	46.28	5	5	1	0.0704999999999996	6.03538000000001	3.66	6.108	41.4081	126.7167	3.1501	368.066786630491
Cond-000898	NPD1023	NPD1023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3509491558	CC(C)OC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1	InChI=1S/C25H22O6/c1-15(2)29-25(27)16(3)30-20-10-11-21-22(13-20)28-14-23(24(21)26)31-19-9-8-17-6-4-5-7-18(17)12-19/h4-16H,1-3H3	C25H22O6	418.439	6	0	71.06	4	7	1	-1.3708	6.71665	3.55	7.434	49.7998	124.5335	3.07590000000001	382.570554038835
Cond-000899	NPD1024	NPD1024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.3517122961	COc1ccc(cc1COc1c(C)c(C)ccc1)C1NCCc2c1[nH]c1c2cc(OCc2ccccc2)cc1	InChI=1S/C34H34N2O3/c1-22-8-7-11-31(23(22)2)39-21-26-18-25(12-15-32(26)37-3)33-34-28(16-17-35-33)29-19-27(13-14-30(29)36-34)38-20-24-9-5-4-6-10-24/h4-15,18-19,33,35-36H,16-17,20-21H2,1-3H3	C34H34N2O3	518.645	5	2	55.51	6	8	1	0.323200000000001	6.62313000000001	4.65	8.573	50.1445	156.5807	4.06430000000001	482.071421183087
Cond-000900	NPD1025	NPD1025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7279843444	CCOC(=O)COc1ccc2cc(c3nc4c(o3)cccc4)c(=O)oc2c1	InChI=1S/C20H15NO6/c1-2-24-18(22)11-25-13-8-7-12-9-14(20(23)27-17(12)10-13)19-21-15-5-3-4-6-16(15)26-19/h3-10H,2,11H2,1H3	C20H15NO6	365.336	7	0	87.86	4	6	0	-0.0673000000000001	4.07756	2.89	3.664	39.4726	100.576	2.5142	309.723849818468
Cond-000901	NPD1026	NPD1026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7805006967	CCc1c(OC(=O)C(C)C)cc2oc(C(C)C)c(c3nc4c(s3)cccc4)c(=O)c2c1	InChI=1S/C25H25NO4S/c1-6-15-11-16-19(12-18(15)30-25(28)14(4)5)29-23(13(2)3)21(22(16)27)24-26-17-9-7-8-10-20(17)31-24/h7-14H,6H2,1-5H3	C25H25NO4S	435.535	5	0	93.73	4	6	1	1.5211	7.52045000000001	3.55	5.919	69.1814	129.9735	3.2648	397.13234360428
Cond-000902	NPD1027	NPD1027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.18935487	[C@H]12CCCCN1CCC[C@H]2COC(=O)/C(=C/c1ccc(OC)cc1)/C#N	InChI=1S/C21H26N2O3/c1-25-19-9-7-16(8-10-19)13-18(14-22)21(24)26-15-17-5-4-12-23-11-3-2-6-20(17)23/h7-10,13,17,20H,2-6,11-12,15H2,1H3/b18-13+/t17-,20+/m0/s1	C21H26N2O3	354.443	5	0	62.56	3	6	0	-1.0409	3.29338	3.22	3.859	68.2381	99.935	2.8164	353.711749354019
Cond-000903	NPD1028	NPD1028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8734323194	CCOC(=O)c1c(oc2ccc(OCC=C(C)C)cc12)c1ccc(OC)cc1	InChI=1S/C23H24O5/c1-5-26-23(24)21-19-14-18(27-13-12-15(2)3)10-11-20(19)28-22(21)16-6-8-17(25-4)9-7-16/h6-12,14H,5,13H2,1-4H3	C23H24O5	380.434	5	0	57.9	3	8	1	1.4694	5.49917000000001	3.44	5.078	51.6511	114.883	2.93	356.817734188941
Cond-000904	NPD1029	NPD1029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.180471696	CCC[C@@]12CN(C[C@@](CCC)(CN(C1)C(=O)CC(C)C)C2=O)C(=O)CC(C)C	InChI=1S/C23H40N2O3/c1-7-9-22-13-24(19(26)11-17(3)4)15-23(10-8-2,21(22)28)16-25(14-22)20(27)12-18(5)6/h17-18H,7-16H2,1-6H3/t22-,23+	C23H40N2O3	392.575	5	0	57.69	2	10	0	-1.3598	4.13899000000001	3.44	3.787	109.3042	115.002	3.3788	422.106012109753
Cond-000905	NPD103	NPD103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.509853907	CCOC1=C(COc2ccc3c(oc(=O)cc3c3ccccc3)c2)N(C)C(=O)NC1c1ccccc1	InChI=1S/C29H26N2O5/c1-3-34-28-24(31(2)29(33)30-27(28)20-12-8-5-9-13-20)18-35-21-14-15-22-23(19-10-6-4-7-11-19)17-26(32)36-25(22)16-21/h4-17,27H,3,18H2,1-2H3,(H,30,33)	C29H26N2O5	482.527	7	1	77.1	5	7	1	-0.8711	5.19756000000001	3.88	8.04	61.2672	138.4167	3.58580000000001	447.328410155675
Cond-000906	NPD1030	NPD1030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8625006041	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)OCc3ccccc3)ccc12	InChI=1S/C25H20O6/c1-28-19-9-7-18(8-10-19)22-14-24(26)31-23-13-20(11-12-21(22)23)29-16-25(27)30-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3	C25H20O6	416.423	6	0	71.06	4	8	1	-0.412800000000001	4.38057	3.55	6.393	39.8159	117.369	3.0329	379.934095338035
Cond-000907	NPD1031	NPD1031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9704873027	CC(C)Oc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C22H32O7/c1-13(2)24-15-9-7-14(8-10-15)11-23-12-16-17-18(27-21(3,4)26-17)19-20(25-16)29-22(5,6)28-19/h7-10,13,16-20H,11-12H2,1-6H3/t16-,17+,18+,19-,20-/m1/s1	C22H32O7	408.485	7	0	64.61	4	6	0	-0.827499999999999	3.54819	3.11	3.504	80.9185	105.69	3.0559	382.364496468197
Cond-000908	NPD1032	NPD1032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8804263429	[C@@H]1(C2C=Cc3c(cccc3)N2[C@@H](C(=O)C)[C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(CC(C)C)cc1	InChI=1S/C32H30N2O3/c1-19(2)18-21-12-14-23(15-13-21)29(36)28-27-17-16-22-8-4-7-11-26(22)34(27)30(20(3)35)32(28)24-9-5-6-10-25(24)33-31(32)37/h4-17,19,27-28,30H,18H2,1-3H3,(H,33,37)/t27?,28-,30+,32+/m1/s1	C32H30N2O3	490.592	5	1	66.48	6	5	1	-0.4994	6.62566000000001	4.43	7.884	68.7597	148.6142	3.78250000000001	469.279451931353
Cond-000909	NPD1033	NPD1033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.4612520819	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)(C)N1C(=O)N(C2=O)c1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1	InChI=1S/C27H18F5N3O3/c1-27(2)24-15(14-8-3-4-9-16(14)33-24)11-17-25(36)34(26(37)35(17)27)12-6-5-7-13(10-12)38-23-21(31)19(29)18(28)20(30)22(23)32/h3-10,17,33H,11H2,1-2H3/t17-/m0/s1	C27H18F5N3O3	527.442	6	1	65.64	6	3	1	1.5722	6.49236000000001	3.22	6.112	46.1219	132.32	3.3093	415.870541962517
Cond-000910	NPD1034	NPD1034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3706611179	COc1ccc(cc1)C(=O)N/C(=C/c1ccc(OC)c(OC)c1)/C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C29H29N3O5/c1-35-22-11-9-20(10-12-22)28(33)32-25(16-19-8-13-26(36-2)27(17-19)37-3)29(34)30-15-14-21-18-31-24-7-5-4-6-23(21)24/h4-13,16-18,31H,14-15H2,1-3H3,(H,30,34)(H,32,33)/b25-16+	C29H29N3O5	499.558	8	3	101.68	4	12	2	-1.5572	4.03247000000001	3.77	5.075	58.9407	146.4284	3.79420000000001	459.781629064642
Cond-000911	NPD1035	NPD1035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.284439651	CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)Nc1cc(Cl)c(F)cc1	InChI=1S/C18H21ClFNO6/c1-17(2)24-11-12(25-17)14-16(27-18(3,4)26-14)23-13(11)15(22)21-8-5-6-10(20)9(19)7-8/h5-7,11-14,16H,1-4H3,(H,21,22)/t11-,12+,13+,14-,16-/m1/s1	C18H21ClFNO6	401.814	7	1	75.25	4	3	0	-0.1122	3.64808	2.45	2.605	66.9151	96.0487	2.6305	334.029259392275
Cond-000912	NPD1036	NPD1036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3170919225	CCOC(=O)c1c(oc2c1cc(OC(=O)c1c(OC)cccc1)cc2)c1ccc(OC)cc1	InChI=1S/C26H22O7/c1-4-31-26(28)23-20-15-18(32-25(27)19-7-5-6-8-21(19)30-3)13-14-22(20)33-24(23)16-9-11-17(29-2)12-10-16/h5-15H,4H2,1-3H3	C26H22O7	446.449	7	0	84.2	4	9	1	-0.0871999999999999	5.95657	3.55	6.532	38.8246	130.2405	3.2325	395.120306664463
Cond-000913	NPD1037	NPD1037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0266685887	COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=C)C)cc12	InChI=1S/C17H19BrO5/c1-10(2)9-22-15-7-12-14(8-13(15)18)23-11(3)16(12)17(19)21-6-5-20-4/h7-8H,1,5-6,9H2,2-4H3	C17H19BrO5	383.234	5	0	57.9	2	8	0	2.0659	3.80209	2.67	2.756	59.7431	94.936	2.4972	303.491280214507
Cond-000914	NPD1038	NPD1038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.700824237	COc1ccc(cc1)C(=O)COc1ccc2c(oc(=O)c3c2ccc(OC)c3)c1C	InChI=1S/C24H20O6/c1-14-22(29-13-21(25)15-4-6-16(27-2)7-5-15)11-10-19-18-9-8-17(28-3)12-20(18)24(26)30-23(14)19/h4-12H,13H2,1-3H3	C24H20O6	404.412	6	0	71.06	4	6	0	-0.1724	5.2662	3.44	4.394	37.9525	118.1415	2.935	365.274569412969
Cond-000915	NPD1039	NPD1039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9519530881	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1ccco1)ncc2	InChI=1S/C25H24N2O6/c1-29-21-11-15-7-8-26-19(17(15)13-23(21)31-3)10-16-12-22(30-2)24(32-4)14-18(16)27-25(28)20-6-5-9-33-20/h5-9,11-14H,10H2,1-4H3,(H,27,28)	C25H24N2O6	448.468	8	1	92.05	4	9	0	-0.674899999999999	5.54608	3.33	3.332	43.0784	127.4107	3.2755	393.664074455169
Cond-000916	NPD104	NPD104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8403539474	CCOc1cc(c/c(=N\c2cc(OC)ccc2)/c2c(C)oc(C)c12)c1cc2c(OCO2)cc1	InChI=1S/C27H25NO5/c1-5-30-25-13-19(18-9-10-23-24(12-18)32-15-31-23)11-22(26-16(2)33-17(3)27(25)26)28-20-7-6-8-21(14-20)29-4/h6-14H,5,15H2,1-4H3/b28-22+	C27H25NO5	443.491	6	0	62.42	5	5	1	0.649899999999997	5.73691000000001	3.77	5.633	64.7544	128.771	3.2902	407.012598097375
Cond-000917	NPD1040	NPD1040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.294244534	CCOc1ccc(COC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)cc1	InChI=1S/C27H38O7/c1-2-29-20-11-9-19(10-12-20)17-28-18-21-22-23(32-26(31-22)13-5-3-6-14-26)24-25(30-21)34-27(33-24)15-7-4-8-16-27/h9-12,21-25H,2-8,13-18H2,1H3/t21-,22+,23+,24-,25-/m1/s1	C27H38O7	474.586	7	0	64.61	6	6	0	-3.6122	5.00829000000001	3.66	4.934	81.2349	124.569	3.5432	444.131502195931
Cond-000918	NPD1041	NPD1041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.901518912	CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)ccc12	InChI=1S/C25H24N2O6/c1-2-5-15-11-24(29)33-22-12-17(8-9-19(15)22)32-14-23(28)27-21(25(30)31)10-16-13-26-20-7-4-3-6-18(16)20/h3-4,6-9,11-13,21,26H,2,5,10,14H2,1H3,(H,27,28)(H,30,31)/t21-/m0/s1	C25H24N2O6	448.468	8	3	117.72	4	10	0	-1.8455	3.93656	3.33	4.09	61.3209	127.7415	3.2755	404.564074455169
Cond-000919	NPD1042	NPD1042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.9181886415	CCC(=O)N(CCC(c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccco1	InChI=1S/C27H33NO4/c1-5-27(29)28(19-23-9-8-18-31-23)17-16-24(25-10-6-7-11-26(25)30-4)21-12-14-22(15-13-21)32-20(2)3/h6-15,18,20,24H,5,16-17,19H2,1-4H3	C27H33NO4	435.555	5	0	51.91	3	12	2	-1.2522	6.45019000000001	3.88	6.544	59.7544	132.392	3.5347	428.208206200014
Cond-000920	NPD1043	NPD1043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5733096612	[C@H]12CCCCN1CCC[C@H]2COC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC	InChI=1S/C30H49NO3/c1-7-29(3,4)24-16-17-27(25(21-24)30(5,6)8-2)33-20-12-15-28(32)34-22-23-13-11-19-31-18-10-9-14-26(23)31/h16-17,21,23,26H,7-15,18-20,22H2,1-6H3/t23-,26+/m0/s1	C30H49NO3	471.715	4	0	38.77	3	12	2	0.750500000000004	7.76318000000001	4.32	9.213	107.3677	146.004	4.1137	506.288226881053
Cond-000921	NPD1044	NPD1044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.641516926	OC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C24H23NO6/c26-22(25-20(23(27)28)12-15-6-2-1-3-7-15)14-30-16-10-11-18-17-8-4-5-9-19(17)24(29)31-21(18)13-16/h1-3,6-7,10-11,13,20H,4-5,8-9,12,14H2,(H,25,26)(H,27,28)/t20-/m0/s1	C24H23NO6	421.443	7	2	101.93	4	8	1	-1.7909	3.85878000000001	3.33	5.227	58.7542	117.9765	3.0778	389.807788321935
Cond-000922	NPD1045	NPD1045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.901518912	OC(=O)CCCNC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C19H21NO6/c21-17(20-9-3-6-18(22)23)11-25-12-7-8-14-13-4-1-2-5-15(13)19(24)26-16(14)10-12/h7-8,10H,1-6,9,11H2,(H,20,21)(H,22,23)	C19H21NO6	359.373	7	2	101.93	3	8	0	-1.9378	3.02768	2.78	1.952	62.739	98.1435	2.6109	334.493699995802
Cond-000923	NPD1046	NPD1046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.36180749	CCC(=C1C(=O)CC(C)(C)CC1=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C21H29NO4/c1-6-15(20-16(23)12-21(2,3)13-17(20)24)22-10-9-14-7-8-18(25-4)19(11-14)26-5/h7-8,11,22H,6,9-10,12-13H2,1-5H3	C21H29NO4	359.459	5	1	64.63	2	7	0	-0.211899999999999	3.61828000000001	3.22	3.998	77.7472	104.5717	2.9269	366.498133248013
Cond-000924	NPD1047	NPD1047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.6292219164	COc1ccccc1C(CCN(Cc1ccco1)C(=O)C)c1ccc(OC(C)C)cc1	InChI=1S/C26H31NO4/c1-19(2)31-22-13-11-21(12-14-22)24(25-9-5-6-10-26(25)29-4)15-16-27(20(3)28)18-23-8-7-17-30-23/h5-14,17,19,24H,15-16,18H2,1-4H3	C26H31NO4	421.529	5	0	51.91	3	11	2	-1.3284	6.06009000000001	3.77	6.291	54.7309	127.775	3.3938	410.912221574147
Cond-000925	NPD1048	NPD1048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.5138560484	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NCc5ccccn5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H39N3O4/c1-19(33)29(35)14-11-25-23-8-7-20-16-21(9-12-27(20,2)24(23)10-13-28(25,29)3)32-36-18-26(34)31-17-22-6-4-5-15-30-22/h4-6,15-16,23-25,35H,7-14,17-18H2,1-3H3,(H,31,34)/b32-21-/t23?,24?,25?,27-,28-,29-/m0/s1	C29H39N3O4	493.638	7	2	100.88	5	7	0	-0.504200000000004	4.78347000000001	3.88	4.309	112.7457	142.4865	3.8849	487.153695868081
Cond-000926	NPD1049	NPD1049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4001552905	[C@@H]1(C2C=Cc3c(cccc3)N2[C@@H](C(=O)C)[C@]21C(=O)Nc1c2cccc1)C(=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C31H28N2O6/c1-17(34)29-31(20-10-6-7-11-21(20)32-30(31)36)26(23-14-13-18-9-5-8-12-22(18)33(23)29)27(35)19-15-24(37-2)28(39-4)25(16-19)38-3/h5-16,23,26,29H,1-4H3,(H,32,36)/t23?,26-,29+,31+/m1/s1	C31H28N2O6	524.564	8	1	94.17	6	6	0	-1.5489	5.45296	3.99	3.95	71.6847	149.7282	3.81770000000001	478.354147407169
Cond-000927	NPD105	NPD105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2087389408	Oc1c(cccc1)n1c(=O)c2c(cccc2)nc1/C=C/c1cc2c(OCO2)cc1	InChI=1S/C23H16N2O4/c26-19-8-4-3-7-18(19)25-22(24-17-6-2-1-5-16(17)23(25)27)12-10-15-9-11-20-21(13-15)29-14-28-20/h1-13,26H,14H2/b12-10+	C23H16N2O4	384.384	6	1	71.36	5	3	1	-1.002	5.23595	3.33	5.085	33.9203	115.3118	2.7247	337.398734400713
Cond-000928	NPD1050	NPD1050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7996336724	COC(=O)c1ccc(COc2ccc3c(oc(=O)c4c3ccc(OC)c4)c2C)cc1	InChI=1S/C24H20O6/c1-14-21(29-13-15-4-6-16(7-5-15)23(25)28-3)11-10-19-18-9-8-17(27-2)12-20(18)24(26)30-22(14)19/h4-12H,13H2,1-3H3	C24H20O6	404.412	6	0	71.06	4	6	0	0.3678	5.022	3.44	4.911	37.4293	116.6795	2.935	365.274569412969
Cond-000929	NPD1051	NPD1051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1523712012	COc1cc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC	InChI=1S/C28H34N4O6S/c1-29-25(34)28(26(35)30(2)27(29)39,12-17-10-21(36-3)24(38-5)22(11-17)37-4)16-31-13-18-9-19(15-31)20-7-6-8-23(33)32(20)14-18/h6-8,10-11,18-19H,9,12-16H2,1-5H3/t18-,19+/m1/s1	C28H34N4O6S	554.658	10	0	123.95	5	7	0	-0.582900000000004	1.77687	3.33	0.063	127.9279	150.049	4.0387	511.671031507503
Cond-000930	NPD1052	NPD1052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.0886219616	COC(=O)C(Cc1ccc(O)c(c1)N(=O)=O)NC(=O)CO/N=C\1/CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1	InChI=1S/C33H41N3O8/c1-5-33(40)15-12-25-23-8-7-21-18-22(10-13-31(21,2)24(23)11-14-32(25,33)3)35-44-19-29(38)34-26(30(39)43-4)16-20-6-9-28(37)27(17-20)36(41)42/h1,6,9,17-18,23-26,37,40H,7-8,10-16,19H2,2-4H3,(H,34,38)/b35-22-/t23?,24?,25?,26?,31-,32-,33+/m0/s1	C33H41N3O8	607.694	11	3	160.59	5	10	1	0.619300000000002	4.81935000000001	3.88	5.887	131.6585	170.0635	4.5543	583.58916507139
Cond-000931	NPD1053	NPD1053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.7638003726	CC(C)COc1c(NC(=O)[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)cccc1	InChI=1S/C28H39NO7/c1-18(2)17-31-20-12-6-5-11-19(20)29-25(30)23-21-22(34-27(33-21)13-7-3-8-14-27)24-26(32-23)36-28(35-24)15-9-4-10-16-28/h5-6,11-12,18,21-24,26H,3-4,7-10,13-17H2,1-2H3,(H,29,30)/t21-,22+,23+,24-,26-/m1/s1	C28H39NO7	501.612	8	1	84.48	6	6	1	-3.991	5.73898000000001	3.66	5.074	86.5473	134.8877	3.7409	469.787788329164
Cond-000932	NPD1054	NPD1054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.4674170056	COC(=O)C(Cc1cc(c(O)cc1)N(=O)=O)NC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C33H42N2O9/c1-32-14-12-21(36)18-20(32)5-6-22-23-7-9-28(33(23,2)15-13-24(22)32)44-30(39)11-10-29(38)34-25(31(40)43-3)16-19-4-8-27(37)26(17-19)35(41)42/h4,8,17-18,22-25,28,37H,5-7,9-16H2,1-3H3,(H,34,38)/t22?,23?,24?,25?,28?,32-,33-/m0/s1	C33H42N2O9	610.695	11	2	162.14	5	12	2	0.181800000000002	5.11427000000001	3.88	5.756	128.8363	165.5017	4.5562	584.019090264585
Cond-000933	NPD1056	NPD1056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9717163698	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCc3cc(ccc3)C(F)(F)F)ccc12	InChI=1S/C25H19F3O4/c1-15-22(31-14-16-4-3-5-18(12-16)25(26,27)28)11-10-20-21(13-23(29)32-24(15)20)17-6-8-19(30-2)9-7-17/h3-13H,14H2,1-2H3	C25H19F3O4	440.411	4	0	44.76	4	6	1	1.6202	6.09859000000001	3.44	7.494	40.8989	116.601	3.0116	383.192777188632
Cond-000934	NPD1057	NPD1057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6320278031	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCCCC	InChI=1S/C27H42O3/c1-5-6-7-8-25(29)30-20-13-15-26(3)19(17-20)9-10-21-23-12-11-22(18(2)28)27(23,4)16-14-24(21)26/h11,19-21,23-24H,5-10,12-17H2,1-4H3/t19-,20?,21?,23?,24?,26-,27+/m0/s1	C27H42O3	414.621	3	0	43.37	4	7	1	-0.115899999999999	6.80658000000001	4.1	8.269	113.0528	122.869	3.5256	444.583512795286
Cond-000935	NPD1058	NPD1058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5579184388	COc1ccccc1C(CC(=O)N1CCOCC1)c1ccc(OC(C)C)cc1	InChI=1S/C23H29NO4/c1-17(2)28-19-10-8-18(9-11-19)21(20-6-4-5-7-22(20)26-3)16-23(25)24-12-14-27-15-13-24/h4-11,17,21H,12-16H2,1-3H3	C23H29NO4	383.481	5	0	48	3	8	0	-0.9923	4.63589000000001	3.44	4.481	60.3685	113.702	3.0571	375.197185098147
Cond-000936	NPD1059	NPD1059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9860380695	CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2c(CCN(C)C(=O)c3ccccc3)cc3OCOc3c2OC)/C1=O	InChI=1S/C31H29N3O7/c1-4-19-10-12-22(13-11-19)34-30(37)24(28(35)32-31(34)38)17-23-21(16-25-27(26(23)39-3)41-18-40-25)14-15-33(2)29(36)20-8-6-5-7-9-20/h5-13,16-17H,4,14-15,18H2,1-3H3,(H,32,35,38)/b24-17-	C31H29N3O7	555.578	10	1	114.48	5	9	1	-0.915399999999999	5.04646000000001	3.77	6.028	76.3647	155.7112	4.0418	507.861134315897
Cond-000937	NPD106	NPD106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0145473878	CCCCCc1ccc(cc1)c1coc2c1cc1c(CCC)cc(=O)oc1c2	InChI=1S/C25H26O3/c1-3-5-6-8-17-9-11-18(12-10-17)22-16-27-23-15-24-20(14-21(22)23)19(7-4-2)13-25(26)28-24/h9-16H,3-8H2,1-2H3	C25H26O3	374.472	3	0	39.44	4	7	1	-1.0043	7.53537000000001	3.88	8.847	50.1088	118.525	2.9858	361.472791338752
Cond-000938	NPD1060	NPD1060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5135510771	[C@@H](Cc1ccccc1)(NC(=O)C(C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O	InChI=1S/C23H23NO6/c1-3-16-12-21(25)30-20-13-17(9-10-18(16)20)29-14(2)22(26)24-19(23(27)28)11-15-7-5-4-6-8-15/h4-10,12-14,19H,3,11H2,1-2H3,(H,24,26)(H,27,28)/t14?,19-/m0/s1	C23H23NO6	409.432	7	2	101.93	3	9	1	-0.847900000000001	3.53037	3.22	5.448	59.3552	114.3895	3.0455	384.868262396869
Cond-000939	NPD1061	NPD1061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.549774282	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(Br)cc1	InChI=1S/C29H24BrN3O7/c1-32(27(35)17-6-4-3-5-7-17)13-12-18-14-23-25(40-16-39-23)24(38-2)21(18)15-22-26(34)31-29(37)33(28(22)36)20-10-8-19(30)9-11-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,31,34,37)/b22-15-	C29H24BrN3O7	606.421	10	1	114.48	5	8	1	-0.3335	5.24656	3.44	5.359	74.6133	154.0332	3.935	492.55278404173
Cond-000940	NPD1062	NPD1062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6881937437	COc1cc(OC)c(cc1)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)C)O	InChI=1S/C20H25NO7/c1-12(22)17-18(14-9-8-13(27-2)11-15(14)28-3)21(20(26)19(17)25)10-6-4-5-7-16(23)24/h8-9,11,18,25H,4-7,10H2,1-3H3,(H,23,24)	C20H25NO7	391.415	8	2	113.37	2	10	0	-2.391	3.00768	2.78	2.302	72.1609	104.9616	2.9191	372.93637002303
Cond-000941	NPD1063	NPD1063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8890997363	CCCC(=O)N1C[C@]2(CN(C[C@](C1)(C(C)C)C2=O)C(=O)CCC)C(C)C	InChI=1S/C21H36N2O3/c1-7-9-17(24)22-11-20(15(3)4)13-23(18(25)10-8-2)14-21(12-22,16(5)6)19(20)26/h15-16H,7-14H2,1-6H3/t20-,21+	C21H36N2O3	364.522	5	0	57.69	2	8	0	-1.4846	3.35879	3.22	2.649	99.5734	105.768	3.097	387.514042858019
Cond-000942	NPD1064	NPD1064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2203658026	Clc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2ccccc2)cc1	InChI=1S/C29H27ClN4O4/c30-22-11-9-19(10-12-22)14-29(26(36)31-28(38)34(27(29)37)23-5-2-1-3-6-23)18-32-15-20-13-21(17-32)24-7-4-8-25(35)33(24)16-20/h1-12,20-21H,13-18H2,(H,31,36,38)/t20-,21+,29?/m1/s1	C29H27ClN4O4	531.002	8	1	90.03	6	5	0	-0.786899999999999	3.99926	3.66	3.852	92.2118	145.1557	3.7835	476.922771641881
Cond-000943	NPD1065	NPD1065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1756176667	COc1c(cccc1)c1coc2cc(OCc3ccccc3Cl)ccc2c1=O	InChI=1S/C23H17ClO4/c1-26-21-9-5-3-7-17(21)19-14-28-22-12-16(10-11-18(22)23(19)25)27-13-15-6-2-4-8-20(15)24/h2-12,14H,13H2,1H3	C23H17ClO4	392.832	4	0	44.76	4	5	1	-0.1167	5.49077	3.44	6.306	34.568	111.42	2.7991	345.609199156413
Cond-000944	NPD1066	NPD1066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2696950666	COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	InChI=1S/C27H32N4O6/c1-28-24(33)27(25(34)29(2)26(28)35,12-18-8-9-20(36-3)11-22(18)37-4)16-30-13-17-10-19(15-30)21-6-5-7-23(32)31(21)14-17/h5-9,11,17,19H,10,12-16H2,1-4H3/t17-,19+/m0/s1	C27H32N4O6	508.566	10	0	99.7	5	6	0	-1.4302	1.60337	3.33	0.256	112.6212	136.295	3.7343	475.866022824036
Cond-000945	NPD1067	NPD1067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3367757542	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(C(=O)O)c1ccccc1	InChI=1S/C33H39NO9/c1-31-14-12-21(35)16-20(31)8-9-22-23-13-15-33(42,32(23,2)17-24(36)28(22)31)25(37)18-43-27(39)11-10-26(38)34-29(30(40)41)19-6-4-3-5-7-19/h3-7,16,22-23,28-29,42H,8-15,17-18H2,1-2H3,(H,34,38)(H,40,41)/t22?,23?,28?,29?,31-,32-,33-/m0/s1	C33H39NO9	593.664	10	3	164.14	5	11	1	-1.6056	3.08198000000001	3.99	2.004	126.2918	154.4063	4.4134	570.385871355619
Cond-000946	NPD1068	NPD1068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.4961318533	COC(=O)C(Cc1ccc(O)cc1)NC(=O)CO/N=C/1\C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(C)O)C3CCC2=C1	InChI=1S/C32H42N2O6/c1-30-14-11-22(18-21(30)7-10-24-25(30)12-15-31(2)26(24)13-16-32(31,3)38)34-40-19-28(36)33-27(29(37)39-4)17-20-5-8-23(35)9-6-20/h5-6,8-9,11,14,18,24-27,35,38H,7,10,12-13,15-17,19H2,1-4H3,(H,33,36)/b34-22+/t24?,25?,26?,27?,30-,31-,32-/m0/s1	C32H42N2O6	550.686	8	3	117.45	5	9	1	-0.102299999999998	4.69086000000001	4.1	6.006	126.5657	156.2383	4.2822	542.988884237836
Cond-000947	NPD1069	NPD1069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6736166054	[C@H]1(CCCN1C)c1cccnc1n1c(=O)c2c(cccc2)nc1c1ccco1	InChI=1S/C22H20N4O2/c1-25-13-5-10-18(25)16-8-4-12-23-20(16)26-21(19-11-6-14-28-19)24-17-9-3-2-7-15(17)22(26)27/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3/t18-/m0/s1	C22H20N4O2	372.42	6	0	61.94	5	3	0	-1.2535	4.28678	3.22	4.203	37.7872	110.747	2.752	329.788734191658
Cond-000948	NPD107	NPD107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.983199144	[C@H]1(NCCC21C(=O)N(Cc1ccccc1)c1c2cccc1)c1ccc(OC)cc1	InChI=1S/C25H24N2O2/c1-29-20-13-11-19(12-14-20)23-25(15-16-26-23)21-9-5-6-10-22(21)27(24(25)28)17-18-7-3-2-4-8-18/h2-14,23,26H,15-17H2,1H3/t23-,25?/m0/s1	C25H24N2O2	384.47	4	1	41.57	5	4	1	-1.2484	4.29478	3.77	5.89	37.9519	116.2397	2.9751	359.683167652924
Cond-000949	NPD1070	NPD1070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.364324271	COc1cc2c(cc1OC)c1c([nH]2)c(=O)n(Cc2cc3c(OCO3)cc2)cn1	InChI=1S/C20H17N3O5/c1-25-15-6-12-13(7-16(15)26-2)22-19-18(12)21-9-23(20(19)24)8-11-3-4-14-17(5-11)28-10-27-14/h3-7,9,22H,8,10H2,1-2H3	C20H17N3O5	379.366	8	1	85.38	5	4	0	-1.4841	3.18026	2.78	2.198	45.1084	108.608	2.5895	313.207143534241
Cond-000950	NPD1071	NPD1071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0613827674	COc1c2C(C#CCOc3ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3)[NH+](C)CCc2cc2c1OCO2	InChI=1S/C28H27N3O7/c1-29-12-11-18-15-22-24(38-16-37-22)25(35-4)23(18)21(29)6-5-13-36-19-9-7-17(8-10-19)14-20-26(32)30(2)28(34)31(3)27(20)33/h7-10,14-15,21H,11-13,16H2,1-4H3/p+1	C28H28N3O7+	518.538	10	1	99.05	5	4	0	-1.4293	1.89796	3.44	2.304	88.2587	141.0877	3.7266	473.464327190297
Cond-000951	NPD1072	NPD1072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.5156387881	COc1ccc(cc1)C(=O)/C(=C\c1cc(OC)c(OC)cc1OC)/c1nc2ccccc2o1	InChI=1S/C26H23NO6/c1-29-18-11-9-16(10-12-18)25(28)19(26-27-20-7-5-6-8-21(20)33-26)13-17-14-23(31-3)24(32-4)15-22(17)30-2/h5-15H,1-4H3/b19-13+	C26H23NO6	445.464	7	0	80.02	4	8	0	-0.3529	5.36767	3.55	4.724	45.3268	127.511	3.2736	397.326840172069
Cond-000952	NPD1073	NPD1073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.974001857	CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)cc2oc1=O	InChI=1S/C24H24O7/c1-4-29-23(26)12-11-20-15(2)19-10-9-18(13-22(19)31-24(20)27)30-14-21(25)16-5-7-17(28-3)8-6-16/h5-10,13H,4,11-12,14H2,1-3H3	C24H24O7	424.443	7	0	88.13	3	10	0	0.314799999999998	4.54467000000001	3.33	3.724	64.2119	117.5995	3.1453	399.95771351513
Cond-000953	NPD1074	NPD1074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4676853587	CSCCC(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)C(=O)O	InChI=1S/C17H16N2O3S3/c1-24-7-6-13(16(21)22)19-15(20)14(25-17(19)23)8-10-9-18-12-5-3-2-4-11(10)12/h2-5,8-9,13,18H,6-7H2,1H3,(H,21,22)/b14-8-	C17H16N2O3S3	392.516	5	2	156.09	3	6	0	0.869999999999998	3.54987	2.45	3.126	72.7709	111.3878	2.7003	326.518424322551
Cond-000954	NPD1075	NPD1075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8769746408	COc1ccc(cc1)C(CCN(CC1CCOC(C)(C)C1)C(=O)C)c1ccccc1	InChI=1S/C26H35NO3/c1-20(28)27(19-21-15-17-30-26(2,3)18-21)16-14-25(22-8-6-5-7-9-22)23-10-12-24(29-4)13-11-23/h5-13,21,25H,14-19H2,1-4H3	C26H35NO3	409.561	4	0	38.77	3	9	1	-1.1525	5.48809000000001	3.88	7.45	66.9765	123.221	3.4211	418.294912275186
Cond-000955	NPD1077	NPD1077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0938462676	COc1ccccc1C(CC(=O)NC1CCOC(C)(C)C1)c1ccc(OC(C)C)cc1	InChI=1S/C26H35NO4/c1-18(2)31-21-12-10-19(11-13-21)23(22-8-6-7-9-24(22)29-5)16-25(28)27-20-14-15-30-26(3,4)17-20/h6-13,18,20,23H,14-17H2,1-5H3,(H,27,28)	C26H35NO4	425.56	5	1	56.79	3	9	1	-0.515800000000002	5.85089000000001	3.77	5.969	70.7612	127.4987	3.4798	427.085138975747
Cond-000956	NPD1078	NPD1078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5937092332	[C@H]12[C@H](N3N=Cc4c(cccc4)[C@@H]3[C@H]1C(=O)N(C2=O)c1ccc(OC)cc1OC)C(=O)OCC	InChI=1S/C24H23N3O6/c1-4-33-24(30)21-19-18(20-15-8-6-5-7-13(15)12-25-27(20)21)22(28)26(23(19)29)16-10-9-14(31-2)11-17(16)32-3/h5-12,18-21H,4H2,1-3H3/t18-,19+,20+,21-/m0/s1	C24H23N3O6	449.456	9	0	97.74	5	6	0	-1.1182	3.02008	3.11	3.241	67.7097	122.615	3.1688	399.444850037469
Cond-000957	NPD1079	NPD1079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2362175617	COc1ccc(CNCCC(c2ccc(OC)cc2)c2c(OC)cccc2)cc1	InChI=1S/C25H29NO3/c1-27-21-12-8-19(9-13-21)18-26-17-16-23(20-10-14-22(28-2)15-11-20)24-6-4-5-7-25(24)29-3/h4-15,23,26H,16-18H2,1-3H3	C25H29NO3	391.503	4	1	39.72	3	10	1	-0.9715	5.72429000000001	3.77	6.329	41.3631	119.8537	3.1942	384.826010247719
Cond-000958	NPD108	NPD108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.652161772	CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3c2cccc3)C(=C(N)O1)C(=O)OCc1ccccc1	InChI=1S/C26H26N2O6/c1-3-10-19-20(23(29)32-4-2)26(17-13-8-9-14-18(17)28-25(26)31)21(22(27)34-19)24(30)33-15-16-11-6-5-7-12-16/h5-9,11-14H,3-4,10,15,27H2,1-2H3,(H,28,31)/t26-/m0/s1	C26H26N2O6	462.494	8	3	116.95	4	9	1	-1.6007	3.78456000000001	3.44	6.237	72.0169	126.0431	3.4164	432.760059081036
Cond-000959	NPD1080	NPD1080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5940058552	COc1ccc(cc1)c1cc(=O)oc2cc3c(cc12)c(co3)c1ccc(Br)cc1	InChI=1S/C24H15BrO4/c1-27-17-8-4-14(5-9-17)18-11-24(26)29-23-12-22-20(10-19(18)23)21(13-28-22)15-2-6-16(25)7-3-15/h2-13H,1H3	C24H15BrO4	447.277	4	0	48.67	5	3	1	0.7573	6.82197	3.55	6.263	32.8491	120.184	2.841	341.084817587813
Cond-000960	NPD1081	NPD1081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.361875931	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccco3)cc2o1)c1ccc(OC)cc1	InChI=1S/C24H18O8/c1-3-29-24(27)22-20(14-6-8-15(28-2)9-7-14)21(25)17-11-10-16(13-19(17)32-22)31-23(26)18-5-4-12-30-18/h4-13H,3H2,1-2H3	C24H18O8	434.395	8	0	101.27	4	8	0	-0.6279	4.84416	3.22	4.829	46.9001	117.6955	3.0094	380.218564113291
Cond-000961	NPD1082	NPD1082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.0777953967	CCOC(=O)C(Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1)c1ccccc1	InChI=1S/C23H24O7/c1-4-27-23(25)21(16-8-6-5-7-9-16)30-17-10-11-19-18(14-17)20(15(2)29-19)22(24)28-13-12-26-3/h5-11,14,21H,4,12-13H2,1-3H3	C23H24O7	412.432	7	0	84.2	3	11	1	0.116100000000001	3.5006	3.22	4.993	51.6076	112.863	3.0474	374.398187590063
Cond-000962	NPD1084	NPD1084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.066774778	C1(CO)OC(n2c(NCc3ccccc3)nc3c2ncnc3O)C(O)C1O	InChI=1S/C17H19N5O5/c23-7-10-12(24)13(25)16(27-10)22-14-11(15(26)20-8-19-14)21-17(22)18-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,23-25H,6-7H2,(H,18,21)(H,19,20,26)	C17H19N5O5	373.363	10	5	145.78	4	5	0	-2.3983	0.715770000000002	2.23	1.021	40.8711	98.0401	2.561	300.942086175374
Cond-000963	NPD1085	NPD1085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.4677103718	CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O	InChI=1S/C34H52O6/c1-29(2)16-18-34-19-17-32(6)20(26(34)27(29)40-28(34)38)8-9-22-31(5)14-13-23(39-25(37)11-10-24(35)36)30(3,4)21(31)12-15-33(22,32)7/h20-23,26-27H,8-19H2,1-7H3,(H,35,36)/t20?,21?,22?,23?,26?,27?,31-,32+,33+,34?/m0/s1	C34H52O6	556.773	6	1	89.9	6	5	1	2.3448	7.41379000000001	4.54	8.955	150.0992	154.3188	4.4708	567.313167876435
Cond-000964	NPD1086	NPD1086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.2439329497	COc1ccccc1C(CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC(C)C)cc1	InChI=1S/C26H31NO4S/c1-19(2)31-22-13-11-21(12-14-22)24(25-7-5-6-8-26(25)30-4)17-18-27-32(28,29)23-15-9-20(3)10-16-23/h5-16,19,24,27H,17-18H2,1-4H3	C26H31NO4S	453.594	5	1	73.01	3	10	1	-0.855499999999999	6.06361000000001	3.66	7.361	52.1774	124.0267	3.5573	429.421245631747
Cond-000965	NPD1087	NPD1087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.253615876	COc1ccc(C2N(Cc3cnccc3)C(=O)C(=O)/C/2=C(\C)/O)c(OC)c1	InChI=1S/C20H20N2O5/c1-12(23)17-18(15-7-6-14(26-2)9-16(15)27-3)22(20(25)19(17)24)11-13-5-4-8-21-10-13/h4-10,18,23H,11H2,1-3H3/b17-12+	C20H20N2O5	368.383	7	1	88.96	3	5	0	-0.892400000000002	2.61838	2.89	2.098	51.9657	101.1758	2.7069	337.823300727674
Cond-000966	NPD1088	NPD1088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.72591418	COc1cc(OC)c(cc1)C1=NN2C(C1)c1c(OC32CCOC(C)(C)C3)ccc(Br)c1	InChI=1S/C24H27BrN2O4/c1-23(2)14-24(9-10-30-23)27-20(18-11-15(25)5-8-21(18)31-24)13-19(26-27)17-7-6-16(28-3)12-22(17)29-4/h5-8,11-12,20H,9-10,13-14H2,1-4H3	C24H27BrN2O4	487.386	6	0	52.52	5	3	1	0.962299999999999	5.90949000000001	3.33	5.174	72.0613	124.999	3.2556	398.060631508147
Cond-000967	NPD1089	NPD1089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.3087790111	COc1ccc(cc1OC)C(=O)Oc1c(/C=C/C(=O)c2ccccc2)cccc1	InChI=1S/C24H20O5/c1-27-22-15-13-19(16-23(22)28-2)24(26)29-21-11-7-6-10-18(21)12-14-20(25)17-8-4-3-5-9-17/h3-16H,1-2H3/b14-12+	C24H20O5	388.413	5	0	61.83	3	8	1	-0.0974	5.10557	3.55	6.859	36.5128	114.7735	2.9419	366.204342712407
Cond-000968	NPD109	NPD109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.6922692019	CCC(=O)N(CCC(C1CCOC(C)(C)C1)c1ccccc1)Cc1ccc(OC)cc1	InChI=1S/C27H37NO3/c1-5-26(29)28(20-21-11-13-24(30-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-31-27(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3	C27H37NO3	423.588	4	0	38.77	3	10	1	-0.979700000000001	5.70729000000001	3.99	7.492	71.7932	127.744	3.562	435.590896901053
Cond-000969	NPD1090	NPD1090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.3302885312	COc1ccc(cc1)c1coc2c1cc1c(oc(=O)c3c1ccc(OC)c3)c2C	InChI=1S/C24H18O5/c1-13-22-19(21(12-28-22)14-4-6-15(26-2)7-5-14)11-18-17-9-8-16(27-3)10-20(17)24(25)29-23(13)18/h4-12H,1-3H3	C24H18O5	386.397	5	0	57.9	5	3	0	0.2932	5.9106	3.55	4.681	28.0445	115.639	2.7677	333.227884011607
Cond-000970	NPD1091	NPD1091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.951812871	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)cc1)ncc2	InChI=1S/C27H25ClN2O5/c1-32-23-12-17-9-10-29-22(20(17)14-25(23)34-3)11-18-13-24(33-2)26(35-4)15-21(18)30-27(31)16-5-7-19(28)8-6-16/h5-10,12-15H,11H2,1-4H3,(H,30,31)	C27H25ClN2O5	492.951	7	1	78.91	4	9	0	0.223500000000001	6.60648	3.55	4.818	47.0749	140.1547	3.578	432.040426075975
Cond-000971	NPD1094	NPD1094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1344961799	CCOc1cc2c(oc(c2C(=O)Oc2cc3c(cc2)c(=O)c(c(C)o3)c2c(OC)cccc2)c2ccccc2)cc1	InChI=1S/C34H26O7/c1-4-38-22-15-17-28-26(18-22)31(33(41-28)21-10-6-5-7-11-21)34(36)40-23-14-16-25-29(19-23)39-20(2)30(32(25)35)24-12-8-9-13-27(24)37-3/h5-19H,4H2,1-3H3	C34H26O7	546.566	7	0	84.2	6	8	1	-0.2514	8.49435	4.43	8.894	47.96	163.8945	3.97050000000001	487.329431466597
Cond-000972	NPD1095	NPD1095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3226571767	C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1(CCOC(C)(C)C1)c1ccccc1	InChI=1S/C40H53NO8/c1-36(2)25-39(19-21-49-36,26-8-6-5-7-9-26)18-20-41-33(45)12-13-34(46)48-24-32(44)40(47)17-15-30-29-11-10-27-22-28(42)14-16-37(27,3)35(29)31(43)23-38(30,40)4/h5-9,14,16,22,29-31,35,43,47H,10-13,15,17-21,23-25H2,1-4H3,(H,41,45)/t29?,30?,31-,35?,37-,38-,39?,40-/m0/s1	C40H53NO8	675.851	9	3	139.23	6	12	2	-0.1279	5.00827000000001	4.87	5.788	158.5528	185.8703	5.27540000000001	672.947537036122
Cond-000973	NPD1096	NPD1096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1980542043	[C@H]12Cc3c(CN1C(=O)CN(CCc1ccc(OC)c(OC)c1)C2=O)cccc3	InChI=1S/C22H24N2O4/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-14-21(25)24-13-17-6-4-3-5-16(17)12-18(24)22(23)26/h3-8,11,18H,9-10,12-14H2,1-2H3/t18-/m1/s1	C22H24N2O4	380.437	6	0	59.08	4	5	0	-1.3909	1.93639	3.22	3.221	56.141	106.801	2.8644	353.905043278847
Cond-000974	NPD1097	NPD1097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7092195086	CC[C@@]1(C)CC(CCN(Cc2ccco2)C(=O)C)(CCO1)c1ccccc1	InChI=1S/C23H31NO3/c1-4-22(3)18-23(13-16-27-22,20-9-6-5-7-10-20)12-14-24(19(2)25)17-21-11-8-15-26-21/h5-11,15H,4,12-14,16-18H2,1-3H3/t22-,23?/m0/s1	C23H31NO3	369.497	4	0	42.68	3	8	1	-0.5178	4.81049000000001	3.55	6.388	63.3652	111.334	3.0414	369.043417098386
Cond-000975	NPD1098	NPD1098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.570087008	COc1cc2c(cc1OC)c1c([nH]2)c(ncn1)N1CC2(C)CC1CC(C)(C)C2	InChI=1S/C22H28N4O2/c1-21(2)8-13-9-22(3,10-21)11-26(13)20-19-18(23-12-24-20)14-6-16(27-4)17(28-5)7-15(14)25-19/h6-7,12-13,25H,8-11H2,1-5H3	C22H28N4O2	380.483	6	1	63.27	5	3	0	1.2178	5.26697000000001	3.22	3.715	65.0188	114.927	2.924	340.334568994858
Cond-000976	NPD1099	NPD1099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.2114085564	CCC(=O)N(CCC(c1ccco1)c1ccccc1)Cc1ccc(cc1)N(C)C	InChI=1S/C25H30N2O2/c1-4-25(28)27(19-20-12-14-22(15-13-20)26(2)3)17-16-23(24-11-8-18-29-24)21-9-6-5-7-10-21/h5-15,18,23H,4,16-17,19H2,1-3H3	C25H30N2O2	390.518	4	0	36.69	3	10	1	-0.784099999999998	5.18409000000001	3.77	6.781	49.7088	119.647	3.2353	387.032543755325
Cond-000977	NPD11	NPD11	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3218943034	CC1(C)CC(CCO1)C(=O)COc1c(Cl)cc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C24H23ClO5/c1-24(2)13-16(8-9-29-24)20(26)14-28-22-12-21-18(10-19(22)25)17(11-23(27)30-21)15-6-4-3-5-7-15/h3-7,10-12,16H,8-9,13-14H2,1-2H3	C24H23ClO5	426.889	5	0	61.83	4	5	1	0.280299999999998	5.39577000000001	3.44	5.917	63.9557	118.107	3.0847	387.868327884441
Cond-000978	NPD110	NPD110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7397260274	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCl	InChI=1S/C31H51ClO2/c1-4-5-6-7-8-9-11-23-14-16-27-26-15-13-24-22-25(34-29(33)12-10-21-32)17-19-31(24,3)28(26)18-20-30(23,27)2/h13,23,25-28H,4-12,14-22H2,1-3H3/t23?,25-,26?,27?,28?,30+,31-/m0/s1	C31H51ClO2	491.188	2	0	26.3	4	12	2	-0.195699999999999	9.40688	4.54	12.333	129.122	145.993	4.1959	522.824751069425
Cond-000979	NPD1100	NPD1100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.839315747	COc1ccc(OC)c(c1)C1N(Cc2cnccc2)C(=O)C(=O)/C/1=C(\C)/O	InChI=1S/C20H20N2O5/c1-12(23)17-18(15-9-14(26-2)6-7-16(15)27-3)22(20(25)19(17)24)11-13-5-4-8-21-10-13/h4-10,18,23H,11H2,1-3H3/b17-12+	C20H20N2O5	368.383	7	1	88.96	3	5	0	-0.892400000000002	2.61838	2.89	2.098	51.9657	101.1758	2.7069	337.823300727674
Cond-000980	NPD1101	NPD1101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0186439864	Brc1ccc(cc1)C(=O)NC(=S)N1C[C@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C19H18BrN3O2S/c20-15-6-4-13(5-7-15)18(25)21-19(26)22-9-12-8-14(11-22)16-2-1-3-17(24)23(16)10-12/h1-7,12,14H,8-11H2,(H,21,25,26)/t12-,14?/m1/s1	C19H18BrN3O2S	432.334	5	1	84.74	4	4	0	0.268999999999999	2.78407	2.78	2.888	83.413	109.0152	2.7626	344.126039243457
Cond-000981	NPD1102	NPD1102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0872168963	COc1ccc(cc1)C(CCNCc1ccc(cc1)N(C)C)Cc1ccccc1	InChI=1S/C26H32N2O/c1-28(2)25-13-9-22(10-14-25)20-27-18-17-24(19-21-7-5-4-6-8-21)23-11-15-26(29-3)16-12-23/h4-16,24,27H,17-20H2,1-3H3	C26H32N2O	388.545	3	1	24.5	3	10	1	-0.5041	5.42869000000001	3.99	8.44	44.8006	124.2787	3.3175	395.538301680631
Cond-000982	NPD1103	NPD1103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.235589699	COc1ccc(OCC(=O)N/N=C/2\C(=O)N(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c2cccc3)cc1	InChI=1S/C29H29N5O5/c1-38-21-9-11-22(12-10-21)39-17-26(35)30-31-28-23-5-2-3-6-25(23)34(29(28)37)18-32-14-19-13-20(16-32)24-7-4-8-27(36)33(24)15-19/h2-12,19-20H,13-18H2,1H3,(H,30,35)/b31-28-/t19-,20-/m0/s1	C29H29N5O5	527.571	10	1	103.78	6	8	0	-2.5319	3.24675	3.55	3.639	94.0538	149.2577	3.8196	481.498690780175
Cond-000983	NPD1104	NPD1104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3483447448	[C@@H]12C=Cc3c(cccc3)N1[C@H](C(=O)OCC)[C@H](C(=O)c1ccncc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C28H23N3O4/c1-2-35-26(33)24-23(25(32)18-13-15-29-16-14-18)28(19-8-4-5-9-20(19)30-27(28)34)22-12-11-17-7-3-6-10-21(17)31(22)24/h3-16,22-24H,2H2,1H3,(H,30,34)/t22-,23+,24-,28+/m0/s1	C28H23N3O4	465.5	7	1	88.6	6	5	0	-0.877999999999999	4.79626000000001	3.77	4.365	55.2491	133.8192	3.37740000000001	419.882500336614
Cond-000984	NPD1105	NPD1105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8976663285	COc1cc2c(cc1OC)[C@H](C)[NH+](CC(=O)c1c(C)[nH]c3c1cccc3)CC2	InChI=1S/C23H26N2O3/c1-14-23(17-7-5-6-8-19(17)24-14)20(26)13-25-10-9-16-11-21(27-3)22(28-4)12-18(16)15(25)2/h5-8,11-12,15,24H,9-10,13H2,1-4H3/p+1/t15-/m0/s1	C23H27N2O3+	379.472	5	2	55.76	4	5	0	-1.7259	2.20331	3.44	3.928	52.0327	112.6137	2.9681	352.829030554552
Cond-000985	NPD1106	NPD1106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7595982894	COc1ccc(C(=O)/C=C/c2c(OC)cccc2)c(OC(=O)c2ccc(OC)c(OC)c2)c1	InChI=1S/C26H24O7/c1-29-19-11-12-20(21(27)13-9-17-7-5-6-8-22(17)30-2)24(16-19)33-26(28)18-10-14-23(31-3)25(15-18)32-4/h5-16H,1-4H3/b13-9+	C26H24O7	448.465	7	0	80.29	3	10	1	-0.201	5.12277	3.55	5.338	51.1444	127.8775	3.3411	418.376765365263
Cond-000986	NPD1107	NPD1107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4804077886	O=C(Cc1ccccc1)N/N=C/1\C(=O)N(CN2CCCCC2c2cccnc2)c2c1cccc2	InChI=1S/C27H27N5O2/c33-25(17-20-9-2-1-3-10-20)29-30-26-22-12-4-5-14-24(22)32(27(26)34)19-31-16-7-6-13-23(31)21-11-8-15-28-18-21/h1-5,8-12,14-15,18,23H,6-7,13,16-17,19H2,(H,29,33)/b30-26-	C27H27N5O2	453.536	7	1	77.9	5	7	1	-2.2245	3.99347000000001	3.66	7.284	50.0121	134.8597	3.4703	421.992500127558
Cond-000987	NPD1108	NPD1108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9086488364	Brc1ccc(cc1)c1coc2c1cc1c(oc(=O)c3c1cccc3)c2	InChI=1S/C21H11BrO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H	C21H11BrO3	391.214	3	0	39.44	5	1	1	0.6436	6.62788	3.33	6.524	16.5099	106.595	2.4026	283.043095710451
Cond-000988	NPD1109	NPD1109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0219402843	CN(C)c1ccc(/C=N/NC(=O)CN2CCn3c4c(cc(C)cc4)c4c3C2CCC4)cc1	InChI=1S/C26H31N5O/c1-18-7-12-23-22(15-18)21-5-4-6-24-26(21)31(23)14-13-30(24)17-25(32)28-27-16-19-8-10-20(11-9-19)29(2)3/h7-12,15-16,24H,4-6,13-14,17H2,1-3H3,(H,28,32)/b27-16+	C26H31N5O	429.557	6	1	52.87	5	6	1	-0.5254	3.77429000000001	3.66	5.386	68.6549	133.6567	3.3997	403.815664903531
Cond-000989	NPD111	NPD111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3239633267	COc1c(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c2c(cccc2)cc1	InChI=1S/C30H32N4O4S/c1-31-27(36)30(28(37)32(2)29(31)39,14-23-22-8-5-4-7-20(22)11-12-25(23)38-3)18-33-15-19-13-21(17-33)24-9-6-10-26(35)34(24)16-19/h4-12,19,21H,13-18H2,1-3H3/t19-,21+/m0/s1	C30H32N4O4S	544.664	8	0	105.49	6	5	0	-0.4793	3.41366	3.77	3.038	113.2963	156.512	4.0085	500.153171255714
Cond-000990	NPD1110	NPD1110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.9770914891	COc1ccc(cc1)c1coc2c1cc1c(oc(=O)c3c1ccc(OC)c3)c2	InChI=1S/C23H16O5/c1-25-14-5-3-13(4-6-14)20-12-27-21-11-22-17(10-18(20)21)16-8-7-15(26-2)9-19(16)23(24)28-22/h3-12H,1-2H3	C23H16O5	372.37	5	0	57.9	5	3	0	-0.3488	5.88258	3.44	4.569	22.5424	111.999	2.6268	315.931899385741
Cond-000991	NPD1111	NPD1111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.509778616	Cc1cc(OCC(=O)NCCCCCC(=O)O)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C21H25NO6/c1-13-10-16(27-12-18(23)22-9-4-2-3-8-19(24)25)20-14-6-5-7-15(14)21(26)28-17(20)11-13/h10-11H,2-9,12H2,1H3,(H,22,23)(H,24,25)	C21H25NO6	387.426	7	2	101.93	3	10	0	-1.58379999999999	3.4458	3	2.422	71.1527	106.4005	2.8927	369.085669247535
Cond-000992	NPD1112	NPD1112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1977009354	CCn1c(=S)n(CC)c(O)c(C2N(C)CCc3cc4c(OCO4)c(OC)c23)c1=O	InChI=1S/C20H25N3O5S/c1-5-22-18(24)14(19(25)23(6-2)20(22)29)15-13-11(7-8-21(15)3)9-12-16(17(13)26-4)28-10-27-12/h9,15,24H,5-8,10H2,1-4H3	C20H25N3O5S	419.495	8	1	106.8	4	4	0	0.996300000000001	3.06667	2.67	1.911	88.2176	116.7948	2.9906	373.782002395041
Cond-000993	NPD1113	NPD1113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5105443358	Cc1c2oc(=O)c(Cc3ccccc3)c(C)c2cc2c1occ2c1ccc(Br)cc1	InChI=1S/C26H19BrO3/c1-15-20-13-22-23(18-8-10-19(27)11-9-18)14-29-24(22)16(2)25(20)30-26(28)21(15)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3	C26H19BrO3	459.331	3	0	39.44	5	3	1	2.4604	7.42589	3.88	8.258	39.9935	126.491	3.0641	366.886560138985
Cond-000994	NPD1115	NPD1115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5507640779	COC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C)c1ccccc1	InChI=1S/C34H41NO9/c1-32-15-13-22(36)17-21(32)9-10-23-24-14-16-34(42,33(24,2)18-25(37)29(23)32)26(38)19-44-28(40)12-11-27(39)35-30(31(41)43-3)20-7-5-4-6-8-20/h4-8,17,23-24,29-30,42H,9-16,18-19H2,1-3H3,(H,35,39)/t23?,24?,29?,30?,32-,33-,34-/m0/s1	C34H41NO9	607.691	10	2	153.14	5	12	1	-1.3546	3.17038000000001	4.1	2.325	131.0609	158.7865	4.5543	587.681855981485
Cond-000995	NPD1116	NPD1116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6251947992	CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(=O)NC(CC(=O)O)C1CCOC(C)(C)C1	InChI=1S/C37H53NO10/c1-22(39)48-37(16-12-28-26-7-6-24-18-25(40)10-14-35(24,4)27(26)11-15-36(28,37)5)30(41)21-46-33(45)9-8-31(42)38-29(19-32(43)44)23-13-17-47-34(2,3)20-23/h18,23,26-29H,6-17,19-21H2,1-5H3,(H,38,42)(H,43,44)/t23?,26?,27?,28?,29?,35-,36-,37-/m0/s1	C37H53NO10	671.817	11	2	162.37	5	14	2	-0.5077	5.03748000000001	4.32	3.64	170.12	176.3185	5.16470000000001	667.169412662044
Cond-000996	NPD1117	NPD1117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8433465913	CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(=O)NCCCCC(=O)O	InChI=1S/C32H45NO9/c1-20(34)42-32(26(36)19-41-29(40)10-9-27(37)33-17-5-4-6-28(38)39)16-13-25-23-8-7-21-18-22(35)11-14-30(21,2)24(23)12-15-31(25,32)3/h18,23-25H,4-17,19H2,1-3H3,(H,33,37)(H,38,39)/t23?,24?,25?,30-,31-,32-/m0/s1	C32H45NO9	587.701	10	2	153.14	4	15	1	-0.941599999999999	4.24388000000001	3.88	2.894	146.5784	153.8765	4.5101	584.255721532952
Cond-000997	NPD1118	NPD1118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5994514329	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1ccc(F)cc1)ncc2	InChI=1S/C27H25FN2O5/c1-32-23-12-17-9-10-29-22(20(17)14-25(23)34-3)11-18-13-24(33-2)26(35-4)15-21(18)30-27(31)16-5-7-19(28)8-6-16/h5-10,12-15H,11H2,1-4H3,(H,30,31)	C27H25FN2O5	476.496	7	1	78.91	4	9	0	-0.0410999999999994	6.09218	3.55	4.681	42.3318	135.1027	3.4733	422.896917155848
Cond-000998	NPD1119	NPD1119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9609821729	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NCC5CCC(CC5)C(=O)O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C31H46N2O6/c1-19(34)31(38)15-12-26-24-9-8-22-16-23(10-13-29(22,2)25(24)11-14-30(26,31)3)33-39-18-27(35)32-17-20-4-6-21(7-5-20)28(36)37/h16,20-21,24-26,38H,4-15,17-18H2,1-3H3,(H,32,35)(H,36,37)/b33-23-/t20?,21?,24?,25?,26?,29-,30-,31-/m0/s1	C31H46N2O6	542.707	8	3	125.29	5	8	0	-0.172399999999995	4.95887000000001	3.99	3.909	144.1966	151.9453	4.2703	544.502275714369
Cond-000999	NPD1120	NPD1120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9679481065	COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)CCC2CCCCC2)cc1OC	InChI=1S/C29H36N2O5/c1-33-25-15-20-12-13-30-24(22(20)17-27(25)35-3)14-21-16-26(34-2)28(36-4)18-23(21)31-29(32)11-10-19-8-6-5-7-9-19/h12-13,15-19H,5-11,14H2,1-4H3,(H,31,32)	C29H36N2O5	492.607	7	1	78.91	4	11	2	-0.889300000000001	7.26528	3.88	5.875	70.9015	145.4097	3.8664	470.230703659675
Cond-001000	NPD1121	NPD1121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9801941367	COc1cccc(c1)C(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C25H20O5/c1-16-23(29-15-22(26)18-9-6-10-19(13-18)28-2)12-11-20-21(14-24(27)30-25(16)20)17-7-4-3-5-8-17/h3-14H,15H2,1-2H3	C25H20O5	400.423	5	0	61.83	4	6	1	0.0448999999999993	5.44309	3.66	6.709	39.6601	118.6265	2.9742	371.143868637474
Cond-001001	NPD1122	NPD1122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.7847358121	CCCCOc1ccc(cc1)C(=O)Nc1c(Cc2nccc3cc(OC)c(OC)cc23)cc(OC)c(OC)c1	InChI=1S/C31H34N2O6/c1-6-7-14-39-23-10-8-20(9-11-23)31(34)33-25-19-30(38-5)28(36-3)17-22(25)15-26-24-18-29(37-4)27(35-2)16-21(24)12-13-32-26/h8-13,16-19H,6-7,14-15H2,1-5H3,(H,33,34)	C31H34N2O6	530.611	8	1	88.14	4	13	2	-1.188	7.13198	3.99	5.628	59.5125	155.5477	4.0779	494.80352350957
Cond-001002	NPD1123	NPD1123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.6711220019	COc1cc2c(cc1)c1cc3c(oc(C)c3c3ccccc3)c(C)c1oc2=O	InChI=1S/C24H18O4/c1-13-22-18(17-10-9-16(26-3)11-19(17)24(25)28-22)12-20-21(14(2)27-23(13)20)15-7-5-4-6-8-15/h4-12H,1-3H3	C24H18O4	370.397	4	0	48.67	5	2	1	0.7845	5.91082	3.66	6.677	26.4612	115.156	2.709	324.437657311046
Cond-001003	NPD1124	NPD1124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.3843640382	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1	InChI=1S/C27H32N4O2/c1-33-22-9-10-25-23(18-22)24-19-31(13-11-26(24)28-25)27(32)20-30-16-14-29(15-17-30)12-5-8-21-6-3-2-4-7-21/h2-10,18,28H,11-17,19-20H2,1H3/b8-5+	C27H32N4O2	444.569	6	1	51.81	5	7	0	-1.0214	3.02717	3.77	4.823	74.6309	135.226	3.4995	418.905116021792
Cond-001004	NPD1125	NPD1125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.7463094857	COc1cc(cc(OC)c1OC)C(=O)NCC1(CCOCC1)c1ccccc1	InChI=1S/C22H27NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)21(24)23-15-22(9-11-28-12-10-22)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,24)	C22H27NO5	385.453	6	1	66.02	3	8	0	-0.768099999999998	3.15899	3.22	4.341	56.6687	109.6257	2.9749	366.691427172841
Cond-001005	NPD1126	NPD1126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9469403849	COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1c(OC)cccc1	InChI=1S/C27H33NO3/c1-20(2)31-24-13-9-21(10-14-24)19-28-18-17-25(22-11-15-23(29-3)16-12-22)26-7-5-6-8-27(26)30-4/h5-16,20,25,28H,17-19H2,1-4H3	C27H33NO3	419.556	4	1	39.72	3	11	2	-1.0216	5.94739000000001	3.99	7.212	50.8617	126.7387	3.476	419.417979499453
Cond-001006	NPD1127	NPD1127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.254799517	COc1c(cccc1)C(CC(=O)NCCC(c1ccco1)c1ccccc1)c1ccc(OC(C)C)cc1	InChI=1S/C32H35NO4/c1-23(2)37-26-17-15-25(16-18-26)29(28-12-7-8-13-30(28)35-3)22-32(34)33-20-19-27(31-14-9-21-36-31)24-10-5-4-6-11-24/h4-18,21,23,27,29H,19-20,22H2,1-3H3,(H,33,34)	C32H35NO4	497.625	5	1	60.7	4	13	2	-1.3494	7.69179000000001	4.43	9.541	52.7164	149.9957	4.00160000000001	483.522294526148
Cond-001007	NPD1128	NPD1128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3341982605	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(c1)N(=O)=O)ncc2	InChI=1S/C26H25N3O8S/c1-34-23-11-16-8-9-27-22(20(16)14-25(23)36-3)10-17-12-24(35-2)26(37-4)15-21(17)28-38(32,33)19-7-5-6-18(13-19)29(30)31/h5-9,11-15,28H,10H2,1-4H3	C26H25N3O8S	539.557	11	1	147.5	4	10	0	-0.1624	5.77608	3	4.056	49.0494	140.0687	3.7541	455.409838047125
Cond-001008	NPD1129	NPD1129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.4955883391	[C@@H]12C=Cc3c(ccc(OC)c3)N1[C@H](C(=O)C)[C@H](C(=O)c1ccc(Br)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C29H23BrN2O4/c1-16(33)26-25(27(34)17-7-10-19(30)11-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-20(36-2)12-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35)/t24-,25+,26+,29+/m0/s1	C29H23BrN2O4	543.408	6	1	75.71	6	4	1	-0.5565	5.67117	3.88	5.061	65.6522	143.9002	3.59350000000001	445.46534373188
Cond-001009	NPD113	NPD113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.2899813317	Cc1cc(=O)oc2c1ccc(OCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O)c2	InChI=1S/C24H23NO8/c1-15-11-23(28)33-20-12-17(7-8-18(15)20)31-14-21(26)25-19(24(29)30)9-10-22(27)32-13-16-5-3-2-4-6-16/h2-8,11-12,19H,9-10,13-14H2,1H3,(H,25,26)(H,29,30)/t19-/m0/s1	C24H23NO8	453.441	9	2	128.23	3	12	1	-1.0039	2.69317	3.11	3.897	63.4466	119.7475	3.2608	417.108241723058
Cond-001010	NPD1130	NPD1130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.985582966	CCOc1ccc(CNC(=S)N/N=C/c2ccc(OC3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)c(OC)c2)cc1	InChI=1S/C32H39N3O12S/c1-7-41-24-11-8-22(9-12-24)15-33-32(48)35-34-16-23-10-13-25(26(14-23)40-6)46-31-30(45-21(5)39)29(44-20(4)38)28(43-19(3)37)27(47-31)17-42-18(2)36/h8-14,16,27-31H,7,15,17H2,1-6H3,(H2,33,35,48)/b34-16+/t27-,28+,29+,30-,31?/m1/s1	C32H39N3O12S	689.73	15	2	210.63	3	20	2	-0.295200000000004	2.94918000000001	3.22	4.939	120.706	177.9044	4.94290000000001	628.503111305367
Cond-001011	NPD1131	NPD1131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9306257239	CCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(Cl)cc1	InChI=1S/C28H32ClNO2/c1-4-28(31)30(20-22-10-14-25(29)15-11-22)19-18-27(23-8-6-5-7-9-23)24-12-16-26(17-13-24)32-21(2)3/h5-17,21,27H,4,18-20H2,1-3H3	C28H32ClNO2	450.012	3	0	29.54	3	11	2	-0.302	6.96569000000001	4.1	9.532	56.4351	133.828	3.6376	440.498346494392
Cond-001012	NPD1132	NPD1132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7899456263	[C@@H]1(NC(=O)/C(=N/OC)/c2csc(N)n2)C(=O)N2C(=C(CSc3nnc(C)s3)CS[C@H]12)C(=O)O	InChI=1S/C17H17N7O5S4/c1-6-21-22-17(33-6)32-4-7-3-30-14-10(13(26)24(14)11(7)15(27)28)20-12(25)9(23-29-2)8-5-31-16(18)19-8/h5,10,14H,3-4H2,1-2H3,(H2,18,19)(H,20,25)(H,27,28)/b23-9+/t10-,14-/m1/s1	C17H17N7O5S4	527.621	12	4	280.07	4	9	0	-0.1793	0.94448	1.57	-1.57	101.6669	125.0029	3.3286	402.598785420507
Cond-001013	NPD1133	NPD1133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9829706484	CC(C)Oc1ccc(cc1)C(CCN1C(=O)c2c(cccc2)C1=O)c1ccccc1	InChI=1S/C26H25NO3/c1-18(2)30-21-14-12-20(13-15-21)22(19-8-4-3-5-9-19)16-17-27-25(28)23-10-6-7-11-24(23)26(27)29/h3-15,18,22H,16-17H2,1-2H3	C26H25NO3	399.482	4	0	46.61	4	7	1	-1.2675	5.24369000000001	3.88	8.63	40.6009	119.0115	3.1405	384.492618771186
Cond-001014	NPD1135	NPD1135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4598825832	CC1(C)CC2(CCO1)Oc1c(cccc1)C1CC(=NN21)c1ccc2OCOc2c1	InChI=1S/C23H24N2O4/c1-22(2)13-23(9-10-28-22)25-18(16-5-3-4-6-19(16)29-23)12-17(24-25)15-7-8-20-21(11-15)27-14-26-20/h3-8,11,18H,9-10,12-14H2,1-2H3	C23H24N2O4	392.448	6	0	52.52	6	1	0	-0.125600000000003	5.35928000000001	3.33	4.878	56.3027	112.379	2.8311	349.124569203913
Cond-001015	NPD1136	NPD1136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4742796579	COc1ccccc1Cn1cnc2c([nH]c3c2cc(OC)c(OC)c3)c1=O	InChI=1S/C20H19N3O4/c1-25-15-7-5-4-6-12(15)10-23-11-21-18-13-8-16(26-2)17(27-3)9-14(13)22-19(18)20(23)24/h4-9,11,22H,10H2,1-3H3	C20H19N3O4	365.383	7	1	76.15	4	5	0	-1.2332	3.51487	2.89	2.926	44.9521	109.303	2.6394	316.77337553448
Cond-001016	NPD1137	NPD1137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4762385277	COc1ccc(NC(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3c2cc(OC)c(OC)c3)cc1	InChI=1S/C28H29N3O6/c1-33-20-8-6-19(7-9-20)30-28(32)31-22-16-27(37-5)25(35-3)14-18(22)12-23-21-15-26(36-4)24(34-2)13-17(21)10-11-29-23/h6-11,13-16H,12H2,1-5H3,(H2,30,31,32)	C28H29N3O6	503.546	9	2	100.17	4	11	1	-0.5655	6.58307	3.55	4.137	51.2762	146.4604	3.755	453.912329840136
Cond-001017	NPD1138	NPD1138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.9457017923	COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2)c(OC(=O)c2ccco2)c1	InChI=1S/C23H20O7/c1-26-16-8-9-17(21(14-16)30-23(25)20-5-4-12-29-20)18(24)10-6-15-7-11-19(27-2)22(13-15)28-3/h4-14H,1-3H3/b10-6+	C23H20O7	408.401	7	0	84.2	3	9	0	-0.303299999999999	4.70717	3.22	4.181	45.4477	113.5915	2.9614	369.125270188463
Cond-001018	NPD1139	NPD1139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.725781492	CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1	InChI=1S/C22H25NO3/c1-23-18-12-13-19(23)15-20(14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20?	C22H25NO3	351.439	4	1	49.77	4	5	1	-2.024	2.75099	3.44	5.786	41.5941	101.1018	2.7489	336.754515070919
Cond-001019	NPD114	NPD114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8258016475	CN1C(=O)N(C)C(=O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc3CCc4cccc2c34)C1=O	InChI=1S/C31H32N4O4/c1-32-28(37)31(29(38)33(2)30(32)39,14-22-12-11-21-10-9-20-5-3-6-24(22)27(20)21)18-34-15-19-13-23(17-34)25-7-4-8-26(36)35(25)16-19/h3-8,11-12,19,23H,9-10,13-18H2,1-2H3/t19-,23+/m1/s1	C31H32N4O4	524.61	8	0	81.24	7	4	0	-1.2018	2.83797	3.99	4.592	107.7204	148.105	3.8773	486.583673123181
Cond-001020	NPD1140	NPD1140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8991696323	CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(O)C(=O)O	InChI=1S/C31H45NO9/c1-28(2,26(37)27(38)39)17-32-24(35)7-8-25(36)41-16-23(34)31(40)14-11-22-20-6-5-18-15-19(33)9-12-29(18,3)21(20)10-13-30(22,31)4/h15,20-22,26,37,40H,5-14,16-17H2,1-4H3,(H,32,35)(H,38,39)/t20?,21?,22?,26?,29-,30-,31-/m0/s1	C31H45NO9	575.69	10	4	167.3	4	12	1	-0.482700000000002	2.88988000000001	3.77	1.724	146.5666	150.2661	4.4122	569.596195607885
Cond-001021	NPD1141	NPD1141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8819854884	CCOC(=O)C1=C(C)OC(=C(C(=O)OCC)C21C(=O)N(CC(=O)OC)c1c2cccc1)N	InChI=1S/C22H24N2O8/c1-5-30-19(26)16-12(3)32-18(23)17(20(27)31-6-2)22(16)13-9-7-8-10-14(13)24(21(22)28)11-15(25)29-4/h7-10H,5-6,11,23H2,1-4H3	C22H24N2O8	444.435	10	2	134.46	3	9	0	-1.0296	1.65806	2.78	2.775	86.316	113.8804	3.1648	409.685950081091
Cond-001022	NPD1142	NPD1142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6737302388	Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(=O)O)c(O)cc3)ccc12	InChI=1S/C19H15NO7/c1-10-6-18(23)27-16-8-12(3-4-13(10)16)26-9-17(22)20-11-2-5-15(21)14(7-11)19(24)25/h2-8,21H,9H2,1H3,(H,20,22)(H,24,25)	C19H15NO7	369.325	8	3	122.16	3	6	0	-0.9744	3.95285	2.67	2.874	44.2237	101.823	2.5406	324.474550593963
Cond-001023	NPD1143	NPD1143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8120403961	COc1ccc(cc1)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)/c1nc2ccccc2o1	InChI=1S/C26H23NO6/c1-29-18-11-9-17(10-12-18)24(28)19(26-27-20-7-5-6-8-21(20)33-26)13-16-14-22(30-2)25(32-4)23(15-16)31-3/h5-15H,1-4H3/b19-13+	C26H23NO6	445.464	7	0	80.02	4	8	0	-0.3529	5.36767	3.55	4.724	45.3268	127.511	3.2736	397.326840172069
Cond-001024	NPD1145	NPD1145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3936265264	CC(C)C[C@H](NC(=O)C(C)Oc1c2c3c(CCC3)c(=O)oc2cc(C)c1)C(=O)O	InChI=1S/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t13?,16-/m0/s1	C22H27NO6	401.453	7	2	101.93	3	8	0	0.00119999999999942	3.50589	3.11	3.677	79.8584	109.8415	3.0336	386.381653873402
Cond-001025	NPD1146	NPD1146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.2858097572	COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)/c2nc3ccccc3o2)cc1	InChI=1S/C26H23NO4/c1-17(2)30-21-14-10-19(11-15-21)25(28)22(16-18-8-12-20(29-3)13-9-18)26-27-23-6-4-5-7-24(23)31-26/h4-17H,1-3H3/b22-16+	C26H23NO4	413.465	5	0	61.56	4	7	1	-0.2994	6.12907	3.77	6.706	40.1938	123.619	3.1562	379.746386770947
Cond-001026	NPD1147	NPD1147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2781719843	COc1cccc(c1)C(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1C	InChI=1S/C22H20O5/c1-13-20(26-12-19(23)14-5-3-6-15(11-14)25-2)10-9-17-16-7-4-8-18(16)22(24)27-21(13)17/h3,5-6,9-11H,4,7-8,12H2,1-2H3	C22H20O5	364.391	5	0	61.83	4	5	0	-0.2072	4.94889	3.33	3.741	51.1575	105.8765	2.6805	338.065290862274
Cond-001027	NPD1148	NPD1148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0403284629	[C@@H]12C=Cc3c(ccc(OC)c3)N1[C@H](C(=O)C)[C@H](C(=O)c1ccc(F)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C29H23FN2O4/c1-16(33)26-25(27(34)17-7-10-19(30)11-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-20(36-2)12-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35)/t24-,25+,26+,29+/m0/s1	C29H23FN2O4	482.502	6	1	75.71	6	4	0	-0.9656	5.30936000000001	3.88	4.586	57.9256	136.3607	3.43620000000001	432.24928360462
Cond-001028	NPD1149	NPD1149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8873225454	CC(Oc1c2c(oc(=O)c3c2CCCC3)cc(C)c1)C(=O)NCCCCCC(=O)O	InChI=1S/C23H29NO6/c1-14-12-18(29-15(2)22(27)24-11-7-3-4-10-20(25)26)21-16-8-5-6-9-17(16)23(28)30-19(21)13-14/h12-13,15H,3-11H2,1-2H3,(H,24,27)(H,25,26)	C23H29NO6	415.479	7	2	101.93	3	10	0	-1.7758	4.22440000000001	3.22	3.517	78.7238	115.6125	3.1745	403.677638499269
Cond-001029	NPD115	NPD115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	17.4854526376	CC(Cc1ccccc1)NC(=O)CC(c1ccccc1)c1c(O)c(C)c(C)cc1	InChI=1S/C26H29NO2/c1-18-14-15-23(26(29)20(18)3)24(22-12-8-5-9-13-22)17-25(28)27-19(2)16-21-10-6-4-7-11-21/h4-15,19,24,29H,16-17H2,1-3H3,(H,27,28)	C26H29NO2	387.514	3	2	49.33	3	8	1	0.156100000000001	5.36013000000001	3.99	9.419	43.5012	121.0407	3.2334	390.695309472225
Cond-001030	NPD1150	NPD1150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.9586293558	COc1cc2c(cc1)c1cc3c(oc(C)c3c3ccccc3)cc1oc2=O	InChI=1S/C23H16O4/c1-13-22(14-6-4-3-5-7-14)19-11-17-16-9-8-15(25-2)10-18(16)23(24)27-20(17)12-21(19)26-13/h3-12H,1-2H3	C23H16O4	356.371	4	0	48.67	5	2	1	0.1425	5.8828	3.55	6.565	20.9591	111.516	2.5681	307.141672685179
Cond-001031	NPD1151	NPD1151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.4997764758	[C@@H]12C=Cc3c(cccc3)N1[C@H](C(=O)OCC)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C33H32N2O4/c1-4-39-31(37)29-28(30(36)23-15-13-21(14-16-23)19-20(2)3)33(24-10-6-7-11-25(24)34-32(33)38)27-18-17-22-9-5-8-12-26(22)35(27)29/h5-18,20,27-29H,4,19H2,1-3H3,(H,34,38)/t27-,28+,29-,33+/m0/s1	C33H32N2O4	520.618	6	1	75.71	6	7	1	0.0160999999999998	6.59976000000001	4.43	8.363	74.2715	154.5662	3.98210000000001	495.365663257781
Cond-001032	NPD1152	NPD1152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.7967321389	OC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	InChI=1S/C30H23N3O5/c34-27(21-9-5-2-6-10-21)31-24-15-11-22(12-16-24)28(35)33-26(19-20-7-3-1-4-8-20)29(36)32-25-17-13-23(14-18-25)30(37)38/h1-19H,(H,31,34)(H,32,36)(H,33,35)(H,37,38)/b26-19+	C30H23N3O5	505.521	8	4	124.6	4	11	2	-2.1232	4.83238000000001	3.88	8.736	39.1901	146.7129	3.76310000000001	466.531778887308
Cond-001033	NPD1153	NPD1153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	50.7808370573	CCOC(=O)c1c(c(=O)c2cc(CC)c(O)cc2o1)c1c(Cl)cccc1	InChI=1S/C20H17ClO5/c1-3-11-9-13-16(10-15(11)22)26-19(20(24)25-4-2)17(18(13)23)12-7-5-6-8-14(12)21/h5-10,22H,3-4H2,1-2H3	C20H17ClO5	372.799	5	1	72.83	3	5	0	0.26	5.08006	3	4.798	50.2042	104.1095	2.6297	331.040848081774
Cond-001034	NPD1156	NPD1156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.145596079	COc1cccc2c1OC1(CCOC(C)(C)C1)N1N=C(CC21)c1ccc(Br)cc1	InChI=1S/C23H25BrN2O3/c1-22(2)14-23(11-12-28-22)26-19(17-5-4-6-20(27-3)21(17)29-23)13-18(25-26)15-7-9-16(24)10-8-15/h4-10,19H,11-14H2,1-3H3	C23H25BrN2O3	457.36	5	0	43.29	5	2	1	1.0141	5.90089000000001	3.33	5.618	64.7455	118.447	3.056	371.974420181719
Cond-001035	NPD1157	NPD1157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1282636752	COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(cc1)C(=O)C	InChI=1S/C21H21N3O4/c1-13(25)14-7-9-16(10-8-14)23-21(27)24-19(20(26)28-2)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12,19,22H,11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1	C21H21N3O4	379.409	7	3	100.29	3	9	0	-1.3855	3.39767	3	3.277	44.1896	110.9779	2.8459	343.789360160346
Cond-001036	NPD1158	NPD1158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1503869893	CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](C)C(=O)O)c2oc1=O	InChI=1S/C20H27NO5/c1-4-5-6-7-8-15-12(2)14-9-10-17(22)16(18(14)26-20(15)25)11-21-13(3)19(23)24/h9-10,13,21-22H,4-8,11H2,1-3H3,(H,23,24)/t13-/m0/s1	C20H27NO5	361.432	6	3	95.86	2	9	0	-1.6255	4.25557000000001	3	4.155	69.1003	105.2035	2.8447	357.992375322708
Cond-001037	NPD1159	NPD1159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0518689089	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)cc1	InChI=1S/C33H43NO7/c1-31-15-11-24(36)19-22(31)5-8-25-26(31)12-16-32(2)27(25)13-17-33(32,40)28(37)20-41-30(39)10-9-29(38)34-18-14-21-3-6-23(35)7-4-21/h3-4,6-7,19,25-27,35,40H,5,8-18,20H2,1-2H3,(H,34,38)/t25?,26?,27?,31-,32-,33-/m0/s1	C33H43NO7	565.697	8	3	130	5	11	1	-0.7444	4.36648000000001	4.21	3.568	126.8516	154.6533	4.382	558.078335356096
Cond-001038	NPD116	NPD116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3462749213	[C@H](CC(C)C)(NC(=O)COc1cc2c(cc1)c(C)cc(=O)o2)C(=O)OC	InChI=1S/C19H23NO6/c1-11(2)7-15(19(23)24-4)20-17(21)10-25-13-5-6-14-12(3)8-18(22)26-16(14)9-13/h5-6,8-9,11,15H,7,10H2,1-4H3,(H,20,21)/t15-/m1/s1	C19H23NO6	361.389	7	1	90.93	2	9	0	0.408300000000002	2.64357	2.78	2.949	68.4706	98.8667	2.7195	346.850158696602
Cond-001039	NPD1160	NPD1160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5346697725	[C@@H]12C=Cc3c(ccc(OC)c3)N1[C@H](C(=O)C)[C@H](C(=O)c1ccc(Cl)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C29H23ClN2O4/c1-16(33)26-25(27(34)17-7-10-19(30)11-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-20(36-2)12-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35)/t24-,25+,26+,29+/m0/s1	C29H23ClN2O4	498.957	6	1	75.71	6	4	0	-0.701	5.56207	3.88	4.723	62.6687	141.2102	3.54090000000001	441.392792524747
Cond-001040	NPD1161	NPD1161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5291571648	COc1c2C(CN/C=C/3\C(=O)NC(=O)N(C3=O)c3ccc(Br)cc3)N(C)CCc2cc2c1OCO2	InChI=1S/C24H23BrN4O6/c1-28-8-7-13-9-18-20(35-12-34-18)21(33-2)19(13)17(28)11-26-10-16-22(30)27-24(32)29(23(16)31)15-5-3-14(25)4-6-15/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,32)/b16-10+	C24H23BrN4O6	543.367	10	2	109.44	5	5	0	-0.6657	3.87426	2.89	3.073	80.7216	136.4514	3.4436	429.725229223202
Cond-001041	NPD1162	NPD1162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9412330018	COc1ccc(NC(=O)C(C)Oc2ccc3oc(=O)cc(C)c3c2)cc1	InChI=1S/C20H19NO5/c1-12-10-19(22)26-18-9-8-16(11-17(12)18)25-13(2)20(23)21-14-4-6-15(24-3)7-5-14/h4-11,13H,1-3H3,(H,21,23)	C20H19NO5	353.369	6	1	73.86	3	6	0	-0.230100000000001	4.57556	3	3.699	46.4151	101.9267	2.6071	326.826540519507
Cond-001042	NPD1163	NPD1163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0645561455	Cc1cc(=O)oc2cc3c(cc12)c(co3)c1ccc(Br)cc1	InChI=1S/C18H11BrO3/c1-10-6-18(20)22-17-8-16-14(7-13(10)17)15(9-21-16)11-2-4-12(19)5-3-11/h2-9H,1H3	C18H11BrO3	355.182	3	0	39.44	4	1	0	1.4511	5.78497	3	4.594	31.0354	93.762	2.1745	259.684517935251
Cond-001043	NPD1164	NPD1164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.214687951	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1/C=C\1/C(=O)NC(=NC1=O)O	InChI=1S/C23H21N3O7/c1-26(22(29)13-6-4-3-5-7-13)9-8-14-10-17-19(33-12-32-17)18(31-2)15(14)11-16-20(27)24-23(30)25-21(16)28/h3-7,10-11H,8-9,12H2,1-2H3,(H2,24,25,27,28,30)	C23H21N3O7	451.429	10	2	126.76	4	7	0	-1.3153	2.14206	2.89	3.106	66.8491	122.471	3.1522	400.659092112163
Cond-001044	NPD1165	NPD1165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.5907452789	COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2)c(OC(=O)c2ccccc2OC)c1	InChI=1S/C26H24O7/c1-29-18-11-12-19(21(27)13-9-17-10-14-23(31-3)25(15-17)32-4)24(16-18)33-26(28)20-7-5-6-8-22(20)30-2/h5-16H,1-4H3/b13-9+	C26H24O7	448.465	7	0	80.29	3	10	1	-0.201	5.12277	3.55	5.892	51.1444	127.8775	3.3411	418.376765365263
Cond-001045	NPD1166	NPD1166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7558876383	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	InChI=1S/C31H38N2O7/c1-29-12-10-21(34)15-19(29)6-7-22-23-11-13-31(39,30(23,2)16-24(35)28(22)29)25(36)18-40-27(38)9-8-26(37)33-17-20-5-3-4-14-32-20/h3-5,10,12,14-15,22-24,28,35,39H,6-9,11,13,16-18H2,1-2H3,(H,33,37)/t22?,23?,24?,28?,29-,30-,31?/m0/s1	C31H38N2O7	550.643	9	3	142.89	5	10	0	-1.0421	2.80677000000001	3.88	1.756	122.1748	147.4933	4.157	531.84666761173
Cond-001046	NPD1167	NPD1167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9224488836	[C@@H]12C=Cc3c(ccc(OC)c3)N1[C@H](C(=O)C)[C@H](C(=O)c1ccco1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C27H22N2O5/c1-15(30)24-23(25(31)21-8-5-13-34-21)27(18-6-3-4-7-19(18)28-26(27)32)22-12-9-16-14-17(33-2)10-11-20(16)29(22)24/h3-14,22-24H,1-2H3,(H,28,32)/t22-,23+,24+,27+/m0/s1	C27H22N2O5	454.474	7	1	88.85	6	4	0	-1.5994	4.50167	3.66	3.237	58.6722	128.4662	3.23840000000001	403.016440903941
Cond-001047	NPD117	NPD117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9237213199	C(=C\C(=O)c1ccc(Br)cc1)/N1C[C@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C20H19BrN2O2/c21-17-6-4-15(5-7-17)19(24)8-9-22-11-14-10-16(13-22)18-2-1-3-20(25)23(18)12-14/h1-9,14,16H,10-13H2/b9-8+/t14-,16?/m1/s1	C20H19BrN2O2	399.281	4	0	40.62	4	3	0	-0.2894	3.12646	3.11	3.344	78.2672	101.93	2.6402	331.916239603557
Cond-001048	NPD1170	NPD1170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1505722122	COc1cc2c(cc1OC)c1c([nH]2)c(ncn1)N1CCN(Cc2cc3c(OCO3)cc2)CC1	InChI=1S/C24H25N5O4/c1-30-19-10-16-17(11-20(19)31-2)27-23-22(16)25-13-26-24(23)29-7-5-28(6-8-29)12-15-3-4-18-21(9-15)33-14-32-18/h3-4,9-11,13,27H,5-8,12,14H2,1-2H3	C24H25N5O4	447.486	9	1	84.97	6	5	0	-0.742299999999999	4.07416	3.11	1.882	54.7607	129.414	3.1854	372.33791705268
Cond-001049	NPD1172	NPD1172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5793593274	CCOc1ccc(cc1)n1c(=O)[nH]c(O)c(C2OCc3c2c(O)c(C)nc3)c1=O	InChI=1S/C20H19N3O6/c1-3-28-13-6-4-12(5-7-13)23-19(26)15(18(25)22-20(23)27)17-14-11(9-29-17)8-21-10(2)16(14)24/h4-8,17,24-25H,3,9H2,1-2H3,(H,22,27)	C20H19N3O6	397.381	9	3	121.22	4	4	0	-0.6011	2.56709	2.67	1.322	53.9371	105.8215	2.7568	345.253828935602
Cond-001050	NPD1173	NPD1173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.304049417	COCCCN1C(/C(=C(\O)/c2ccc(C)o2)/C(=O)C1=O)c1ccc(O)c(OC)c1	InChI=1S/C21H23NO7/c1-12-5-8-15(29-12)19(24)17-18(13-6-7-14(23)16(11-13)28-3)22(9-4-10-27-2)21(26)20(17)25/h5-8,11,18,23-24H,4,9-10H2,1-3H3/b19-17+	C21H23NO7	401.41	8	2	109.44	3	7	0	-1.7832	2.1709	2.89	2.088	63.7732	106.3416	2.9084	364.339437247296
Cond-001051	NPD1174	NPD1174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6605504587	Cn1c2c(n(CC(=O)Nc3ccc(cc3)C(=O)N)cn2)c(=O)n(C)c1=O	InChI=1S/C16H16N6O4/c1-20-14-12(15(25)21(2)16(20)26)22(8-18-14)7-11(23)19-10-5-3-9(4-6-10)13(17)24/h3-6,8H,7H2,1-2H3,(H2,17,24)(H,19,23)	C16H16N6O4	356.336	10	3	130.63	3	5	0	-2.0048	1.04127	2.12	-0.612	48.6205	96.8126	2.4838	303.836176356312
Cond-001052	NPD1175	NPD1175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8136562395	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)Nc1c3ccccc3ccc1)ncc2	InChI=1S/C31H29N3O5/c1-36-27-15-20-12-13-32-26(23(20)17-29(27)38-3)14-21-16-28(37-2)30(39-4)18-25(21)34-31(35)33-24-11-7-9-19-8-5-6-10-22(19)24/h5-13,15-18H,14H2,1-4H3,(H2,33,34,35)	C31H29N3O5	523.579	8	2	90.94	5	10	1	-0.513700000000001	7.72767	3.99	6.457	43.9604	157.4144	3.9244	468.480680914775
Cond-001053	NPD1176	NPD1176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0186439864	COc1cc2c(cc1OC)[C@H](C)N(CC2)C(=O)CSc1nc(O)cc(=O)n1C	InChI=1S/C19H23N3O5S/c1-11-13-8-15(27-4)14(26-3)7-12(13)5-6-22(11)18(25)10-28-19-20-16(23)9-17(24)21(19)2/h7-9,11,23H,5-6,10H2,1-4H3/t11-/m0/s1	C19H23N3O5S	405.468	8	1	116.97	3	6	0	0.193199999999999	1.82677	2.56	0.734	82.7892	109.7628	2.9153	366.206017769174
Cond-001054	NPD1177	NPD1177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5765700831	COc1ccc(cc1OC)C(=O)Oc1ccc2c(oc(=O)c(CC(C)O)c2C)c1	InChI=1S/C22H22O7/c1-12(23)9-17-13(2)16-7-6-15(11-19(16)29-22(17)25)28-21(24)14-5-8-18(26-3)20(10-14)27-4/h5-8,10-12,23H,9H2,1-4H3	C22H22O7	398.406	7	1	91.29	3	7	0	0.0358000000000001	3.85558	3.11	3.321	57.3221	110.5558	2.9065	368.002202964196
Cond-001055	NPD1178	NPD1178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.3940409592	COc1c(cccc1)C(CCNCc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1	InChI=1S/C26H30ClNO2/c1-19(2)30-23-14-10-21(11-15-23)24(25-6-4-5-7-26(25)29-3)16-17-28-18-20-8-12-22(27)13-9-20/h4-15,19,24,28H,16-18H2,1-3H3	C26H30ClNO2	423.975	3	1	30.49	3	10	1	-0.225500000000001	6.6469	3.88	7.752	49.1615	125.4627	3.3988	408.542835943458
Cond-001056	NPD1179	NPD1179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6155398587	COC(=O)C(Cc1cnc[nH]1)NC(=O)CO/N=C\1/C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(C)O)C3CCC2=C1	InChI=1S/C29H40N4O5/c1-27-10-7-19(33-38-16-25(34)32-24(26(35)37-4)14-20-15-30-17-31-20)13-18(27)5-6-21-22(27)8-11-28(2)23(21)9-12-29(28,3)36/h7,10,13,15,17,21-24,36H,5-6,8-9,11-12,14,16H2,1-4H3,(H,30,31)(H,32,34)/b33-19-/t21?,22?,23?,24?,27-,28-,29-/m0/s1	C29H40N4O5	524.652	9	3	125.9	5	9	0	0.130800000000002	3.22646000000001	3.66	4.449	126.8875	147.1515	4.0434	506.940682776809
Cond-001057	NPD118	NPD118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.864898674	CCN(CCC(C1CCOC(C)(C)C1)c1ccccc1)Cc1ccc(OC)cc1	InChI=1S/C26H37NO2/c1-5-27(20-21-11-13-24(28-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-29-26(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3	C26H37NO2	395.577	3	0	21.7	3	9	1	-0.0650999999999993	6.05749000000001	3.99	7.873	66.7923	121.805	3.4054	412.141144275425
Cond-001058	NPD1181	NPD1181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8376339436	COc1ccc(C2Oc3c(cccc3OC)C3CC(=NN23)c2ccc3OCOc3c2)c(C(=O)O)c1OC	InChI=1S/C27H24N2O8/c1-32-20-6-4-5-15-18-12-17(14-7-9-19-22(11-14)36-13-35-19)28-29(18)26(37-24(15)20)16-8-10-21(33-2)25(34-3)23(16)27(30)31/h4-11,18,26H,12-13H2,1-3H3,(H,30,31)	C27H24N2O8	504.488	10	1	108.28	6	6	0	-0.827799999999999	5.17878	3.33	4.214	58.8836	138.6908	3.4575	432.023579706425
Cond-001059	NPD1182	NPD1182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.116251365	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)(C)N1C(=O)CN(NC(=O)c1c(Cl)cc(Cl)cc1)C2=O	InChI=1S/C23H20Cl2N4O3/c1-23(2)20-15(13-5-3-4-6-17(13)26-20)10-18-22(32)28(11-19(30)29(18)23)27-21(31)14-8-7-12(24)9-16(14)25/h3-9,18,26H,10-11H2,1-2H3,(H,27,31)/t18-/m0/s1	C23H20Cl2N4O3	471.336	7	2	85.51	5	3	0	-0.538600000000001	3.20088	3	4.123	63.3739	125.0207	3.1964	386.297081058952
Cond-001060	NPD1183	NPD1183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9342393075	COc1c2C(CN/C=C/3\C(=O)NC(=O)N(C)C3=O)N(C)CCc2cc2c1OCO2	InChI=1S/C19H22N4O6/c1-22-5-4-10-6-13-15(29-9-28-13)16(27-3)14(10)12(22)8-20-7-11-17(24)21-19(26)23(2)18(11)25/h6-7,12,20H,4-5,8-9H2,1-3H3,(H,21,24,26)/b11-7+	C19H22N4O6	402.401	10	2	109.44	4	4	0	-1.4522	1.00987	2.45	0.306999999999999	77.8192	107.1694	2.8017	355.127521919502
Cond-001061	NPD1184	NPD1184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.9093748498	COc1c(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccco2)cccc1	InChI=1S/C22H18O5/c1-15-9-12-20(27-22(24)21-8-5-13-26-21)17(14-15)18(23)11-10-16-6-3-4-7-19(16)25-2/h3-14H,1-2H3/b11-10+	C22H18O5	362.375	5	0	65.74	3	7	1	0.4423	4.71799	3.33	5.814	36.3182	104.1275	2.7031	334.248832161474
Cond-001062	NPD1185	NPD1185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3142062941	CC(C)C[C@H](NC(=O)C(C)Oc1ccc2c(oc(=O)c3c2CCCC3)c1)C(=O)O	InChI=1S/C22H27NO6/c1-12(2)10-18(21(25)26)23-20(24)13(3)28-14-8-9-16-15-6-4-5-7-17(15)22(27)29-19(16)11-14/h8-9,11-13,18H,4-7,10H2,1-3H3,(H,23,24)(H,25,26)/t13?,18-/m0/s1	C22H27NO6	401.453	7	2	101.93	3	8	0	-0.9288	3.86797000000001	3.11	3.923	77.2679	110.8185	3.0336	386.381653873402
Cond-001063	NPD1186	NPD1186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2300706357	Clc1cc2c(NC3C2N=CN=C3N2CC3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C21H20ClN5O/c22-14-4-5-16-15(7-14)19-20(25-16)21(24-11-23-19)26-8-12-6-13(10-26)17-2-1-3-18(28)27(17)9-12/h1-5,7,11-13,19-20,25H,6,8-10H2	C21H20ClN5O	393.869	6	1	60.3	6	1	0	-1.9204	3.24957	3	1.392	83.5314	112.0707	2.752	344.62680954463
Cond-001064	NPD1187	NPD1187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9876988131	[C@@H]12[C@@H](N3C=Cc4c(cccc4)[C@H]3[C@@H]1C(=O)N(C2=O)c1ccc(OC)cc1)C(=O)N	InChI=1S/C22H19N3O4/c1-29-14-8-6-13(7-9-14)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-12-4-2-3-5-15(12)18(16)24/h2-11,16-19H,1H3,(H2,23,26)/t16-,17+,18+,19-/m1/s1	C22H19N3O4	389.404	7	2	92.94	5	3	0	-1.9818	1.98778	3.11	2.95	53.5625	107.5984	2.7696	347.272427384613
Cond-001065	NPD1189	NPD1189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0948642769	CCOC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	InChI=1S/C18H19N5O5/c1-4-28-17(26)11-6-5-7-12(8-11)20-13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2/h5-8,10H,4,9H2,1-3H3,(H,20,24)	C18H19N5O5	385.374	10	1	113.84	3	7	0	-1.1084	2.11907	2.34	0.86	57.4612	104.2512	2.7245	336.221612100441
Cond-001066	NPD119	NPD119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0118114868	CC1(C)Cc2c(cccc2)C(=N1)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C22H23N3O2/c1-22(2)12-14-7-3-4-9-17(14)20(25-22)24-19(21(26)27)11-15-13-23-18-10-6-5-8-16(15)18/h3-10,13,19,23H,11-12H2,1-2H3,(H,24,25)(H,26,27)	C22H23N3O2	361.437	5	3	77.48	4	5	1	-0.316200000000002	3.69188	3.33	5.171	45.9287	112.0405	2.8038	333.784891385091
Cond-001067	NPD1190	NPD1190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.5757532074	COc1ccc(cc1)C(=O)Oc1c(/C=C/C(=O)c2ccccc2)cccc1	InChI=1S/C23H18O4/c1-26-20-14-11-19(12-15-20)23(25)27-22-10-6-5-9-18(22)13-16-21(24)17-7-3-2-4-8-17/h2-16H,1H3/b16-13+	C23H18O4	358.387	4	0	52.6	3	7	1	-0.0456000000000001	5.09697	3.55	7.303	29.197	108.2215	2.7423	340.118131385979
Cond-001068	NPD1191	NPD1191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.818127668	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)(C)N1C(=O)CN(NC(=O)Cc1ccc(OC)cc1)C2=O	InChI=1S/C25H26N4O4/c1-25(2)23-18(17-6-4-5-7-19(17)26-23)13-20-24(32)28(14-22(31)29(20)25)27-21(30)12-15-8-10-16(33-3)11-9-15/h4-11,20,26H,12-14H2,1-3H3,(H,27,30)/t20-/m0/s1	C25H26N4O4	446.498	8	2	94.74	5	5	0	-2.0442	2.09708	3.33	3.479	64.0077	126.1547	3.2921	399.25714147038
Cond-001069	NPD1192	NPD1192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7368904355	COc1cc2c(cc1)c1cc3c(occ3c3ccc(Cl)cc3)c(C)c1oc2=O	InChI=1S/C23H15ClO4/c1-12-21-18(20(11-27-21)13-3-5-14(24)6-4-13)10-17-16-8-7-15(26-2)9-19(16)23(25)28-22(12)17/h3-11H,1-2H3	C23H15ClO4	390.816	4	0	48.67	5	2	1	1.0893	6.5554	3.44	5.221	26.3443	114.097	2.6905	322.352740455613
Cond-001070	NPD1193	NPD1193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1737933034	COc1ccc(cc1OC)C1=C(Cl)C=C(c2ccc(C)cc2)c2ccccc2O1	InChI=1S/C25H21ClO3/c1-16-8-10-17(11-9-16)20-15-21(26)25(29-22-7-5-4-6-19(20)22)18-12-13-23(27-2)24(14-18)28-3/h4-15H,1-3H3	C25H21ClO3	404.885	3	0	27.69	4	4	1	1.0462	6.29889	3.77	8.86	45.2138	116.487	3.0222	371.410941707585
Cond-001071	NPD1194	NPD1194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.1053937379	Cc1c2oc(=O)c3c(cccc3)c2cc2c1occ2c1ccc(Br)cc1	InChI=1S/C22H13BrO3/c1-12-20-18(19(11-25-20)13-6-8-14(23)9-7-13)10-17-15-4-2-3-5-16(15)22(24)26-21(12)17/h2-11H,1H3	C22H13BrO3	405.241	3	0	39.44	5	1	1	1.2856	6.6559	3.44	6.636	22.012	110.235	2.5435	300.339080336318
Cond-001072	NPD1195	NPD1195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5919946182	CCOc1ccc(cc1)C1=Cc2c(cc(OC)c(OC)c2)/C(=C/c2c3ccccc3ccc2)/O1	InChI=1S/C30H26O4/c1-4-33-24-14-12-21(13-15-24)27-17-23-18-29(31-2)30(32-3)19-26(23)28(34-27)16-22-10-7-9-20-8-5-6-11-25(20)22/h5-19H,4H2,1-3H3/b28-16-	C30H26O4	450.525	4	0	36.92	5	6	1	-0.0170999999999991	6.69888000000001	4.32	10.053	47.1529	134.224	3.46840000000001	422.940647664647
Cond-001073	NPD1196	NPD1196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.364825243	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1/C=C/1\C(=O)N(C2CCCCC2)C(=O)N=C1O	InChI=1S/C29H31N3O7/c1-31(27(34)18-9-5-3-6-10-18)14-13-19-15-23-25(39-17-38-23)24(37-2)21(19)16-22-26(33)30-29(36)32(28(22)35)20-11-7-4-8-12-20/h3,5-6,9-10,15-16,20H,4,7-8,11-14,17H2,1-2H3,(H,30,33,36)/b22-16-	C29H31N3O7	533.572	10	1	117.97	5	8	0	-2.8057	4.18716000000001	3.55	4.756	84.805	148.0473	3.889	492.078541166564
Cond-001074	NPD1197	NPD1197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9820311724	COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1	InChI=1S/C20H21N3O3/c1-13-6-5-7-15(10-13)22-20(25)23-18(19(24)26-2)11-14-12-21-17-9-4-3-8-16(14)17/h3-10,12,18,21H,11H2,1-2H3,(H2,22,23,25)/t18-/m0/s1	C20H21N3O3	351.399	6	3	83.22	3	8	0	-0.489600000000001	3.22309	3	4.309	38.9213	104.6134	2.6893	320.339607534719
Cond-001075	NPD1198	NPD1198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.241724697	[C@@H]12C=Cc3c(cccc3)N1[C@H](C(=O)N)[C@H](C(=O)c1ccccc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C27H21N3O3/c28-25(32)23-22(24(31)17-9-2-1-3-10-17)27(18-11-5-6-12-19(18)29-26(27)33)21-15-14-16-8-4-7-13-20(16)30(21)23/h1-15,21-23H,(H2,28,32)(H,29,33)/t21-,22+,23-,27+/m0/s1	C27H21N3O3	435.474	6	3	92.5	6	3	0	-1.7744	4.32346	3.77	4.922	46.4084	128.5856	3.17780000000001	393.796289010186
Cond-001076	NPD1199	NPD1199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.9159721541	COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)/c2nc3ccccc3o2)cc1OC	InChI=1S/C27H25NO5/c1-17(2)32-20-12-10-19(11-13-20)26(29)21(27-28-22-7-5-6-8-23(22)33-27)15-18-9-14-24(30-3)25(16-18)31-4/h5-17H,1-4H3/b21-15+	C27H25NO5	443.491	6	0	70.79	4	8	1	-0.351200000000001	6.13767	3.77	6.051	47.5096	130.171	3.3558	405.832598097375
Cond-001077	NPD12	NPD12	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.319818426	CC/C(=C/1\C(=O)CC(C)(C)C(C(=O)OC)C1=O)/NCCc1cc(OC)c(OC)cc1	InChI=1S/C23H31NO6/c1-7-15(24-11-10-14-8-9-17(28-4)18(12-14)29-5)19-16(25)13-23(2,3)20(21(19)26)22(27)30-6/h8-9,12,20,24H,7,10-11,13H2,1-6H3/b19-15-	C23H31NO6	417.495	7	1	90.93	2	9	0	-0.380200000000001	3.01738	3.22	3.481	88.808	115.4607	3.2831	416.034097200069
Cond-001078	NPD120	NPD120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.774781841	CCCc1c(C)c2ccc(OC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)cc2oc1=O	InChI=1S/C30H29NO6/c1-3-10-25-20(2)24-16-15-23(18-27(24)37-28(25)32)36-29(33)26(17-21-11-6-4-7-12-21)31-30(34)35-19-22-13-8-5-9-14-22/h4-9,11-16,18,26H,3,10,17,19H2,1-2H3,(H,31,34)	C30H29NO6	499.554	7	1	90.93	4	12	2	0.195	5.38158000000001	3.99	9.59	61.3328	143.0697	3.7942	474.774319974736
Cond-001079	NPD1200	NPD1200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8178847725	Cc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1	InChI=1S/C27H32N4O/c1-21-9-10-25-23(18-21)24-19-31(13-11-26(24)28-25)27(32)20-30-16-14-29(15-17-30)12-5-8-22-6-3-2-4-7-22/h2-10,18,28H,11-17,19-20H2,1H3/b8-5+	C27H32N4O	428.569	5	1	42.58	5	6	1	-0.3276	3.04659	3.88	5.801	72.8172	132.314	3.4408	410.114889321231
Cond-001080	NPD1201	NPD1201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6738529047	Cc1c(cc(o1)C(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H26N2O3/c1-13-16(9-18(26-13)21(2,3)4)20(25)22-10-14-8-15(12-22)17-6-5-7-19(24)23(17)11-14/h5-7,9,14-15H,8,10-12H2,1-4H3/t14-,15+/m0/s1	C21H26N2O3	354.443	5	0	53.76	4	3	0	0.439100000000001	2.99168	3.22	2.156	85.8588	102.3505	2.7508	343.991749354019
Cond-001081	NPD1202	NPD1202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4014703762	COc1cc2c(cc1OC)C(NCC2)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O	InChI=1S/C22H23N3O5/c1-29-16-10-14-8-9-23-19(15(14)11-17(16)30-2)18-20(26)24-22(28)25(21(18)27)12-13-6-4-3-5-7-13/h3-7,10-11,19,23,27H,8-9,12H2,1-2H3,(H,24,26,28)	C22H23N3O5	409.435	8	3	100.13	4	5	0	-0.881600000000002	1.89168	3	3.055	59.5069	110.6112	2.9799	371.055571486774
Cond-001082	NPD1203	NPD1203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0672240642	COCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCC(CC1)C(=O)N	InChI=1S/C16H24N6O4/c1-19-13-11(14(24)20(2)16(19)25)22(8-9-26-3)15(18-13)21-6-4-10(5-7-21)12(17)23/h10H,4-9H2,1-3H3,(H2,17,23)	C16H24N6O4	364.4	10	2	114	3	5	0	-1.8811	0.65177	2.12	-1.533	75.1244	99.2304	2.6558	325.282011159513
Cond-001083	NPD1204	NPD1204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.1557349479	COc1cc2c(NC3CCN(CC23)C(=O)CN2CCc3c(cccc3)C2CN2C(=O)c3c(cccc3)C2=O)cc1	InChI=1S/C32H32N4O4/c1-40-21-10-11-27-25(16-21)26-17-35(15-13-28(26)33-27)30(37)19-34-14-12-20-6-2-3-7-22(20)29(34)18-36-31(38)23-8-4-5-9-24(23)32(36)39/h2-11,16,26,28-29,33H,12-15,17-19H2,1H3	C32H32N4O4	536.621	8	1	82.19	7	6	0	-2.4468	3.92818000000001	4.1	4.921	73.7111	153.0982	3.9752	490.343199048248
Cond-001084	NPD1205	NPD1205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4129158513	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCCC1	InChI=1S/C35H59NO2/c1-25(2)10-9-11-26(3)30-14-15-31-29-13-12-27-24-28(38-33(37)18-23-36-21-7-6-8-22-36)16-19-34(27,4)32(29)17-20-35(30,31)5/h12,25-26,28-32H,6-11,13-24H2,1-5H3/t26?,28?,29?,30?,31?,32?,34-,35+/m0/s1	C35H59NO2	525.848	3	0	29.54	5	10	1	1.1428	8.97568	4.98	11.805	149.2203	160.807	4.6283	575.437923309824
Cond-001085	NPD1206	NPD1206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.2484493624	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(cc12)c(co3)c1cc(OC)ccc1	InChI=1S/C26H20O5/c1-15-25-22(23(14-30-25)17-5-4-6-19(11-17)29-3)12-21-20(13-24(27)31-26(15)21)16-7-9-18(28-2)10-8-16/h4-14H,1-3H3	C26H20O5	412.434	5	0	57.9	5	4	1	0.458699999999999	6.09609	3.77	5.708	37.0679	122.676	3.0065	365.183394562541
Cond-001086	NPD1207	NPD1207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4318869828	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3c(C)oc4c3cc(OC(=O)C)cc4)cc2o1)c1ccc(OC)cc1	InChI=1S/C31H24O10/c1-5-37-31(35)29-27(18-6-8-19(36-4)9-7-18)28(33)22-12-10-21(15-25(22)41-29)40-30(34)26-16(2)38-24-13-11-20(14-23(24)26)39-17(3)32/h6-15H,5H2,1-4H3	C31H24O10	556.516	10	0	127.57	5	10	1	-0.269599999999999	5.87677000000001	3.77	6.132	64.3487	152.3135	3.8755	487.70507509228
Cond-001087	NPD121	NPD121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.470732425	Oc1c(C(c2ccccc2)c2c(O)c3c(oc2=O)cccc3)c(=O)oc2ccccc12	InChI=1S/C25H16O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h1-13,19,26-27H	C25H16O6	412.391	6	2	93.06	5	3	1	-0.698	5.59956	3.55	7.559	37.6389	118.7376	2.8813	364.941177936435
Cond-001088	NPD1210	NPD1210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4815241939	[C@H]12C=Cc3c(cccc3)N1[C@H](C(=O)N)[C@@H]1C(=O)N(C(=O)[C@H]21)c1cc2c(OCO2)cc1	InChI=1S/C22H17N3O5/c23-20(26)19-18-17(14-7-5-11-3-1-2-4-13(11)25(14)19)21(27)24(22(18)28)12-6-8-15-16(9-12)30-10-29-15/h1-9,14,17-19H,10H2,(H2,23,26)/t14-,17-,18-,19+/m1/s1	C22H17N3O5	403.387	8	2	102.17	6	2	0	-1.7117	2.89655	3	1.574	54.4771	111.8534	2.7197	343.706195384374
Cond-001089	NPD1211	NPD1211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.507693835	CC(Oc1c2c3c(CCC3)c(=O)oc2cc(C)c1)C(=O)N[C@@H](CC(=O)O)C(=O)O	InChI=1S/C20H21NO8/c1-9-6-14(17-11-4-3-5-12(11)20(27)29-15(17)7-9)28-10(2)18(24)21-13(19(25)26)8-16(22)23/h6-7,10,13H,3-5,8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t10?,13-/m0/s1	C20H21NO8	403.383	9	3	139.23	3	8	0	-1.0323	2.1172	2.67	1.359	72.9073	103.7013	2.8262	366.733679321991
Cond-001090	NPD1212	NPD1212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9726027397	CCOC(=O)c1cc2c(oc1=O)c(cc1c2c2c(CCCC2)o1)C(C)(C)C	InChI=1S/C22H24O5/c1-5-25-20(23)14-10-13-18-12-8-6-7-9-16(12)26-17(18)11-15(22(2,3)4)19(13)27-21(14)24/h10-11H,5-9H2,1-4H3	C22H24O5	368.423	5	0	65.74	4	4	1	1.5868	4.95266000000001	3.33	5.402	67.5587	108.206	2.7665	343.338208263874
Cond-001091	NPD1213	NPD1213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1541769339	COC(=O)C1=C(N)OC2=C(C1c1cc(OC)c(OC)c(OC)c1)C(=O)CCC2	InChI=1S/C20H23NO7/c1-24-13-8-10(9-14(25-2)18(13)26-3)15-16-11(22)6-5-7-12(16)28-19(21)17(15)20(23)27-4/h8-9,15H,5-7,21H2,1-4H3	C20H23NO7	389.399	8	2	106.31	3	6	0	-1.1367	2.26287	2.78	1.129	76.2486	101.7404	2.8105	360.57991132223
Cond-001092	NPD1214	NPD1214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1036947573	[C@@H]12C=Cc3c(ccc(OC)c3)N1[C@H](C(=O)C)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C33H32N2O4/c1-19(2)17-21-9-11-22(12-10-21)31(37)29-30(20(3)36)35-27-15-14-24(39-4)18-23(27)13-16-28(35)33(29)25-7-5-6-8-26(25)34-32(33)38/h5-16,18-19,28-30H,17H2,1-4H3,(H,34,38)/t28-,29+,30+,33+/m0/s1	C33H32N2O4	520.618	6	1	75.71	6	6	1	-0.5512	6.10717000000001	4.43	7.229	76.0755	154.7422	3.98210000000001	495.365663257781
Cond-001093	NPD1215	NPD1215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.435562339	COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2cccc(C)c2)cc1OC	InChI=1S/C28H28N2O5/c1-17-7-6-8-19(11-17)28(31)30-22-16-27(35-5)25(33-3)14-20(22)12-23-21-15-26(34-4)24(32-2)13-18(21)9-10-29-23/h6-11,13-16H,12H2,1-5H3,(H,30,31)	C28H28N2O5	472.532	7	1	78.91	4	9	1	0.121200000000001	5.9811	3.77	5.678	46.9614	138.7847	3.5965	434.125342931408
Cond-001094	NPD1216	NPD1216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3336696939	CCOC(=O)c1c(c(=O)c2c(o1)cc(OC(=O)c1c(oc3c1cc(OCC)cc3)c1ccccc1)cc2)c1c(OC)cccc1	InChI=1S/C36H28O9/c1-4-41-22-16-18-28-26(19-22)31(33(44-28)21-11-7-6-8-12-21)35(38)43-23-15-17-25-29(20-23)45-34(36(39)42-5-2)30(32(25)37)24-13-9-10-14-27(24)40-3/h6-20H,4-5H2,1-3H3	C36H28O9	604.602	9	0	110.5	6	11	2	-0.429299999999999	8.03755	4.43	9.03	58.5097	174.8535	4.32670000000001	536.865395418652
Cond-001095	NPD1217	NPD1217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.205479452	COc1cc(cc(OC)c1)C(=O)Nc1c(Cc2nccc3cc(OC)c(OC)cc23)cc(OC)c(OC)c1	InChI=1S/C29H30N2O7/c1-33-20-9-19(10-21(14-20)34-2)29(32)31-23-16-28(38-6)26(36-4)13-18(23)11-24-22-15-27(37-5)25(35-3)12-17(22)7-8-30-24/h7-10,12-16H,11H2,1-6H3,(H,31,32)	C29H30N2O7	518.558	9	1	97.37	4	11	1	-0.6244	5.97028	3.66	3.834	56.0909	148.2487	3.8548	469.001780958397
Cond-001096	NPD1218	NPD1218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4724839349	O=C(N/N=C/1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c1cccc2)c1ccco1	InChI=1S/C25H23N5O4/c31-22-9-3-7-19-17-11-16(13-29(19)22)12-28(14-17)15-30-20-6-2-1-5-18(20)23(25(30)33)26-27-24(32)21-8-4-10-34-21/h1-10,16-17H,11-15H2,(H,27,32)/b26-23-/t16-,17-/m1/s1	C25H23N5O4	457.481	9	1	98.46	6	5	0	-2.2783	2.56516	3.22	2.992	82.176	126.7392	3.2403	406.160984276947
Cond-001097	NPD1219	NPD1219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.853122855	COCCCN1C(/C(=C(\O)/c2ccco2)/C(=O)C1=O)c1cccc(OC)c1	InChI=1S/C20H21NO6/c1-25-10-5-9-21-17(13-6-3-7-14(12-13)26-2)16(19(23)20(21)24)18(22)15-8-4-11-27-15/h3-4,6-8,11-12,17,22H,5,9-10H2,1-2H3/b18-16+	C20H21NO6	371.384	7	1	89.21	3	7	0	-1.7624	2.45648	2.89	2.554	55.4761	98.6078000000001	2.7088	338.253225920868
Cond-001098	NPD122	NPD122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9823874755	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C43H76O2/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-41(44)45-37-30-32-43(4)36(34-37)26-28-38-39-29-27-35(24-22-20-12-10-8-6-2)42(39,3)33-31-40(38)43/h26,35,37-40H,5-25,27-34H2,1-4H3/t35?,37-,38?,39?,40?,42+,43-/m0/s1	C43H76O2	625.062	2	0	26.3	4	23	2	-4.35630000000001	13.86918	5.97	19.03	159.6321	196.350999999999	5.76430000000001	715.165498809387
Cond-001099	NPD1220	NPD1220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8672204284	COc1ccc(/C=N/NC(=O)CN2CCn3c4c(cc(cc4)C4CCCCC4)c4c3C2CCC4)cc1	InChI=1S/C30H36N4O2/c1-36-24-13-10-21(11-14-24)19-31-32-29(35)20-33-16-17-34-27-15-12-23(22-6-3-2-4-7-22)18-26(27)25-8-5-9-28(33)30(25)34/h10-15,18-19,22,28H,2-9,16-17,20H2,1H3,(H,32,35)/b31-19+	C30H36N4O2	484.632	6	1	58.86	6	7	1	-2.0959	5.73657000000001	4.1	7.787	76.6184	148.0677	3.8136	458.436611198592
Cond-001100	NPD1222	NPD1222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.7612429266	CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c12	InChI=1S/C26H26N2O6/c1-3-6-16-12-24(30)34-22-10-15(2)9-21(25(16)22)33-14-23(29)28-20(26(31)32)11-17-13-27-19-8-5-4-7-18(17)19/h4-5,7-10,12-13,20,27H,3,6,11,14H2,1-2H3,(H,28,29)(H,31,32)/t20-/m0/s1	C26H26N2O6	462.494	8	3	117.72	4	10	0	-1.2035	3.96458000000001	3.44	4.413	66.823	131.3815	3.4164	421.860059081036
Cond-001101	NPD1223	NPD1223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2159733295	Brc1cc2c(cc1)N(CN1CCCCC1c1cccnc1)C(=O)/C/2=N\NC(=O)Cc1ccccc1	InChI=1S/C27H26BrN5O2/c28-21-11-12-24-22(16-21)26(31-30-25(34)15-19-7-2-1-3-8-19)27(35)33(24)18-32-14-5-4-10-23(32)20-9-6-13-29-17-20/h1-3,6-9,11-13,16-17,23H,4-5,10,14-15,18H2,(H,30,34)/b31-26-	C27H26BrN5O2	532.432	7	1	77.9	5	7	1	-1.3357	4.75597	3.55	7.507	58.6112	142.5597	3.6453	441.276119105125
Cond-001102	NPD1224	NPD1224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9161020614	COc1ccc(cc1)C1=NN2C(C1)c1c(OC2c2ccc(OC)c(OC)c2C(=O)O)c(OC)ccc1	InChI=1S/C27H26N2O7/c1-32-16-10-8-15(9-11-16)19-14-20-17-6-5-7-21(33-2)24(17)36-26(29(20)28-19)18-12-13-22(34-3)25(35-4)23(18)27(30)31/h5-13,20,26H,14H2,1-4H3,(H,30,31)	C27H26N2O7	490.505	9	1	99.05	5	7	0	-0.5769	4.95789	3.44	4.731	58.7273	137.0588	3.5074	435.589811706664
Cond-001103	NPD1225	NPD1225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8291539837	Brc1cc2c(cc1)N(CN1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)C(=O)/C/2=N\NC(=O)c1ccco1	InChI=1S/C25H22BrN5O4/c26-17-6-7-20-18(10-17)23(27-28-24(33)21-4-2-8-35-21)25(34)31(20)14-29-11-15-9-16(13-29)19-3-1-5-22(32)30(19)12-15/h1-8,10,15-16H,9,11-14H2,(H,28,33)/b27-23-/t15-,16-/m1/s1	C25H22BrN5O4	536.377	9	1	98.46	6	5	0	-1.3895	3.32766	3.11	3.215	90.7751	134.4392	3.4153	425.444603254513
Cond-001104	NPD1226	NPD1226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2701516741	COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2c(SCc3ccccc3)cccc2)cc1OC	InChI=1S/C34H32N2O5S/c1-38-29-17-23-14-15-35-28(26(23)19-31(29)40-3)16-24-18-30(39-2)32(41-4)20-27(24)36-34(37)25-12-8-9-13-33(25)42-21-22-10-6-5-7-11-22/h5-15,17-20H,16,21H2,1-4H3,(H,36,37)	C34H32N2O5S	580.693	7	1	104.21	5	12	2	0.081400000000002	7.90588	4.32	8.143	53.965	170.3917	4.36780000000001	525.244439941008
Cond-001105	NPD1227	NPD1227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.5853635097	CC(C)CCOC(=O)C1C(c2ccccc2)c2c(OC1=O)ccc(Br)c2	InChI=1S/C21H21BrO4/c1-13(2)10-11-25-20(23)19-18(14-6-4-3-5-7-14)16-12-15(22)8-9-17(16)26-21(19)24/h3-9,12-13,18-19H,10-11H2,1-2H3	C21H21BrO4	417.293	4	0	52.6	3	6	1	0.856899999999999	5.47819	3.22	7.43	50.42	106.609	2.8075	346.255615915013
Cond-001106	NPD1228	NPD1228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4909854049	COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NS(=O)(=O)c2cc3c(cc2)nc(SC)s3)cc1OC	InChI=1S/C28H27N3O6S3/c1-34-23-11-16-8-9-29-22(19(16)14-25(23)36-3)10-17-12-24(35-2)26(37-4)15-21(17)31-40(32,33)18-6-7-20-27(13-18)39-28(30-20)38-5/h6-9,11-15,31H,10H2,1-5H3	C28H27N3O6S3	597.725	9	1	170.79	5	10	0	0.460999999999999	7.24146	3.22	4.265	66.4431	153.2267	4.1369	486.182943312136
Cond-001107	NPD1229	NPD1229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.331642388	COc1c2OCOc2cc(CCN(C)C(=O)C)c1/C=C/1\C(=O)N(C(=O)N=C1O)c1ccc(Br)cc1	InChI=1S/C24H22BrN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-	C24H22BrN3O7	544.351	10	1	117.97	4	7	0	-0.416600000000001	4.05475	2.89	2.948	80.8726	136.2888	3.4681	437.238695715597
Cond-001108	NPD123	NPD123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.7703901555	[C@H]12CCCc3c1n(CCN2CCC(=O)O)c1c3cc(cc1)C1CCCCC1	InChI=1S/C23H30N2O2/c26-22(27)11-12-24-13-14-25-20-10-9-17(16-5-2-1-3-6-16)15-19(20)18-7-4-8-21(24)23(18)25/h9-10,15-16,21H,1-8,11-14H2,(H,26,27)/t21-/m0/s1	C23H30N2O2	366.496	4	1	45.47	5	4	1	-1.3667	5.15468000000001	3.55	5.303	66.2288	110.7748	2.9083	349.173491905191
Cond-001109	NPD1230	NPD1230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4607366227	CCCCCCCCCCCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	InChI=1S/C25H39N3O3/c1-3-4-5-6-7-8-9-10-11-14-17-26-25(30)28-23(24(29)31-2)18-20-19-27-22-16-13-12-15-21(20)22/h12-13,15-16,19,23,27H,3-11,14,17-18H2,1-2H3,(H2,26,28,30)/t23-/m0/s1	C25H39N3O3	429.595	6	3	83.22	2	18	2	-3.9487	4.99338000000001	3.55	7.345	73.1461	130.5124	3.6314	437.985365467253
Cond-001110	NPD1231	NPD1231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.937965499	COc1cc(ccc1)C(=O)Oc1ccc(C)cc1C(=O)/C=C/c1c(OC)cccc1	InChI=1S/C25H22O5/c1-17-11-14-24(30-25(27)19-8-6-9-20(16-19)28-2)21(15-17)22(26)13-12-18-7-4-5-10-23(18)29-3/h4-16H,1-3H3/b13-12+	C25H22O5	402.439	5	0	61.83	3	8	1	0.5446	5.13359	3.66	6.76	42.0149	118.4135	3.0828	383.500327338274
Cond-001111	NPD1232	NPD1232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7509594585	COC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C	InChI=1S/C35H43NO10/c1-33-14-12-23(38)17-21(33)6-9-24-25-13-15-35(44,34(25,2)18-27(39)31(24)33)28(40)19-46-30(42)11-10-29(41)36-26(32(43)45-3)16-20-4-7-22(37)8-5-20/h4-5,7-8,17,24-26,31,37,44H,6,9-16,18-19H2,1-3H3,(H,36,41)/t24?,25?,26?,31?,33-,34-,35-/m0/s1	C35H43NO10	637.717	11	3	173.37	5	13	1	-1.7525	3.08708000000001	4.1	1.087	138.4909	165.9803	4.7539	613.768067307912
Cond-001112	NPD1233	NPD1233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.10795176	COCCCN1C(/C(=C(\O)/c2ccc(C)o2)/C(=O)C1=O)c1ccc(OC)cc1	InChI=1S/C21H23NO6/c1-13-5-10-16(28-13)19(23)17-18(14-6-8-15(27-3)9-7-14)22(11-4-12-26-2)21(25)20(17)24/h5-10,18,23H,4,11-12H2,1-3H3/b19-17+	C21H23NO6	385.41	7	1	89.21	3	7	0	-1.3229	2.4653	3	3.051	61.2086	104.6768	2.8497	355.549210546735
Cond-001113	NPD1234	NPD1234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3298736245	CCOC(=O)C(CC)Oc1c(CC)cc2c(=O)c(c3nc4c(s3)cccc4)c(C)oc2c1	InChI=1S/C25H25NO5S/c1-5-15-12-16-20(13-19(15)31-18(6-2)25(28)29-7-3)30-14(4)22(23(16)27)24-26-17-10-8-9-11-21(17)32-24/h8-13,18H,5-7H2,1-4H3	C25H25NO5S	451.535	6	0	102.96	4	8	1	0.458200000000001	7.04345000000001	3.44	5.616	69.3022	131.6765	3.3235	405.922570304841
Cond-001114	NPD1235	NPD1235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.3124789775	COc1cccc2c1OC1(CCOC(C)(C)C1)N1N=C(CC21)c1c(Cl)cc(Cl)cc1	InChI=1S/C23H24Cl2N2O3/c1-22(2)13-23(9-10-29-22)27-19(16-5-4-6-20(28-3)21(16)30-23)12-18(26-27)15-8-7-14(24)11-17(15)25/h4-8,11,19H,9-10,12-13H2,1-3H3	C23H24Cl2N2O3	447.354	5	0	43.29	5	2	1	1.6139	6.44519	3.22	5.376	67.3776	120.767	3.1258	383.112936745019
Cond-001115	NPD1236	NPD1236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0474748931	COc1cc(OC)c(cc1OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C21H22N2O5/c1-26-16-10-18(28-3)17(27-2)9-13(16)20-19-12(8-15(23-20)21(24)25)11-6-4-5-7-14(11)22-19/h4-7,9-10,15,20,22-23H,8H2,1-3H3,(H,24,25)	C21H22N2O5	382.41	7	3	92.81	4	5	0	-1.3811	3.23688	3	2.44	47.3528	109.8415	2.7822	334.499285353541
Cond-001116	NPD1237	NPD1237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3587045313	COc1cc(OC)c(cc1)C1=NN2C(C1)c1c(OC32CCOC(C)(C)C3)cccc1	InChI=1S/C24H28N2O4/c1-23(2)15-24(11-12-29-23)26-20(18-7-5-6-8-21(18)30-24)14-19(25-26)17-10-9-16(27-3)13-22(17)28-4/h5-10,13,20H,11-12,14-15H2,1-4H3	C24H28N2O4	408.49	6	0	52.52	5	3	0	0.0734999999999986	5.14699000000001	3.44	4.951	63.4622	117.299	3.0806	378.77701253058
Cond-001117	NPD1238	NPD1238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1722633046	FC(F)(F)c1ccc(Cl)c(NC(=S)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)c1	InChI=1S/C19H17ClF3N3OS/c20-14-5-4-13(19(21,22)23)7-15(14)24-18(28)25-8-11-6-12(10-25)16-2-1-3-17(27)26(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,24,28)/t11-,12?/m0/s1	C19H17ClF3N3OS	427.871	4	1	67.67	4	4	0	1.3461	4.63486	2.56	4.275	81.9226	106.9487	2.7474	352.102396587482
Cond-001118	NPD1239	NPD1239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1310971071	COc1cc(cc(OC)c1OC)C(=O)Oc1c(Cl)cc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C22H19ClO7/c1-26-18-7-11(8-19(27-2)20(18)28-3)21(24)30-17-10-16-14(9-15(17)23)12-5-4-6-13(12)22(25)29-16/h7-10H,4-6H2,1-3H3	C22H19ClO7	430.835	7	0	80.29	4	6	0	0.3201	5.41147	3	3.411	60.6672	116.058	2.9203	370.856812033829
Cond-001119	NPD124	NPD124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7671113621	CC(=O)N[C@H]1[C@H](OC2CCCCC2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C20H31NO9/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)30-20(17)29-15-8-6-5-7-9-15/h15-20H,5-10H2,1-4H3,(H,21,22)/t16-,17-,18-,19-,20-/m1/s1	C20H31NO9	429.461	10	1	126.46	2	11	1	-2.7249	1.22569	2.56	1.363	90.6896	105.2077	3.1655	409.326199526552
Cond-001120	NPD1240	NPD1240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1377977485	CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)Cc4ccccc4)cc1c23	InChI=1S/C22H19NO4/c1-13-12-22(2,3)23-19-16(13)10-15(11-17(19)20(25)21(23)26)27-18(24)9-14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3	C22H19NO4	361.391	5	0	63.68	4	4	1	0.553399999999999	3.87227	3.33	5.035	51.997	104.153	2.6786	337.63536566908
Cond-001121	NPD1241	NPD1241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2744961779	CC(C)C[C@H](NC(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C22H27NO6/c1-12(2)10-17(21(25)26)23-19(24)11-28-18-9-8-15-14-6-4-5-7-16(14)22(27)29-20(15)13(18)3/h8-9,12,17H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)/t17-/m0/s1	C22H27NO6	401.453	7	2	101.93	3	8	0	-0.3828	4.06299000000001	3.11	3.509	78.1105	112.1905	3.0336	386.381653873402
Cond-001122	NPD1242	NPD1242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8791368651	CCOc1c(OCC)cc2C(OC(=O)Cc2c1)c1ccc(OC)c(OC)c1	InChI=1S/C21H24O6/c1-5-25-18-10-14-11-20(22)27-21(15(14)12-19(18)26-6-2)13-7-8-16(23-3)17(9-13)24-4/h7-10,12,21H,5-6,11H2,1-4H3	C21H24O6	372.412	6	0	63.22	3	7	0	0.186900000000001	3.56599	3.11	3.207	52.0896	101.503	2.7929	347.188909039369
Cond-001123	NPD1243	NPD1243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6257321553	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(OC)cc1)C2=O)c1ccc(OC)cc1	InChI=1S/C29H27N3O4/c1-35-20-11-7-18(8-12-20)16-31-17-26(33)32-25(29(31)34)15-23-22-5-3-4-6-24(22)30-27(23)28(32)19-9-13-21(36-2)14-10-19/h3-14,25,28,30H,15-17H2,1-2H3/t25-,28?/m1/s1	C29H27N3O4	481.542	7	1	74.87	6	5	0	-2.1289	3.53008000000001	3.88	4.581	53.6749	138.14	3.56130000000001	428.91494366328
Cond-001124	NPD1244	NPD1244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1580462623	Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)O)cc2oc1=O	InChI=1S/C17H18N2O7/c1-9-10(2)17(24)26-13-5-11(3-4-12(9)13)25-8-15(21)18-6-14(20)19-7-16(22)23/h3-5H,6-8H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)	C17H18N2O7	362.334	9	3	131.03	2	9	0	-0.999400000000001	0.829480000000001	2.34	0.0200000000000002	62.5817	94.7992	2.5532	329.408717652796
Cond-001125	NPD1245	NPD1245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.1741682975	COc1cc2c(cc1OC)c(ncc2)/C(=N/OC(=O)c1cccc(Br)c1)/c1cc(OC)c(OC)cc1	InChI=1S/C27H23BrN2O6/c1-32-21-9-8-17(14-22(21)33-2)25(30-36-27(31)18-6-5-7-19(28)12-18)26-20-15-24(35-4)23(34-3)13-16(20)10-11-29-26/h5-15H,1-4H3/b30-25+	C27H23BrN2O6	551.385	8	0	88.47	4	9	1	0.484899999999999	5.75918	3.44	5.914	50.7571	144.769	3.6463	442.266745282869
Cond-001126	NPD1246	NPD1246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.148620573	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1Br)ncc2	InChI=1S/C20H20BrNO4/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21/h5-6,8-11H,7H2,1-4H3	C20H20BrNO4	418.281	5	0	49.81	3	6	0	1.0028	4.8948	3	3.797	42.6169	105.185	2.7664	329.056391497313
Cond-001127	NPD1247	NPD1247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7710394827	CC(C)C(=O)NC(N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C17H22Cl3N3O2/c1-10(2)15(25)21-16(17(18,19)20)22-7-11-6-12(9-22)13-4-3-5-14(24)23(13)8-11/h3-5,10-12,16H,6-9H2,1-2H3,(H,21,25)/t11-,12+,16?/m1/s1	C17H22Cl3N3O2	406.734	5	1	52.65	3	5	0	1.1654	2.77517	2.45	2.044	101.4815	101.8677	2.7901	351.176923771857
Cond-001128	NPD1248	NPD1248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3775439293	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(F)cc1)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C27H21FN4O4/c28-18-10-8-16(9-11-18)14-30-15-24(33)31-23(27(30)34)13-21-20-6-1-2-7-22(20)29-25(21)26(31)17-4-3-5-19(12-17)32(35)36/h1-12,23,26,29H,13-15H2/t23-,26?/m1/s1	C27H21FN4O4	484.478	8	1	99.55	6	4	1	-0.8855	3.41918000000001	3.44	5.315	43.8058	133.522	3.354	408.75083476922
Cond-001129	NPD1249	NPD1249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0320819442	COc1ccc(NC(=O)C23CCC(C)(C(=O)[C@H]2Br)C3(C)C)cc1	InChI=1S/C18H22BrNO3/c1-16(2)17(3)9-10-18(16,13(19)14(17)21)15(22)20-11-5-7-12(23-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,20,22)/t13-,17?,18?/m1/s1	C18H22BrNO3	380.276	4	1	55.4	3	4	0	0.7227	4.62658	2.89	3.165	66.1238	96.3867	2.5549	315.383571647418
Cond-001130	NPD125	NPD125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5770143402	OCC1OC(Oc2cc(O)c(cc2)c2n[nH]cc2c2cc3c(OCCO3)cc2)C(O)C(O)C1O	InChI=1S/C23H24N2O9/c26-10-18-20(28)21(29)22(30)23(34-18)33-12-2-3-13(15(27)8-12)19-14(9-24-25-19)11-1-4-16-17(7-11)32-6-5-31-16/h1-4,7-9,18,20-23,26-30H,5-6,10H2,(H,24,25)	C23H24N2O9	472.445	11	6	166.75	5	5	1	-3.3729	0.885480000000005	2.78	0.802	53.5051	123.1902	3.19020000000001	391.895702706719
Cond-001131	NPD1250	NPD1250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.1712325458	CC12CCC(C(=O)Nc3ccc(cc3)/N=N/c3ccccc3)(C(=O)C1=O)C2(C)C	InChI=1S/C23H23N3O3/c1-21(2)22(3)13-14-23(21,19(28)18(22)27)20(29)24-15-9-11-17(12-10-15)26-25-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,24,29)/b26-25+	C23H23N3O3	389.447	6	1	87.96	4	5	1	-0.221000000000001	5.73667000000001	3.33	5.999	52.2321	113.5597	2.9604	368.134644010719
Cond-001132	NPD1251	NPD1251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0288447601	CCOCCOC(=O)COc1ccc2c(=O)c(coc2c1)c1ccccc1Cl	InChI=1S/C21H19ClO6/c1-2-25-9-10-26-20(23)13-27-14-7-8-16-19(11-14)28-12-17(21(16)24)15-5-3-4-6-18(15)22/h3-8,11-12H,2,9-10,13H2,1H3	C21H19ClO6	402.825	6	0	71.06	3	9	0	-0.1476	4.96746	3	4.2	54.4277	110.0795	2.8293	357.127059408202
Cond-001133	NPD1252	NPD1252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6794356814	CC(=O)NC(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C15H18Cl3N3O2/c1-9(22)19-14(15(16,17)18)20-6-10-5-11(8-20)12-3-2-4-13(23)21(12)7-10/h2-4,10-11,14H,5-8H2,1H3,(H,19,22)/t10-,11-,14?/m0/s1	C15H18Cl3N3O2	378.681	5	1	52.65	3	4	0	0.440999999999999	2.13907	2.23	1.498	91.8193	92.7037	2.5083	316.584954520123
Cond-001134	NPD1253	NPD1253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.9659370923	COc1ccc(cc1)C(=O)O/N=C(\c1cc(OC)c(OC)cc1)/c1nccc2c1cc(OC)c(OC)c2	InChI=1S/C28H26N2O7/c1-32-20-9-6-17(7-10-20)28(31)37-30-26(19-8-11-22(33-2)23(15-19)34-3)27-21-16-25(36-5)24(35-4)14-18(21)12-13-29-27/h6-16H,1-5H3/b30-26+	C28H26N2O7	502.515	9	0	97.7	4	10	1	-0.4557	5.00528	3.55	5.036	49.4738	143.621	3.6709	449.06933763173
Cond-001135	NPD1254	NPD1254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7982785792	COc1ccc(cc1)C(=O)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1	InChI=1S/C25H20O6/c1-15-4-5-16(2)21(12-15)31-23-14-29-22-13-19(10-11-20(22)24(23)26)30-25(27)17-6-8-18(28-3)9-7-17/h4-14H,1-3H3	C25H20O6	416.423	6	0	71.06	4	6	1	0.0690999999999997	5.9176	3.55	6.771	42.0839	120.9865	3.0329	379.934095338035
Cond-001136	NPD1255	NPD1255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.2978438048	CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc1=O	InChI=1S/C23H21BrO6/c1-3-28-22(26)11-10-19-14(2)18-9-8-17(12-21(18)30-23(19)27)29-13-20(25)15-4-6-16(24)7-5-15/h4-9,12H,3,10-11,13H2,1-2H3	C23H21BrO6	473.313	6	0	78.9	3	9	0	1.2554	5.29857000000001	3.22	4.602	65.4952	118.7475	3.1207	393.155121166269
Cond-001137	NPD1256	NPD1256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.3551077137	COC(=O)CC[C@H](NC(=O)Nc1cc2c(oc3ccccc23)cc1OC)C(=O)OC	InChI=1S/C21H22N2O7/c1-27-18-11-17-13(12-6-4-5-7-16(12)30-17)10-15(18)23-21(26)22-14(20(25)29-3)8-9-19(24)28-2/h4-7,10-11,14H,8-9H2,1-3H3,(H2,22,23,26)/t14-/m0/s1	C21H22N2O7	414.409	9	2	116.1	3	11	1	-1.2215	3.33507	2.78	2.53	53.6379	114.7404	2.9652	361.799738754663
Cond-001138	NPD1257	NPD1257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.614712598	[C@@H]12Cc3c(CN1C(=O)CN(Cc1ccc(OC)cc1)C2=O)[nH]c1c3cccc1	InChI=1S/C22H21N3O3/c1-28-15-8-6-14(7-9-15)11-24-13-21(26)25-12-19-17(10-20(25)22(24)27)16-4-2-3-5-18(16)23-19/h2-9,20,23H,10-13H2,1H3/t20-/m0/s1	C22H21N3O3	375.42	6	1	65.64	5	3	0	-2.0151	1.95038	3.22	2.713	47.6734	107.956	2.7539	330.218659384852
Cond-001139	NPD1258	NPD1258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0837883451	[C@H]12Cc3c([nH]c4ccccc34)C(C)(C)N1C(=O)N(C2=O)c1cc2c(oc3ccccc23)cc1OC	InChI=1S/C28H23N3O4/c1-28(2)25-18(15-8-4-6-10-19(15)29-25)13-21-26(32)30(27(33)31(21)28)20-12-17-16-9-5-7-11-22(16)35-23(17)14-24(20)34-3/h4-12,14,21,29H,13H2,1-3H3/t21-/m1/s1	C28H23N3O4	465.5	7	1	78.78	7	2	1	-0.878100000000002	5.33786000000001	3.77	5.252	49.0752	139.946	3.3118	388.362500336613
Cond-001140	NPD1259	NPD1259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0097847358	COc1ccc(cc1)/N=N/c1c(O)c2c(C)oc(C)c2c(=O)cc1c1ccc(OC)cc1	InChI=1S/C25H22N2O5/c1-14-22-21(28)13-20(16-5-9-18(30-3)10-6-16)24(25(29)23(22)15(2)32-14)27-26-17-7-11-19(31-4)12-8-17/h5-13,29H,1-4H3/b27-26+	C25H22N2O5	430.453	7	1	93.62	4	5	1	-0.0191000000000007	5.17941	3.44	5.909	53.3369	122.7558	3.1738	393.137389053808
Cond-001141	NPD126	NPD126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.4041813577	CCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC(=C(C)C45)CCC(C)CNC(=O)C)C3CC=C2C1	InChI=1S/C35H55NO4/c1-7-8-9-10-32(38)39-26-15-17-34(5)25(19-26)12-13-27-28(34)16-18-35(6)29(27)20-31-33(35)23(3)30(40-31)14-11-22(2)21-36-24(4)37/h12,22,26-29,31,33H,7-11,13-21H2,1-6H3,(H,36,37)/t22?,26?,27?,28?,29?,31?,33?,34-,35-/m0/s1	C35H55NO4	553.815	5	1	64.63	5	12	2	0.158600000000002	7.97887	4.76	7.962	153.1834	161.9557	4.6597	587.745459309346
Cond-001142	NPD1260	NPD1260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.3562352032	CC(C)C(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(=O)C)C3CCC2=C1)C(=O)O	InChI=1S/C28H42N2O6/c1-16(2)24(25(33)34)29-23(32)15-36-30-19-8-11-26(4)18(14-19)6-7-20-21(26)9-12-27(5)22(20)10-13-28(27,35)17(3)31/h14,16,20-22,24,35H,6-13,15H2,1-5H3,(H,29,32)(H,33,34)/b30-19+/t20?,21?,22?,24?,26-,27-,28-/m0/s1	C28H42N2O6	502.643	8	3	125.29	4	8	0	-0.3398	4.17707000000001	3.66	3.608	132.8434	140.2563	3.9562	504.97078053757
Cond-001143	NPD1262	NPD1262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7234381794	COc1cc2c(cc1OC)C(NCC2)c1c(O)[nH]c(=O)n(c1=O)c1ccc(Br)cc1	InChI=1S/C21H20BrN3O5/c1-29-15-9-11-7-8-23-18(14(11)10-16(15)30-2)17-19(26)24-21(28)25(20(17)27)13-5-3-12(22)4-6-13/h3-6,9-10,18,23,26H,7-8H2,1-2H3,(H,24,28)	C21H20BrN3O5	474.305	8	3	100.13	4	4	0	-0.00440000000000051	2.88927	2.78	2.913	63.3938	116.0382	3.014	373.043205838474
Cond-001144	NPD1263	NPD1263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.220659999	CC(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1)C(=O)O	InChI=1S/C24H36N2O5/c1-14(22(29)30)25-21(28)13-31-26-16-8-10-23(2)15(12-16)4-5-17-18-6-7-20(27)24(18,3)11-9-19(17)23/h12,14,17-20,27H,4-11,13H2,1-3H3,(H,25,28)(H,29,30)/b26-16+/t14?,17?,18?,19?,20?,23-,24-/m0/s1	C24H36N2O5	432.553	7	3	108.22	4	6	0	-0.916600000000001	3.58177	3.33	3.553	113.2586	121.4683	3.3769	429.633074034342
Cond-001145	NPD1264	NPD1264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8694387198	CCOC(=O)c1ccc(NC(=S)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C21H23N3O3S/c1-2-27-20(26)15-6-8-17(9-7-15)22-21(28)23-11-14-10-16(13-23)18-4-3-5-19(25)24(18)12-14/h3-9,14,16H,2,10-13H2,1H3,(H,22,28)/t14-,16?/m0/s1	C21H23N3O3S	397.491	6	1	93.97	4	6	0	-0.234699999999998	2.61487	3	3.046	86.1546	113.2067	2.9281	368.224616218185
Cond-001146	NPD1265	NPD1265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4911937378	COc1cc2c(cc1OC)C(NCC2)c1c(O)[nH]c(=S)n(CC=C)c1=O	InChI=1S/C18H21N3O4S/c1-4-7-21-17(23)14(16(22)20-18(21)26)15-11-9-13(25-3)12(24-2)8-10(11)5-6-19-15/h4,8-9,15,19,22H,1,5-7H2,2-3H3,(H,20,26)	C18H21N3O4S	375.442	7	3	115.15	3	5	0	0.725	1.30807	2.56	1.654	77.645	103.2172	2.7157	340.119806442746
Cond-001147	NPD1266	NPD1266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.370594659	Clc1ccc(cc1)C(=O)NC(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C21H20Cl4N4O2S/c22-15-6-4-13(5-7-15)18(31)26-19(21(23,24)25)27-20(32)28-9-12-8-14(11-28)16-2-1-3-17(30)29(16)10-12/h1-7,12,14,19H,8-11H2,(H,26,31)(H,27,32)/t12-,14-,19?/m0/s1	C21H20Cl4N4O2S	534.286	6	2	96.77	4	7	0	1.4336	3.96087	2.56	4.452	107.046	133.5389	3.4588	431.275420807524
Cond-001148	NPD1267	NPD1267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8116747741	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)N1C(=O)CN(CCc1ccccc1)C2=O	InChI=1S/C23H23N3O2/c1-15-22-18(17-9-5-6-10-19(17)24-22)13-20-23(28)25(14-21(27)26(15)20)12-11-16-7-3-2-4-8-16/h2-10,15,20,24H,11-14H2,1H3/t15?,20-/m0/s1	C23H23N3O2	373.448	5	1	56.41	5	3	1	-1.7184	2.88318	3.44	5.03	49.3938	111.716	2.8361	338.724417310158
Cond-001149	NPD1268	NPD1268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.961781901	COc1cc2c(cc1OC)[C@H](C)N(CC2)C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1	InChI=1S/C21H27N3O5S/c1-11(2)18-19(26)22-21(23-20(18)27)30-10-17(25)24-7-6-13-8-15(28-4)16(29-5)9-14(13)12(24)3/h8-9,11-12H,6-7,10H2,1-5H3,(H2,22,23,26,27)/t12-/m0/s1	C21H27N3O5S	433.521	8	2	125.76	3	7	0	0.574900000000001	2.61308	2.78	1.741	90.2153	118.1015	3.1971	400.797987020908
Cond-001150	NPD1269	NPD1269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6265159202	CC1(C)C2(C)CCC1([C@H](Br)C2=O)C(=O)Nc1ccccc1Cl	InChI=1S/C17H19BrClNO2/c1-15(2)16(3)8-9-17(15,12(18)13(16)21)14(22)20-11-7-5-4-6-10(11)19/h4-7,12H,8-9H2,1-3H3,(H,20,22)/t12-,16?,17?/m1/s1	C17H19BrClNO2	384.695	3	1	46.17	3	3	0	1.5188	5.27138	2.78	3.705	64.4236	94.8447	2.4777	304.508428091423
Cond-001151	NPD1270	NPD1270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5798669711	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)c1cc(C)ccc1)C(Cl)(Cl)Cl	InChI=1S/C20H27Cl3N2O2/c1-14-6-4-7-15(12-14)18(26)24-19(20(21,22)23)27-13-16-8-5-11-25-10-3-2-9-17(16)25/h4,6-7,12,16-17,19H,2-3,5,8-11,13H2,1H3,(H,24,26)/t16-,17+,19?/m0/s1	C20H27Cl3N2O2	433.8	4	1	41.57	3	7	1	0.4686	4.39021	2.89	6.091	78.0127	112.5357	3.113	381.168117441291
Cond-001152	NPD1271	NPD1271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4432043291	CC12CCC([C@H](Br)C1=O)(C(=O)Nc1ccc(Br)cn1)C2(C)C	InChI=1S/C16H18Br2N2O2/c1-14(2)15(3)6-7-16(14,11(18)12(15)21)13(22)20-10-5-4-9(17)8-19-10/h4-5,8,11H,6-7H2,1-3H3,(H,19,20,22)/t11-,15?,16?/m1/s1	C16H18Br2N2O2	430.134	4	1	59.06	3	3	0	1.6633	4.77548	2.56	3.147	67.4071	95.3297	2.4892	302.281754880857
Cond-001153	NPD1273	NPD1273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.505870416	COc1cc2c(cc1OC)c1c(c(cn1cc2)c1ccc(Cl)cc1)c1cc(OC)c(OC)cc1	InChI=1S/C28H24ClNO4/c1-31-23-10-7-19(14-24(23)32-2)27-22(17-5-8-20(29)9-6-17)16-30-12-11-18-13-25(33-3)26(34-4)15-21(18)28(27)30/h5-16H,1-4H3	C28H24ClNO4	473.947	5	0	41.33	5	6	1	0.550299999999999	8.11708	3.88	5.741	37.7768	141.863	3.45180000000001	406.292965092313
Cond-001154	NPD1274	NPD1274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6101694915	CCCCc1cc(=O)oc2c(CNC(C(C)CC)C(=O)O)c(O)ccc12	InChI=1S/C20H27NO5/c1-4-6-7-13-10-17(23)26-19-14(13)8-9-16(22)15(19)11-21-18(20(24)25)12(3)5-2/h8-10,12,18,21-22H,4-7,11H2,1-3H3,(H,24,25)	C20H27NO5	361.432	6	3	95.86	2	9	0	-1.7572	4.11147000000001	3	4.06	70.3669	105.1335	2.8447	357.992375322708
Cond-001155	NPD1275	NPD1275	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6353094651	CCC1C/C(=C\c2ccc(OC)cc2)/C(=O)/C(=C/c2ccc(OC)cc2)/C1	InChI=1S/C24H26O3/c1-4-17-13-20(15-18-5-9-22(26-2)10-6-18)24(25)21(14-17)16-19-7-11-23(27-3)12-8-19/h5-12,15-17H,4,13-14H2,1-3H3/b20-15+,21-16+	C24H26O3	362.461	3	0	35.53	3	5	1	0.276599999999999	5.42837	3.77	6.57	59.2969	111.083	2.9535	367.433265413686
Cond-001156	NPD1276	NPD1276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0507296734	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccccc1)C2=O)c1ccc(OC)cc1	InChI=1S/C28H25N3O3/c1-34-20-13-11-19(12-14-20)27-26-22(21-9-5-6-10-23(21)29-26)15-24-28(33)30(17-25(32)31(24)27)16-18-7-3-2-4-8-18/h2-14,24,27,29H,15-17H2,1H3/t24-,27?/m1/s1	C28H25N3O3	451.516	6	1	65.64	6	4	1	-2.0771	3.52148000000001	3.88	5.658	46.3591	131.588	3.36170000000001	402.828732336853
Cond-001157	NPD1278	NPD1278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.0521195274	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCCCCC)C2=O)c1ccc(OC)cc1	InChI=1S/C27H31N3O3/c1-3-4-5-8-15-29-17-24(31)30-23(27(29)32)16-21-20-9-6-7-10-22(20)28-25(21)26(30)18-11-13-19(33-2)14-12-18/h6-7,9-14,23,26,28H,3-5,8,15-17H2,1-2H3/t23-,26?/m1/s1	C27H31N3O3	445.553	6	1	65.64	5	7	1	-3.1778	4.24108000000001	3.77	5.238	63.9042	131.207	3.4584	416.698582514186
Cond-001158	NPD128	NPD128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3671437461	O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C23H21NO6/c25-21(11-12-24-23(27)28-14-15-5-2-1-3-6-15)29-16-9-10-18-17-7-4-8-19(17)22(26)30-20(18)13-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14H2,(H,24,27)	C23H21NO6	407.416	7	1	90.93	4	9	0	-0.2948	3.52428	3.22	4.943	55.8706	111.8887	2.9369	372.511803696069
Cond-001159	NPD1280	NPD1280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2502295019	COc1cc2c(cc1OC)c(ncc2)/C(=N/OC(=O)c1ccc(C)cc1)/c1cc(OC)c(OC)cc1	InChI=1S/C28H26N2O6/c1-17-6-8-18(9-7-17)28(31)36-30-26(20-10-11-22(32-2)23(15-20)33-3)27-21-16-25(35-5)24(34-4)14-19(21)12-13-29-27/h6-16H,1-5H3/b30-26+	C28H26N2O6	486.516	8	0	88.47	4	9	1	0.238099999999999	5.0247	3.66	6.436	47.6601	140.709	3.6122	440.279110931169
Cond-001160	NPD1281	NPD1281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.9356696118	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCC(C)C)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C25H26N4O4/c1-15(2)10-11-27-14-22(30)28-21(25(27)31)13-19-18-8-3-4-9-20(18)26-23(19)24(28)16-6-5-7-17(12-16)29(32)33/h3-9,12,15,21,24,26H,10-11,13-14H2,1-2H3/t21-,24?/m1/s1	C25H26N4O4	446.498	8	1	99.55	5	5	0	-1.0803	3.46548000000001	3.33	4.939	60.1127	128.496	3.2921	399.25714147038
Cond-001161	NPD1282	NPD1282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9232634259	OC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccccc1	InChI=1S/C23H20N2O5/c26-17-12-10-15(11-13-17)14-20(23(29)30)25-22(28)18-8-4-5-9-19(18)24-21(27)16-6-2-1-3-7-16/h1-13,20,26H,14H2,(H,24,27)(H,25,28)(H,29,30)	C23H20N2O5	404.415	7	4	115.73	3	9	1	-2.0644	3.30409	3.22	5.61	32.8551	114.781	3.0006	370.901878502874
Cond-001162	NPD1283	NPD1283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3115258612	CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)O)ccc12	InChI=1S/C18H20N2O7/c1-2-3-11-6-18(25)27-14-7-12(4-5-13(11)14)26-10-16(22)19-8-15(21)20-9-17(23)24/h4-7H,2-3,8-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)	C18H20N2O7	376.361	9	3	131.03	2	11	1	-2.3688	1.03687	2.45	0.872	66.3982	98.3542	2.6941	346.704702278663
Cond-001163	NPD1284	NPD1284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.1138319796	CCOc1ccc(cc1)C1=CC(c2cc(OC)ccc2)c2ccccc2O1	InChI=1S/C24H22O3/c1-3-26-19-13-11-17(12-14-19)24-16-22(18-7-6-8-20(15-18)25-2)21-9-4-5-10-23(21)27-24/h4-16,22H,3H2,1-2H3	C24H22O3	358.43	3	0	27.69	4	5	1	0.0121999999999995	6.01539	3.77	7.229	33.9151	107.833	2.8019	341.540348012085
Cond-001164	NPD1285	NPD1285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.7774682761	CCCCCCc1c(C)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)c2oc1=O	InChI=1S/C27H32O7/c1-7-8-9-10-11-20-16(2)19-12-13-21(17(3)24(19)34-27(20)29)33-26(28)18-14-22(30-4)25(32-6)23(15-18)31-5/h12-15H,7-11H2,1-6H3	C27H32O7	468.539	7	0	80.29	3	11	2	-0.0153000000000018	6.14641000000001	3.66	6.148	75.8239	133.475	3.611	454.48212609353
Cond-001165	NPD1286	NPD1286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.872590617	CC(C)OC(=O)C1C(C(C(=O)OC(C)C)C(C)(O)CC1=O)c1cc(O)ccc1	InChI=1S/C21H28O7/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-7-6-8-14(22)9-13/h6-9,11-12,16-18,22,26H,10H2,1-5H3	C21H28O7	392.443	7	2	110.13	2	7	0	-1.4931	2.56909	3	2.544	77.0568	103.7746	3.0032	381.87205314153
Cond-001166	NPD1287	NPD1287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0625434329	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)c1c2ccccc2ccc1)C(Cl)(Cl)Cl	InChI=1S/C23H27Cl3N2O2/c24-23(25,26)22(30-15-17-9-6-14-28-13-4-3-12-20(17)28)27-21(29)19-11-5-8-16-7-1-2-10-18(16)19/h1-2,5,7-8,10-11,17,20,22H,3-4,6,9,12-15H2,(H,27,29)/t17-,20+,22?/m0/s1	C23H27Cl3N2O2	469.832	4	1	41.57	4	7	1	-0.173399999999999	5.51539	3.22	7.644	72.5106	126.4017	3.3411	404.526695216491
Cond-001167	NPD1288	NPD1288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5055097786	CCC(=O)NC(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C16H20Cl3N3O2/c1-2-13(23)20-15(16(17,18)19)21-7-10-6-11(9-21)12-4-3-5-14(24)22(12)8-10/h3-5,10-11,15H,2,6-9H2,1H3,(H,20,23)/t10-,11-,15?/m0/s1	C16H20Cl3N3O2	392.708	5	1	52.65	3	5	0	0.5172	2.52917	2.34	1.751	96.8428	97.3207	2.6492	333.88093914599
Cond-001168	NPD1290	NPD1290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6112379629	Cc1cc(OCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C27H26N2O6/c1-15-10-22(25-18-7-2-3-8-19(18)27(33)35-23(25)11-15)34-14-24(30)29-21(26(31)32)12-16-13-28-20-9-5-4-6-17(16)20/h4-6,9-11,13,21,28H,2-3,7-8,12,14H2,1H3,(H,29,30)(H,31,32)/t21-/m0/s1	C27H26N2O6	474.505	8	3	117.72	5	8	0	-1.5693	4.10868000000001	3.55	4.149	67.5563	133.8845	3.4487	426.799585006102
Cond-001169	NPD1291	NPD1291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9694232106	CSCC[C@H](NC(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C21H25NO6S/c1-12-17(27-11-18(23)22-16(20(24)25)9-10-29-2)8-7-14-13-5-3-4-6-15(13)21(26)28-19(12)14/h7-8,16H,3-6,9-11H2,1-2H3,(H,22,23)(H,24,25)/t16-/m0/s1	C21H25NO6S	419.491	7	2	127.23	3	9	0	-0.794799999999998	3.76999	2.89	3.045	80.5049	115.7345	3.0562	387.594693305135
Cond-001170	NPD1292	NPD1292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	60.5111851959	COc1cc2c(cc1OC)c(ncc2)/C(=N\OC(=O)c1ccc(Cl)cc1)/c1cc(OC)c(OC)cc1	InChI=1S/C27H23ClN2O6/c1-32-21-10-7-18(14-22(21)33-2)25(30-36-27(31)16-5-8-19(28)9-6-16)26-20-15-24(35-4)23(34-3)13-17(20)11-12-29-26/h5-15H,1-4H3/b30-25-	C27H23ClN2O6	506.934	8	0	88.47	4	9	1	0.340399999999999	5.65008	3.44	5.576	47.7736	142.079	3.59370000000001	438.194194075736
Cond-001171	NPD1293	NPD1293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.013335266	[C@@H]1(N2C=Cc3c(cccc3)[C@@H]2[C@]2(C(=O)Nc3c2cccc3)[C@@H]1C(=O)c1cccc(OC)c1)C(=O)c1cc(Br)c(OC)cc1	InChI=1S/C35H27BrN2O5/c1-42-23-10-7-9-21(18-23)31(39)29-30(32(40)22-14-15-28(43-2)26(36)19-22)38-17-16-20-8-3-4-11-24(20)33(38)35(29)25-12-5-6-13-27(25)37-34(35)41/h3-19,29-30,33H,1-2H3,(H,37,41)/t29-,30-,33+,35+/m0/s1	C35H27BrN2O5	635.503	7	1	84.94	7	6	1	-1.1392	6.75817000000001	4.43	7.8	66.7853	168.0787	4.26000000000001	526.865643384441
Cond-001172	NPD1294	NPD1294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9659485754	[C@@H]12Cc3c([nH]c4c3cccc4)C(N1C(=O)CN(CCc1cc(OC)c(OC)cc1)C2=O)c1ccccc1	InChI=1S/C30H29N3O4/c1-36-25-13-12-19(16-26(25)37-2)14-15-32-18-27(34)33-24(30(32)35)17-22-21-10-6-7-11-23(21)31-28(22)29(33)20-8-4-3-5-9-20/h3-13,16,24,29,31H,14-15,17-18H2,1-2H3/t24-,29?/m0/s1	C30H29N3O4	495.569	7	1	74.87	6	6	1	-1.8733	3.91208000000001	3.99	5.572	58.1267	143.763	3.7022	446.210928289147
Cond-001173	NPD1295	NPD1295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1205005556	COc1cc2c(cc1OC)C(N(CC2)C(=O)C)c1c(O)n(c(=S)n(c1=O)c1ccccc1)c1ccccc1	InChI=1S/C29H27N3O5S/c1-18(33)30-15-14-19-16-23(36-2)24(37-3)17-22(19)26(30)25-27(34)31(20-10-6-4-7-11-20)29(38)32(28(25)35)21-12-8-5-9-13-21/h4-13,16-17,26,34H,14-15H2,1-3H3	C29H27N3O5S	529.607	8	1	114.64	5	6	1	-0.198600000000002	5.63056000000001	3.66	6.457	72.3515	151.5228	3.8491	476.834194421441
Cond-001174	NPD1296	NPD1296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6907254771	COCCN1C(C(=C(O)C1=O)C(=O)c1ccccc1)c1ccc(O)cc1	InChI=1S/C20H19NO5/c1-26-12-11-21-17(13-7-9-15(22)10-8-13)16(19(24)20(21)25)18(23)14-5-3-2-4-6-14/h2-10,17,22,24H,11-12H2,1H3	C20H19NO5	353.369	6	2	87.07	3	6	0	-1.7288	2.17038	3	4.169	46.1942	96.8376	2.6071	326.826540519507
Cond-001175	NPD1297	NPD1297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6463814157	Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2oc1=O	InChI=1S/C22H21NO6/c1-13-14(2)22(27)29-19-11-16(8-9-17(13)19)28-12-20(24)23-18(21(25)26)10-15-6-4-3-5-7-15/h3-9,11,18H,10,12H2,1-2H3,(H,23,24)(H,25,26)/t18-/m0/s1	C22H21NO6	395.405	7	2	101.93	3	8	0	-0.0557000000000001	3.14187	3.11	4.639	54.2044	109.7945	2.9046	367.572277771002
Cond-001176	NPD1298	NPD1298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	61.1535788742	C[C@]12N(CCc3c1[nH]c1ccccc31)C(=O)N(C2=O)c1cccc(Cl)c1	InChI=1S/C20H16ClN3O2/c1-20-17-15(14-7-2-3-8-16(14)22-17)9-10-23(20)19(26)24(18(20)25)13-6-4-5-12(21)11-13/h2-8,11,22H,9-10H2,1H3/t20-/m0/s1	C20H16ClN3O2	365.813	5	1	56.41	5	1	0	-0.0055000000000005	3.76867	3	3.758	40.9992	104.368	2.5358	302.047531202991
Cond-001177	NPD1299	NPD1299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9549290182	CCC(=O)NC(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C17H21Cl3N4O2S/c1-2-13(25)21-15(17(18,19)20)22-16(27)23-7-10-6-11(9-23)12-4-3-5-14(26)24(12)8-10/h3-5,10-11,15H,2,6-9H2,1H3,(H,21,25)(H,22,27)/t10-,11-,15?/m0/s1	C17H21Cl3N4O2S	451.798	6	2	96.77	3	7	0	0.775400000000001	2.40367	2.23	2.496	111.8783	113.0544	3.0104	378.046249336824
Cond-001178	NPD13	NPD13	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5762921696	CCN(CCC1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1	InChI=1S/C26H37NO2/c1-5-27(20-23-11-13-24(28-4)14-12-23)17-15-26(16-18-29-25(2,3)21-26)19-22-9-7-6-8-10-22/h6-14H,5,15-21H2,1-4H3	C26H37NO2	395.577	3	0	21.7	3	9	1	1.7077	5.88659000000001	3.99	8.182	70.6077	121.711	3.4054	412.141144275425
Cond-001179	NPD130	NPD130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8823895457	[C@H](CCC(=O)OCc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccc(cc1)C(=O)OC)co2	InChI=1S/C37H31NO11/c1-44-35(41)26-12-14-27(15-13-26)48-32-23-45-31-20-28(16-17-29(31)34(32)40)49-36(42)30(38-37(43)47-22-25-10-6-3-7-11-25)18-19-33(39)46-21-24-8-4-2-5-9-24/h2-17,20,23,30H,18-19,21-22H2,1H3,(H,38,43)/t30-/m1/s1	C37H31NO11	665.642	12	1	152.76	5	18	2	-1.7141	5.53946000000001	4.21	9.495	71.0448	177.7447	4.75040000000001	603.358593653806
Cond-001180	NPD1300	NPD1300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5032679739	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1(CCOC(C)(C)C1)c1ccccc1	InChI=1S/C40H55NO7/c1-36(2)26-39(21-23-48-36,27-8-6-5-7-9-27)20-22-41-34(44)12-13-35(45)47-25-33(43)40(46)19-16-32-30-11-10-28-24-29(42)14-17-37(28,3)31(30)15-18-38(32,40)4/h5-9,24,30-32,46H,10-23,25-26H2,1-4H3,(H,41,44)/t30?,31?,32?,37-,38-,39?,40-/m0/s1	C40H55NO7	661.867	8	2	119	6	12	2	0.374499999999993	6.33528000000001	4.98	7.194	156.2132	184.844499999999	5.25970000000001	666.79376903636
Cond-001181	NPD1301	NPD1301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.9845204272	CC(=O)NC(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C16H19Cl3N4O2S/c1-9(24)20-14(16(17,18)19)21-15(26)22-6-10-5-11(8-22)12-3-2-4-13(25)23(12)7-10/h2-4,10-11,14H,5-8H2,1H3,(H,20,24)(H,21,26)/t10-,11-,14?/m0/s1	C16H19Cl3N4O2S	437.772	6	2	96.77	3	6	0	0.6992	2.01357	2.12	2.243	106.8548	108.4374	2.8695	360.750264710957
Cond-001182	NPD1302	NPD1302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0018862305	CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N(C(C)C)C(=O)NC(C)C)ccc12	InChI=1S/C22H30N2O5/c1-8-16-11-19(25)29-20-14(6)18(10-9-17(16)20)28-15(7)21(26)24(13(4)5)22(27)23-12(2)3/h9-13,15H,8H2,1-7H3,(H,23,27)	C22H30N2O5	402.484	7	1	84.94	2	9	0	0.1166	4.65679000000001	3.11	4.385	87.283	116.2937	3.1833	400.944646081808
Cond-001183	NPD1303	NPD1303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.100594289	COc1c(OC)cc(CCNC(=O)/C(=C/c2cn(C)c3ccccc23)/NC(=O)c2ccccc2)cc1	InChI=1S/C29H29N3O4/c1-32-19-22(23-11-7-8-12-25(23)32)18-24(31-28(33)21-9-5-4-6-10-21)29(34)30-16-15-20-13-14-26(35-2)27(17-20)36-3/h4-14,17-19H,15-16H2,1-3H3,(H,30,34)(H,31,33)/b24-18-	C29H29N3O4	483.558	7	2	81.59	4	11	2	-0.969499999999999	4.51617000000001	3.88	6.391	56.9196	144.0644	3.73550000000001	450.99140236408
Cond-001184	NPD1304	NPD1304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8392532428	OC(=O)c1c(NC(=O)c2ccccc2)c2cc(Br)ccc2o1	InChI=1S/C16H10BrNO4/c17-10-6-7-12-11(8-10)13(14(22-12)16(20)21)18-15(19)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H,20,21)	C16H10BrNO4	360.159	5	2	79.54	3	4	0	-0.1399	4.04028	2.56	4.915	24.879	90.453	2.1598	257.235994293045
Cond-001185	NPD1305	NPD1305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.2552907106	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCc3ccc(C=C)cc3)ccc12	InChI=1S/C26H22O4/c1-4-18-5-7-19(8-6-18)16-29-24-14-13-22-23(15-25(27)30-26(22)17(24)2)20-9-11-21(28-3)12-10-20/h4-15H,1,16H2,2-3H3	C26H22O4	398.45	4	0	44.76	4	6	1	1.2296	5.88118	3.88	7.694	44.6115	121.406	3.0564	379.64962656278
Cond-001186	NPD1306	NPD1306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9858920349	CCCC(=O)NC(NC(=S)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C18H23Cl3N4O2S/c1-2-4-14(26)22-16(18(19,20)21)23-17(28)24-8-11-7-12(10-24)13-5-3-6-15(27)25(13)9-11/h3,5-6,11-12,16H,2,4,7-10H2,1H3,(H,22,26)(H,23,28)/t11-,12?,16?/m0/s1	C18H23Cl3N4O2S	465.825	6	2	96.77	3	8	0	0.4874	2.79377	2.34	3.065	114.7899	117.6714	3.1513	395.342233962691
Cond-001187	NPD1307	NPD1307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.280378799	COc1cc2c(cc1OC)[C@H](C)N(CC2)C(=O)CSc1nc(O)cc(=O)n1c1ccccc1	InChI=1S/C24H25N3O5S/c1-15-18-12-20(32-3)19(31-2)11-16(18)9-10-26(15)23(30)14-33-24-25-21(28)13-22(29)27(24)17-7-5-4-6-8-17/h4-8,11-13,15,28H,9-10,14H2,1-3H3/t15-/m0/s1	C24H25N3O5S	467.537	8	1	116.97	4	7	0	0.0908999999999991	3.92866	3.11	3.277	77.0925	131.3448	3.3822	421.520106095308
Cond-001188	NPD1308	NPD1308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.14481409	COc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(O)c1/N=N/c1ccc(cc1)N(=O)=O	InChI=1S/C24H19N3O6/c1-13-21-20(28)12-19(15-4-10-18(32-3)11-5-15)23(24(29)22(21)14(2)33-13)26-25-16-6-8-17(9-7-16)27(30)31/h4-12,29H,1-3H3/b26-25+	C24H19N3O6	445.424	9	1	127.53	4	5	1	0.6928	4.93801	3.11	6.24	49.9111	124.7318	3.1484	392.991932635869
Cond-001189	NPD1309	NPD1309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9299309007	C[C@@]12C[C@H](C(C(=O)Nc3ccccc3)C(=O)N1CC=C)c1ccccc1O2	InChI=1S/C22H22N2O3/c1-3-13-24-21(26)19(20(25)23-15-9-5-4-6-10-15)17-14-22(24,2)27-18-12-8-7-11-16(17)18/h3-12,17,19H,1,13-14H2,2H3,(H,23,25)/t17-,19?,22+/m0/s1	C22H22N2O3	362.422	5	1	58.64	4	5	0	-0.5567	4.81296	3.33	4.595	51.2071	108.5817	2.7627	342.478357877485
Cond-001190	NPD131	NPD131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.303265026	CCCCCCc1c(OC(=O)C2CCC(CNS(=O)(=O)c3ccc(C)cc3)CC2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C33H41NO6S/c1-3-4-5-6-8-25-19-29-27-9-7-10-28(27)33(36)40-31(29)20-30(25)39-32(35)24-15-13-23(14-16-24)21-34-41(37,38)26-17-11-22(2)12-18-26/h11-12,17-20,23-24,34H,3-10,13-16,21H2,1-2H3	C33H41NO6S	579.747	7	1	107.15	5	12	2	-1.0184	7.95087	4.21	8.239	101.1022	159.0467	4.4438	554.260674012335
Cond-001191	NPD1310	NPD1310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.1415929204	C=CCN1C(=O)C(C2C3CCCC[C@@]13Oc1ccccc21)C(=O)Nc1ccccc1	InChI=1S/C25H26N2O3/c1-2-16-27-24(29)22(23(28)26-17-10-4-3-5-11-17)21-18-12-6-7-14-20(18)30-25(27)15-9-8-13-19(21)25/h2-7,10-12,14,19,21-22H,1,8-9,13,15-16H2,(H,26,28)/t19?,21?,22?,25-/m0/s1	C25H26N2O3	402.486	5	1	58.64	5	5	1	-1.8747	5.59316000000001	3.66	5.479	57.0528	120.2487	3.0768	382.009853054286
Cond-001192	NPD1311	NPD1311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.6733826158	CCCOC(=O)c1cc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)ccc1	InChI=1S/C21H27NO4/c1-5-11-26-17(24)14-7-6-8-15(12-14)22-18(25)21-10-9-20(4,16(23)13-21)19(21,2)3/h6-8,12H,5,9-11,13H2,1-4H3,(H,22,25)	C21H27NO4	357.443	5	1	72.47	3	7	0	-0.238600000000002	3.94579000000001	3.22	3.333	71.2495	101.8457	2.8183	354.141674547213
Cond-001193	NPD1312	NPD1312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0613407686	Clc1ccc(cc1)C(=O)N/N=C/1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c1cc(Br)cc2	InChI=1S/C27H23BrClN5O3/c28-19-6-9-23-21(11-19)25(30-31-26(36)17-4-7-20(29)8-5-17)27(37)34(23)15-32-12-16-10-18(14-32)22-2-1-3-24(35)33(22)13-16/h1-9,11,16,18H,10,12-15H2,(H,31,36)/b30-25-/t16-,18-/m0/s1	C27H23BrClN5O3	580.86	8	1	85.32	6	5	0	-0.4911	4.38806	3.33	4.701	94.7716	147.1832	3.7178	463.820954875319
Cond-001194	NPD1313	NPD1313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9323935273	CCCCC(NC(=O)CNC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1)C(=O)O	InChI=1S/C23H28N2O7/c1-2-3-8-18(22(28)29)25-20(26)12-24-21(27)13-31-14-9-10-16-15-6-4-5-7-17(15)23(30)32-19(16)11-14/h9-11,18H,2-8,12-13H2,1H3,(H,24,27)(H,25,26)(H,28,29)	C23H28N2O7	444.478	9	3	131.03	3	12	1	-3.5026	2.73977	3	2.63	80.5258	119.3032	3.29	420.828166707197
Cond-001195	NPD1314	NPD1314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.8841431961	Cc1c(CCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C21H15ClO5/c1-11-14(6-7-20(23)24)21(25)27-19-9-18-16(8-15(11)19)17(10-26-18)12-2-4-13(22)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,23,24)	C21H15ClO5	382.794	5	1	76.74	4	4	0	1.0751	6.09358	3.11	3.807	43.5408	107.9468	2.619	322.44391530604
Cond-001196	NPD1315	NPD1315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.4285645263	C[C@]12CCC3C(CCC4=C/C(=N/OCC(=O)NC(CO)C(=O)O)/CC[C@]34C)C1CC[C@]2(O)C#C	InChI=1S/C26H36N2O6/c1-4-26(33)12-9-20-18-6-5-16-13-17(28-34-15-22(30)27-21(14-29)23(31)32)7-10-24(16,2)19(18)8-11-25(20,26)3/h1,13,18-21,29,33H,5-12,14-15H2,2-3H3,(H,27,30)(H,31,32)/b28-17+/t18?,19?,20?,21?,24-,25-,26+/m0/s1	C26H36N2O6	472.574	8	4	128.45	4	7	0	-0.342599999999998	2.63716	3.44	2.442	122.8462	130.0111	3.6314	467.742352585036
Cond-001197	NPD1316	NPD1316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7417257976	CCCCCCc1c(C)c2ccc(OC(=O)c3ccco3)c(C)c2oc1=O	InChI=1S/C22H24O5/c1-4-5-6-7-9-17-14(2)16-11-12-18(15(3)20(16)27-21(17)23)26-22(24)19-10-8-13-25-19/h8,10-13H,4-7,9H2,1-3H3	C22H24O5	368.423	5	0	65.74	3	8	1	-0.0140000000000008	5.71361000000001	3.33	6.09	55.4956	106.085	2.8321	353.058208263874
Cond-001198	NPD1319	NPD1319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8825831703	COc1cc2c(cc1OC)C(NCC2)c1c(O)[nH]c(=S)n(c1=O)c1ccc(Br)cc1	InChI=1S/C21H20BrN3O4S/c1-28-15-9-11-7-8-23-18(14(11)10-16(15)29-2)17-19(26)24-21(30)25(20(17)27)13-5-3-12(22)4-6-13/h3-6,9-10,18,23,26H,7-8H2,1-2H3,(H,24,30)	C21H20BrN3O4S	490.37	7	3	115.15	4	4	0	0.894699999999999	3.69007	2.78	3.805	71.3847	123.6292	3.1188	382.762003195513
Cond-001199	NPD132	NPD132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	73.8243035209	COc1c(COc2ccccn2)cc(/C=N/NC(=O)CN2CCCCC2c2cnccc2)cc1	InChI=1S/C26H29N5O3/c1-33-24-11-10-20(15-22(24)19-34-26-9-2-4-13-28-26)16-29-30-25(32)18-31-14-5-3-8-23(31)21-7-6-12-27-17-21/h2,4,6-7,9-13,15-17,23H,3,5,8,14,18-19H2,1H3,(H,30,32)/b29-16+	C26H29N5O3	459.54	8	1	88.94	4	10	0	-1.9547	4.24877000000001	3.44	4.802	52.9445	136.6137	3.5397	428.479659603853
Cond-001200	NPD1320	NPD1320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9509590762	CCOc1cc(c/c(=N\c2ccc(Nc3ccccc3)cc2)/c2c(C)oc(C)c12)c1ccc(OC)cc1	InChI=1S/C32H30N2O3/c1-5-36-30-20-24(23-11-17-28(35-4)18-12-23)19-29(31-21(2)37-22(3)32(30)31)34-27-15-13-26(14-16-27)33-25-9-7-6-8-10-25/h6-20,33H,5H2,1-4H3/b34-29+	C32H30N2O3	490.592	5	1	55.99	5	7	1	0.532199999999999	7.85111	4.43	8.708	60.5823	150.5547	3.8481	468.099451931353
Cond-001201	NPD1321	NPD1321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.328210333	CCCCCCc1c(C)c2cc3c(occ3c3ccc(OC)cc3)cc2oc1=O	InChI=1S/C25H26O4/c1-4-5-6-7-8-19-16(2)20-13-21-22(17-9-11-18(27-3)12-10-17)15-28-23(21)14-24(20)29-25(19)26/h9-15H,4-8H2,1-3H3	C25H26O4	390.472	4	0	48.67	4	7	1	-0.616699999999999	7.37167000000001	3.77	6.637	51.0176	120.316	3.0445	370.263018039313
Cond-001202	NPD1322	NPD1322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6780628194	CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O	InChI=1S/C25H26O7/c1-5-30-23(27)13-11-20-15(2)19-10-12-22(16(3)24(19)32-25(20)28)31-14-21(26)17-6-8-18(29-4)9-7-17/h6-10,12H,5,11,13-14H2,1-4H3	C25H26O7	438.47	7	0	88.13	3	10	0	0.9568	5.12819000000001	3.44	3.836	69.714	123.5665	3.2862	417.253698140997
Cond-001203	NPD1323	NPD1323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.1614741181	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)Nc1cc(Cl)c(Cl)cc1)ncc2	InChI=1S/C27H25Cl2N3O5/c1-34-23-10-15-7-8-30-22(18(15)13-25(23)36-3)9-16-11-24(35-2)26(37-4)14-21(16)32-27(33)31-17-5-6-19(28)20(29)12-17/h5-8,10-14H,9H2,1-4H3,(H2,31,32,33)	C27H25Cl2N3O5	542.411	8	2	90.94	4	10	0	0.974899999999999	7.88127	3.33	4.773	55.1916	149.9284	3.8002	458.248254054574
Cond-001204	NPD1324	NPD1324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7984344423	CCOc1ccc(cc1)n1c(=S)[nH]c(O)c(C2NCCc3c2cc(OC)c(OC)c3)c1=O	InChI=1S/C23H25N3O5S/c1-4-31-15-7-5-14(6-8-15)26-22(28)19(21(27)25-23(26)32)20-16-12-18(30-3)17(29-2)11-13(16)9-10-24-20/h5-8,11-12,20,24,27H,4,9-10H2,1-3H3,(H,25,32)	C23H25N3O5S	455.527	8	3	124.38	4	6	0	0.2045	3.32627	3	3.35	74.3952	127.0982	3.2843	406.860580170241
Cond-001205	NPD1325	NPD1325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9934270939	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc(C)cc2c1c1c(CCCC1)c(=O)o2	InChI=1S/C43H60O5/c1-26(2)10-9-11-28(4)34-16-17-35-33-15-14-29-24-30(18-20-42(29,5)36(33)19-21-43(34,35)6)47-39(44)25-46-37-22-27(3)23-38-40(37)31-12-7-8-13-32(31)41(45)48-38/h14,22-23,26,28,30,33-36H,7-13,15-21,24-25H2,1-6H3/t28-,30+,33+,34-,35+,36+,42+,43-/m1/s1	C43H60O5	656.934	5	0	61.83	7	10	1	1.7444	10.77138	5.64	13.925	160.309	193.497999999999	5.39960000000001	680.384509304671
Cond-001206	NPD1326	NPD1326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4535095163	Ic1ccccc1C(=O)NC(=S)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C19H18IN3O2S/c20-15-5-2-1-4-14(15)18(25)21-19(26)22-9-12-8-13(11-22)16-6-3-7-17(24)23(16)10-12/h1-7,12-13H,8-11H2,(H,21,25,26)/t12-,13?/m0/s1	C19H18IN3O2S	479.335	5	1	84.74	4	4	0	0.800299999999999	2.62617	2.78	3.299	88.7601	114.0322	2.8458	350.119221936156
Cond-001207	NPD1327	NPD1327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7612524462	CCc1ccc(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)cc1	InChI=1S/C23H24O6/c1-4-16-5-7-17(8-6-16)29-21-13-27-20-11-18(9-10-19(20)23(21)25)26-14-22(24)28-12-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3	C23H24O6	396.433	6	0	71.06	3	9	1	-0.627599999999998	5.98495000000001	3.33	6.119	59.2755	116.3795	2.9887	376.507960889502
Cond-001208	NPD1328	NPD1328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1676571484	CC(C)C(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1)C(=O)O	InChI=1S/C28H40N2O5/c1-6-28(34)14-11-22-20-8-7-18-15-19(9-12-26(18,4)21(20)10-13-27(22,28)5)30-35-16-23(31)29-24(17(2)3)25(32)33/h1,15,17,20-22,24,34H,7-14,16H2,2-5H3,(H,29,31)(H,32,33)/b30-19+/t20?,21?,22?,24?,26-,27-,28+/m0/s1	C28H40N2O5	484.628	7	3	108.22	4	7	0	0.679000000000003	4.30086000000001	3.77	4.229	129.8372	137.7633	3.8545	493.544095136209
Cond-001209	NPD1329	NPD1329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1729236121	[C@@H]12CC(=O)/C(=C(/C)\NCC(C)N/C(=C/3\C(=O)C[C@@H]4[C@H]3C4(C)C)/C)/[C@@H]1C2(C)C	InChI=1S/C23H34N2O2/c1-11(25-13(3)19-17(27)9-15-21(19)23(15,6)7)10-24-12(2)18-16(26)8-14-20(18)22(14,4)5/h11,14-15,20-21,24-25H,8-10H2,1-7H3/b18-12+,19-13+/t11?,14-,15-,20-,21-/m1/s1	C23H34N2O2	370.528	4	2	58.2	4	5	0	1.0003	3.67837	3.55	4.37	110.5604	109.4734	3.0599	385.966409306791
Cond-001210	NPD133	NPD133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5594275047	CSCCC(NC(=O)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C23H23NO6S/c1-14-22(29-16-7-5-4-6-8-16)21(26)18-10-9-17(13-20(18)28-14)30-23(27)19(11-12-31-3)24-15(2)25/h4-10,13,19H,11-12H2,1-3H3,(H,24,25)	C23H23NO6S	441.497	7	1	116.23	3	10	1	-1.0149	4.89706000000001	3.11	5.572	66.8851	124.5042	3.209	403.377286454469
Cond-001211	NPD1330	NPD1330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4674506001	Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C26H23N3O4/c1-16-10-12-17(13-11-16)24(30)28-22-9-5-3-7-20(22)25(31)29-23(26(32)33)14-18-15-27-21-8-4-2-6-19(18)21/h2-13,15,23,27H,14H2,1H3,(H,28,30)(H,29,31)(H,32,33)	C26H23N3O4	441.479	7	4	111.29	4	9	1	-1.3825	4.0311	3.55	6.55	39.0926	130.0862	3.31280000000001	399.10344848648
Cond-001212	NPD1331	NPD1331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2723663971	CCCCCCc1c(C)c2cc(Cl)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2oc1=O	InChI=1S/C26H29ClO7/c1-6-7-8-9-10-17-15(2)18-13-19(27)21(14-20(18)33-26(17)29)34-25(28)16-11-22(30-3)24(32-5)23(12-16)31-4/h11-14H,6-10H2,1-5H3	C26H29ClO7	488.957	7	0	80.29	3	11	2	0.0869999999999986	7.21787000000001	3.44	6.132	75.9374	136.64	3.5925	452.397209238097
Cond-001213	NPD1332	NPD1332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.2366611627	COc1ccc(CN(CCC(c2ccc3OCOc3c2)c2c(OC)cccc2)C(=O)C)cc1OC	InChI=1S/C28H31NO6/c1-19(30)29(17-20-9-11-25(32-3)27(15-20)33-4)14-13-22(23-7-5-6-8-24(23)31-2)21-10-12-26-28(16-21)35-18-34-26/h5-12,15-16,22H,13-14,17-18H2,1-4H3	C28H31NO6	477.549	7	0	66.46	4	11	2	-1.4787	5.94578000000001	3.77	5.185	58.4011	138.604	3.6414	448.091726825403
Cond-001214	NPD1333	NPD1333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.622457361	COc1cc2c(cc1OC)c(ncc2)/C(=N\OC(=O)c1c(OC)ccc(Cl)c1)/c1cc(OC)c(OC)cc1	InChI=1S/C28H25ClN2O7/c1-33-21-9-7-18(29)14-20(21)28(32)38-31-26(17-6-8-22(34-2)23(13-17)35-3)27-19-15-25(37-5)24(36-4)12-16(19)10-11-30-27/h6-15H,1-5H3/b31-26-	C28H25ClN2O7	536.96	9	0	97.7	4	10	1	0.2886	5.65868	3.44	5.686	55.0894	148.631	3.7933	464.280405402163
Cond-001215	NPD1334	NPD1334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9246500546	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(C(C)CC)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C24H24N4O4/c1-3-14(2)26-13-21(29)27-20(24(26)30)12-18-17-9-4-5-10-19(17)25-22(18)23(27)15-7-6-8-16(11-15)28(31)32/h4-11,14,20,23,25H,3,12-13H2,1-2H3/t14?,20-,23?/m1/s1	C24H24N4O4	432.472	8	1	99.55	5	4	0	-1.6126	3.21788000000001	3.22	4.322	56.328	123.927	3.1512	381.961156844513
Cond-001216	NPD1335	NPD1335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.4278039283	COc1ccc(CN(CCC(Cc2ccccc2)c2ccc(OC)cc2)C(=O)C)cc1	InChI=1S/C27H31NO3/c1-21(29)28(20-23-9-13-26(30-2)14-10-23)18-17-25(19-22-7-5-4-6-8-22)24-11-15-27(31-3)16-12-24/h4-16,25H,17-20H2,1-3H3	C27H31NO3	417.54	4	0	38.77	3	11	2	-0.978199999999999	5.36329000000001	3.99	8.425	47.3909	127.07	3.433	416.781520798653
Cond-001217	NPD1336	NPD1336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8811674774	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(Cl)cc1)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C27H21ClN4O4/c28-18-10-8-16(9-11-18)14-30-15-24(33)31-23(27(30)34)13-21-20-6-1-2-7-22(20)29-25(21)26(31)17-4-3-5-19(12-17)32(35)36/h1-12,23,26,29H,13-15H2/t23-,26?/m1/s1	C27H21ClN4O4	500.933	8	1	99.55	6	4	1	-0.6209	3.93348000000001	3.44	5.452	48.5489	138.574	3.45870000000001	417.894343689347
Cond-001218	NPD1337	NPD1337	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3791515627	CC(C)CC(=O)NC(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C18H24Cl3N3O2/c1-11(2)6-15(25)22-17(18(19,20)21)23-8-12-7-13(10-23)14-4-3-5-16(26)24(14)9-12/h3-5,11-13,17H,6-10H2,1-2H3,(H,22,25)/t12-,13-,17?/m0/s1	C18H24Cl3N3O2	420.761	5	1	52.65	3	6	0	1.0388	3.16527	2.56	2.828	105.2119	106.4847	2.931	368.472908397724
Cond-001219	NPD1338	NPD1338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3957578393	CC1CCCCN1Cc1c2occ(c(=O)c2ccc1O)c1ccc(Cl)cc1	InChI=1S/C22H22ClNO3/c1-14-4-2-3-11-24(14)12-18-20(25)10-9-17-21(26)19(13-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,13-14,25H,2-4,11-12H2,1H3	C22H22ClNO3	383.868	4	1	49.77	4	3	0	-1.2094	5.03788	3.33	4.4	53.8393	109.7478	2.8283	349.329124140552
Cond-001220	NPD134	NPD134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3540808969	COc1cc(OC)cc(c1)/N=c/1\cc(oc2c1cccc2)c1cc2c(OCO2)cc1	InChI=1S/C24H19NO5/c1-26-17-10-16(11-18(12-17)27-2)25-20-13-23(30-21-6-4-3-5-19(20)21)15-7-8-22-24(9-15)29-14-28-22/h3-13H,14H2,1-2H3/b25-20+	C24H19NO5	401.411	6	0	58.51	5	4	1	-0.751700000000001	5.70336	3.44	5.527	39.8971	117.23	2.8675	355.124644219774
Cond-001221	NPD1340	NPD1340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0677657898	CC(C)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1	InChI=1S/C20H17ClO6/c1-12(2)26-19(22)11-24-13-7-8-14-17(9-13)25-10-18(20(14)23)27-16-6-4-3-5-15(16)21/h3-10,12H,11H2,1-2H3	C20H17ClO6	388.798	6	0	71.06	3	7	0	-0.722500000000001	5.82835	2.89	4.917	50.7559	107.4425	2.6884	339.831074782335
Cond-001222	NPD1341	NPD1341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0200995313	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NS(=O)(=O)c1c(C)ccc(F)c1)ncc2	InChI=1S/C27H27FN2O6S/c1-16-6-7-19(28)13-27(16)37(31,32)30-21-15-26(36-5)24(34-3)12-18(21)10-22-20-14-25(35-4)23(33-2)11-17(20)8-9-29-22/h6-9,11-15,30H,10H2,1-5H3	C27H27FN2O6S	526.576	8	1	104.36	4	9	0	0.2992	6.26891000000001	3.33	4.24	51.534	134.5387	3.7385	452.832626614809
Cond-001223	NPD1342	NPD1342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0313628392	CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O	InChI=1S/C23H21ClO6/c1-3-28-22(26)11-10-19-14(2)18-9-8-17(12-21(18)30-23(19)27)29-13-20(25)15-4-6-16(24)7-5-15/h4-9,12H,3,10-11,13H2,1-2H3	C23H21ClO6	428.862	6	0	78.9	3	9	0	1.1109	5.18947	3.22	4.264	62.5117	116.0575	3.0681	389.082569959135
Cond-001224	NPD1343	NPD1343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0859544862	COC(=O)C1[C@@H]2O[C@]3(C=C2)C2C(C)C(=O)C(C)C(N2C(=O)C13)c1ccco1	InChI=1S/C20H21NO6/c1-9-15(12-5-4-8-26-12)21-17(10(2)16(9)22)20-7-6-11(27-20)13(19(24)25-3)14(20)18(21)23/h4-11,13-15,17H,1-3H3/t9?,10?,11-,13?,14?,15?,17?,20+/m1/s1	C20H21NO6	371.384	7	0	86.05	5	3	0	-0.863700000000003	1.29898	2.89	-0.0770000000000001	76.7808	95.782	2.5776	329.713225920869
Cond-001225	NPD1344	NPD1344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.218405639	[C@@H]12Cc3c(CN1C(=O)CN(CC1CC(C)(C)NC(C)(C)C1)C2=O)[nH]c1c3cccc1	InChI=1S/C24H32N4O2/c1-23(2)10-15(11-24(3,4)26-23)12-27-14-21(29)28-13-19-17(9-20(28)22(27)30)16-7-5-6-8-18(16)25-19/h5-8,15,20,25-26H,9-14H2,1-4H3/t20-/m0/s1	C24H32N4O2	408.536	6	2	68.44	5	2	0	-1.3768	2.63788	3.44	2.988	83.7272	120.8987	3.2058	385.826538246592
Cond-001226	NPD1345	NPD1345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9667427777	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl	InChI=1S/C19H24BrCl3N2O2/c20-15-8-2-1-7-14(15)17(26)24-18(19(21,22)23)27-12-13-6-5-11-25-10-4-3-9-16(13)25/h1-2,7-8,13,16,18H,3-6,9-12H2,(H,24,26)/t13-,16+,18?/m0/s1	C19H24BrCl3N2O2	498.669	4	1	41.57	3	7	1	0.715400000000001	5.12469	2.67	5.78	81.1097	116.5957	3.1471	383.155751792991
Cond-001227	NPD1347	NPD1347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.3628903073	COc1ccccc1C(CCN(Cc1ccc(OC(C)C)cc1)C(=O)C)c1ccc2OCOc2c1	InChI=1S/C29H33NO5/c1-20(2)35-24-12-9-22(10-13-24)18-30(21(3)31)16-15-25(26-7-5-6-8-27(26)32-4)23-11-14-28-29(17-23)34-19-33-28/h5-14,17,20,25H,15-16,18-19H2,1-4H3	C29H33NO5	475.576	6	0	57.23	4	11	2	-1.477	6.71578000000001	3.99	6.512	60.5839	141.264	3.7236	456.597484750708
Cond-001228	NPD1348	NPD1348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.2383163107	CCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Cl)cc12	InChI=1S/C22H21ClO7/c1-5-6-12-9-20(24)29-16-11-17(15(23)10-14(12)16)30-22(25)13-7-18(26-2)21(28-4)19(8-13)27-3/h7-11H,5-6H2,1-4H3	C22H21ClO7	432.851	7	0	80.29	3	8	0	0.397899999999999	5.23947	3	4.244	62.8455	115.2705	3.0289	383.21327073463
Cond-001229	NPD1349	NPD1349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2780596222	Cc1cc2c(oc3c([nH]2)c2c(c(=O)c4c(cccc4)c2=O)c(NCCN2CCCC2)c3)cc1	InChI=1S/C27H25N3O3/c1-16-8-9-21-19(14-16)29-25-22(33-21)15-20(28-10-13-30-11-4-5-12-30)23-24(25)27(32)18-7-3-2-6-17(18)26(23)31/h2-3,6-9,14-15,28-29H,4-5,10-13H2,1H3	C27H25N3O3	439.506	6	2	70.67	6	4	0	-1.3969	6.51638000000001	3.77	4.478	51.9832	132.9199	3.2638	399.069206411786
Cond-001230	NPD135	NPD135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5305760272	CCc1cc2c(occ(c3csc(C)n3)c2=O)cc1OCC(=O)OC	InChI=1S/C18H17NO5S/c1-4-11-5-12-16(6-15(11)24-8-17(20)22-3)23-7-13(18(12)21)14-9-25-10(2)19-14/h5-7,9H,4,8H2,1-3H3	C18H17NO5S	359.396	6	0	102.96	3	6	0	-0.0625999999999998	4.41418	2.67	3.153	57.5175	99.6305	2.5318	313.380054026173
Cond-001231	NPD1350	NPD1350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.5383698997	[C@H]12Cc3c(CN1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC)[nH]c1ccccc31	InChI=1S/C22H19N3O4/c1-2-29-21(27)13-7-9-14(10-8-13)25-20(26)19-11-16-15-5-3-4-6-17(15)23-18(16)12-24(19)22(25)28/h3-10,19,23H,2,11-12H2,1H3/t19-/m1/s1	C22H19N3O4	389.404	7	1	82.71	5	4	0	-0.9931	2.79028	3.11	3.533	47.3667	110.353	2.7696	336.372427384613
Cond-001232	NPD1351	NPD1351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.3718855509	CC(N(CCC(Cc1ccccc1)c1ccco1)C(=O)C)c1ccccc1	InChI=1S/C24H27NO2/c1-19(22-12-7-4-8-13-22)25(20(2)26)16-15-23(24-14-9-17-27-24)18-21-10-5-3-6-11-21/h3-14,17,19,23H,15-16,18H2,1-2H3	C24H27NO2	361.477	3	0	33.45	3	9	1	-1.0394	5.49849000000001	3.77	8.591	38.9628	110.921	2.9946	358.739798921291
Cond-001233	NPD1352	NPD1352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9756334101	CCOc1c(OCC)cc2C(OC(=O)Cc2c1)c1ccc(Br)cc1	InChI=1S/C19H19BrO4/c1-3-22-16-9-13-10-18(21)24-19(12-5-7-14(20)8-6-12)15(13)11-17(16)23-4-2/h5-9,11,19H,3-4,10H2,1-2H3	C19H19BrO4	391.256	4	0	44.76	3	5	0	1.1793	4.31129	3	4.529	46.0571	96.099	2.5687	314.300105364079
Cond-001234	NPD1353	NPD1353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.1562983596	CCOC(=O)CCc1c(C)c2ccc(OC(C)C(=O)c3ccccc3)c(C)c2oc1=O	InChI=1S/C25H26O6/c1-5-29-22(26)14-12-20-15(2)19-11-13-21(16(3)24(19)31-25(20)28)30-17(4)23(27)18-9-7-6-8-10-18/h6-11,13,17H,5,12,14H2,1-4H3	C25H26O6	422.47	6	0	78.9	3	9	1	1.1046	5.50809000000001	3.55	5.439	67.0577	121.6095	3.2275	408.463471440436
Cond-001235	NPD1354	NPD1354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5869932841	CC12CCC(CC1=O)(C(=O)Nc1ccc(I)cc1)C2(C)C	InChI=1S/C17H20INO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-6-4-11(18)5-7-12/h4-7H,8-10H2,1-3H3,(H,19,21)	C17H20INO2	397.251	3	1	46.17	3	3	0	1.4977	4.84918	2.89	3.628	65.3815	94.4537	2.4385	295.290543013689
Cond-001236	NPD1355	NPD1355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7034792096	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)Nc1ccc(C)cc1)ncc2	InChI=1S/C28H29N3O5/c1-17-6-8-20(9-7-17)30-28(32)31-22-16-27(36-5)25(34-3)14-19(22)12-23-21-15-26(35-4)24(33-2)13-18(21)10-11-29-23/h6-11,13-16H,12H2,1-5H3,(H2,30,31,32)	C28H29N3O5	487.547	8	2	90.94	4	10	1	0.128300000000001	6.60249	3.66	5.115	49.4625	143.5484	3.69630000000001	445.122103139575
Cond-001237	NPD1356	NPD1356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6557955259	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N/OCC(=O)NCC(=O)O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C25H36N2O6/c1-15(28)25(32)11-8-20-18-5-4-16-12-17(27-33-14-21(29)26-13-22(30)31)6-9-23(16,2)19(18)7-10-24(20,25)3/h12,18-20,32H,4-11,13-14H2,1-3H3,(H,26,29)(H,30,31)/b27-17+/t18?,19?,20?,23-,24-,25-/m0/s1	C25H36N2O6	460.563	8	3	125.29	4	7	0	-0.957400000000002	3.15247	3.33	2.427	119.8148	126.4973	3.5335	453.082826659969
Cond-001238	NPD1357	NPD1357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2698458714	COc1cc(cc(OC)c1OC)C(=O)N1CCN(Cc2c[nH]c3c2cccc3)CC1	InChI=1S/C23H27N3O4/c1-28-20-12-16(13-21(29-2)22(20)30-3)23(27)26-10-8-25(9-11-26)15-17-14-24-19-7-5-4-6-18(17)19/h4-7,12-14,24H,8-11,15H2,1-3H3	C23H27N3O4	409.478	7	1	67.03	4	7	0	-1.1394	2.75859	3.22	2.205	59.1479	119.582	3.1051	371.29778811288
Cond-001239	NPD1359	NPD1359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7360270029	COc1ccc(cc1)C(=O)NC(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C21H22Cl3N3O3/c1-30-16-7-5-14(6-8-16)19(29)25-20(21(22,23)24)26-10-13-9-15(12-26)17-3-2-4-18(28)27(17)11-13/h2-8,13,15,20H,9-12H2,1H3,(H,25,29)/t13-,15-,20?/m0/s1	C21H22Cl3N3O3	470.777	6	1	61.88	4	6	0	0.379299999999999	3.44157	2.78	3.167	93.7107	119.3472	3.1748	397.985254172685
Cond-001240	NPD136	NPD136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9941359892	COc1c(Br)cc(Br)cc1CC1(CN2C[C@H]3CC(C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O	InChI=1S/C26H28Br2N4O4S/c1-29-23(34)26(24(35)30(2)25(29)37,10-16-8-18(27)9-19(28)22(16)36-3)14-31-11-15-7-17(13-31)20-5-4-6-21(33)32(20)12-15/h4-6,8-9,15,17H,7,10-14H2,1-3H3/t15-,17?/m1/s1	C26H28Br2N4O4S	652.398	8	0	105.49	5	5	0	1.2983	3.28467	3.11	1.819	130.4945	152.345	3.9895	498.06584680978
Cond-001241	NPD1360	NPD1360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.2011402619	Cc1ccc(/N=c/2\cc(oc3ccc(O)cc23)c2ccc3OCOc3c2)c(C)c1	InChI=1S/C24H19NO4/c1-14-3-6-19(15(2)9-14)25-20-12-23(29-21-8-5-17(26)11-18(20)21)16-4-7-22-24(10-16)28-13-27-22/h3-12,26H,13H2,1-2H3/b25-20+	C24H19NO4	385.412	5	1	60.28	5	2	1	0.1756	5.8731	3.55	5.887	38.8343	115.756	2.8088	346.334417519213
Cond-001242	NPD1361	NPD1361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6932888824	COC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)[C@H]2Br)C3(C)C)cc1	InChI=1S/C19H22BrNO4/c1-17(2)18(3)9-10-19(17,13(20)14(18)22)16(24)21-12-7-5-11(6-8-12)15(23)25-4/h5-8,13H,9-10H2,1-4H3,(H,21,24)/t13-,18?,19?/m1/s1	C19H22BrNO4	408.286	5	1	72.47	3	5	0	0.785699999999999	3.53899	2.89	3.167	70.7964	100.7097	2.7115	338.833324273046
Cond-001243	NPD1362	NPD1362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5418838647	CCCOc1ccc(cc1)C(=O)NC(=S)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C22H25N3O3S/c1-2-10-28-18-8-6-16(7-9-18)21(27)23-22(29)24-12-15-11-17(14-24)19-4-3-5-20(26)25(19)13-15/h3-9,15,17H,2,10-14H2,1H3,(H,23,27,29)/t15-,17?/m0/s1	C22H25N3O3S	411.517	6	1	93.97	4	7	0	-0.999	2.81037	3.11	2.791	89.9555	117.1012	3.069	385.520600844052
Cond-001244	NPD1363	NPD1363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.0408754892	COc1ccc(/C=C/C(=O)c2ccc(cc2)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC	InChI=1S/C28H26O6/c1-31-25-15-7-19(17-27(25)33-3)5-13-23(29)21-9-11-22(12-10-21)24(30)14-6-20-8-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-5+,14-6+	C28H26O6	458.502	6	0	71.06	3	10	1	-0.0125999999999998	5.11617	3.88	5.454	60.4422	133.1605	3.52120000000001	441.542049215636
Cond-001245	NPD1364	NPD1364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6121660144	CC(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1)C(=O)O	InChI=1S/C26H36N2O5/c1-5-26(32)13-10-21-19-7-6-17-14-18(28-33-15-22(29)27-16(2)23(30)31)8-11-24(17,3)20(19)9-12-25(21,26)4/h1,14,16,19-21,32H,6-13,15H2,2-4H3,(H,27,29)(H,30,31)/b28-18+/t16?,19?,20?,21?,24-,25-,26+/m0/s1	C26H36N2O5	456.574	7	3	108.22	4	6	0	0.157400000000001	3.66476000000001	3.55	3.574	121.4681	128.5993	3.5727	458.952125884475
Cond-001246	NPD1365	NPD1365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2303232353	C[C@]12CCC3C(CCC4=C/C(=N/OCC(=O)NC(CS)C(=O)O)/CC[C@]34C)C1CC[C@]2(O)C#C	InChI=1S/C26H36N2O5S/c1-4-26(32)12-9-20-18-6-5-16-13-17(28-33-14-22(29)27-21(15-34)23(30)31)7-10-24(16,2)19(18)8-11-25(20,26)3/h1,13,18-21,32,34H,5-12,14-15H2,2-3H3,(H,27,29)(H,30,31)/b28-17+/t18?,19?,20?,21?,24-,25-,26+/m0/s1	C26H36N2O5S	488.639	7	3	147.02	4	7	0	0.628700000000002	3.57466	3.44	3.823	128.9732	136.7783	3.7362	477.461149942075
Cond-001247	NPD1366	NPD1366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5688264	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br)ncc2	InChI=1S/C30H31BrN2O8/c1-35-22-11-16-8-9-32-21(18(16)13-24(22)37-3)10-17-12-23(36-2)25(38-4)15-20(17)33-30(34)19-14-26(39-5)28(40-6)29(41-7)27(19)31/h8-9,11-15H,10H2,1-7H3,(H,33,34)	C30H31BrN2O8	627.48	10	1	106.6	4	12	1	0.212599999999999	6.74138	3.55	3.824	72.0058	162.5007	4.2294	514.371611262392
Cond-001248	NPD1367	NPD1367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.163550273	COc1ccc(cc1)C(=O)N/C(=C\c1cn(C)c2ccccc12)/C(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C30H31N3O5/c1-33-19-22(24-7-5-6-8-26(24)33)18-25(32-29(34)21-10-12-23(36-2)13-11-21)30(35)31-16-15-20-9-14-27(37-3)28(17-20)38-4/h5-14,17-19H,15-16H2,1-4H3,(H,31,35)(H,32,34)/b25-18-	C30H31N3O5	513.584	8	2	90.82	4	12	2	-1.0213	4.52477000000001	3.88	5.314	64.2354	150.6164	3.93510000000001	477.077613690508
Cond-001249	NPD1368	NPD1368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9104133834	CC(=O)c1ccc(NC(=S)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C20H21N3O2S/c1-13(24)15-5-7-17(8-6-15)21-20(26)22-10-14-9-16(12-22)18-3-2-4-19(25)23(18)11-14/h2-8,14,16H,9-12H2,1H3,(H,21,26)/t14-,16?/m0/s1	C20H21N3O2S	367.465	5	1	84.74	4	4	0	-0.750199999999999	3.50636	3	2.567	80.6428	107.7192	2.7285	342.138404891757
Cond-001250	NPD1369	NPD1369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	57.6911173011	Cc1c(CCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1cc2ccccc2cc1	InChI=1S/C25H18O5/c1-14-18(8-9-24(26)27)25(28)30-23-12-22-20(11-19(14)23)21(13-29-22)17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10-13H,8-9H2,1H3,(H,26,27)	C25H18O5	398.407	5	1	76.74	5	4	1	0.3308	6.59338000000001	3.66	6.642	37.9252	120.4428	2.8656	347.887409936674
Cond-001251	NPD137	NPD137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9527132324	CC1CC(=CC(C)C1C1OC[C@@]2(CO1)COC(OC2)C1C(C)CC(=CC1C)C)C	InChI=1S/C25H40O4/c1-15-7-17(3)21(18(4)8-15)23-26-11-25(12-27-23)13-28-24(29-14-25)22-19(5)9-16(2)10-20(22)6/h7,9,17-24H,8,10-14H2,1-6H3/t17?,18?,19?,20?,21?,22?,23?,24?,25-	C25H40O4	404.583	4	0	36.92	4	2	1	1.7168	5.04778000000001	3.77	5.588	112.7579	113.661	3.3455	421.418228944914
Cond-001252	NPD1371	NPD1371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7085084795	COc1cc2c(cc1OC)c1c(c(cn1cc2)c1cccc(c1)N(=O)=O)c1cc(OC)c(OC)cc1	InChI=1S/C28H24N2O6/c1-33-23-9-8-19(14-24(23)34-2)27-22(17-6-5-7-20(12-17)30(31)32)16-29-11-10-18-13-25(35-3)26(36-4)15-21(18)28(27)29/h5-16H,1-4H3	C28H24N2O6	484.5	8	0	84.47	5	7	1	0.4661	7.29198	3.66	5.743	36.0512	144.429	3.50360000000001	417.022652230369
Cond-001253	NPD1372	NPD1372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.743054549	COc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2c(Cl)cccc2)c1	InChI=1S/C25H19ClO5/c1-14-23-21(27)12-17(16-8-10-18(29-3)11-9-16)13-22(24(23)15(2)30-14)31-25(28)19-6-4-5-7-20(19)26/h4-13H,1-3H3	C25H19ClO5	434.868	5	0	65.74	4	5	1	1.249	5.05921	3.55	5.963	56.3229	119.4605	3.0966	386.354936407907
Cond-001254	NPD1373	NPD1373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5127568748	ClC(Cl)(Cl)C(NC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC(=O)c1ccccc1	InChI=1S/C21H21Cl3N4O2S/c22-21(23,24)19(25-18(30)14-5-2-1-3-6-14)26-20(31)27-10-13-9-15(12-27)16-7-4-8-17(29)28(16)11-13/h1-8,13,15,19H,9-12H2,(H,25,30)(H,26,31)/t13-,15+,19?/m1/s1	C21H21Cl3N4O2S	499.841	6	2	96.77	4	7	0	0.689299999999999	3.30747	2.67	4.989	101.4304	128.5289	3.3364	416.064353037091
Cond-001255	NPD1374	NPD1374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.9943470068	COc1cc2c(cc1OC)c(ncc2)/C(=N/OC(=O)c1ccc(F)cc1)/c1cc(OC)c(OC)cc1	InChI=1S/C27H23FN2O6/c1-32-21-10-7-18(14-22(21)33-2)25(30-36-27(31)16-5-8-19(28)9-6-16)26-20-15-24(35-4)23(34-3)13-17(20)11-12-29-26/h5-15H,1-4H3/b30-25+	C27H23FN2O6	490.48	8	0	88.47	4	9	1	0.0757999999999994	5.13578	3.44	5.439	43.0305	137.027	3.489	429.050685155609
Cond-001256	NPD1376	NPD1376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.8096065102	Cc1c2oc(=O)c(CCC(=O)O)c(C)c2cc2c1occ2c1ccc(Br)cc1	InChI=1S/C22H17BrO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)	C22H17BrO5	441.271	5	1	76.74	4	4	0	1.8616	6.2307	3.22	4.257	52.0264	114.2768	2.8125	343.812451139041
Cond-001257	NPD1377	NPD1377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6844953375	CC(O)C(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1)C(=O)O	InChI=1S/C27H38N2O6/c1-5-27(34)13-10-21-19-7-6-17-14-18(8-11-25(17,3)20(19)9-12-26(21,27)4)29-35-15-22(31)28-23(16(2)30)24(32)33/h1,14,16,19-21,23,30,34H,6-13,15H2,2-4H3,(H,28,31)(H,32,33)/b29-18+/t16?,19?,20?,21?,23?,25-,26-,27+/m0/s1	C27H38N2O6	486.6	8	4	128.45	4	7	0	-0.353300000000001	3.02566000000001	3.55	2.902	127.4306	134.6061	3.7723	485.038337210903
Cond-001258	NPD1378	NPD1378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.804129852	Cc1ccccc1C(=O)NC(NC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C22H23Cl3N4O2S/c1-13-5-2-3-6-16(13)19(31)26-20(22(23,24)25)27-21(32)28-10-14-9-15(12-28)17-7-4-8-18(30)29(17)11-14/h2-8,14-15,20H,9-12H2,1H3,(H,26,31)(H,27,32)/t14-,15+,20?/m1/s1	C22H23Cl3N4O2S	513.868	6	2	96.77	4	7	1	1.3313	3.33549	2.78	5.312	106.9325	132.1689	3.4773	433.360337662958
Cond-001259	NPD1379	NPD1379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4763001576	CCOc1ccc(cc1OCC)C1OC(=O)Cc2cc(OCC)c(OCC)cc12	InChI=1S/C23H28O6/c1-5-25-18-10-9-15(11-19(18)26-6-2)23-17-14-21(28-8-4)20(27-7-3)12-16(17)13-22(24)29-23/h9-12,14,23H,5-8,13H2,1-4H3	C23H28O6	400.465	6	0	63.22	3	9	0	0.687700000000003	4.34619000000001	3.33	4.053	60.6772	110.737	3.0747	381.780878291102
Cond-001260	NPD138	NPD138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.0495049505	CCCc1cc2c(oc(C)c(c2=S)c2cc3c(OCCO3)cc2)cc1OC	InChI=1S/C22H22O4S/c1-4-5-14-10-16-19(12-18(14)23-3)26-13(2)21(22(16)27)15-6-7-17-20(11-15)25-9-8-24-17/h6-7,10-12H,4-5,8-9H2,1-3H3	C22H22O4S	382.473	4	0	69.01	4	4	0	0.234999999999999	6.28016	3.33	4.596	62.7688	114.464	2.8283	350.420546920113
Cond-001261	NPD1380	NPD1380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.1891958499	COc1ccc(NC(=O)CC(C2CCOC(C)(C)C2)c2ccccc2)cc1	InChI=1S/C23H29NO3/c1-23(2)16-18(13-14-27-23)21(17-7-5-4-6-8-17)15-22(25)24-19-9-11-20(26-3)12-10-19/h4-12,18,21H,13-16H2,1-3H3,(H,24,25)	C23H29NO3	367.481	4	1	47.56	3	7	1	-0.766199999999998	5.84678000000001	3.55	6.626	53.5585	111.6647	2.9984	366.406958397586
Cond-001262	NPD1381	NPD1381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0229985022	COc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(OC)c(OC)c1	InChI=1S/C20H19NO6/c1-25-13-7-4-11(5-8-13)18(22)16-17(21-20(24)19(16)23)12-6-9-14(26-2)15(10-12)27-3/h4-10,17,23H,1-3H3,(H,21,24)	C20H19NO6	369.368	7	2	94.09	3	6	0	-1.3953	2.39728	2.89	4.073	48.8368	99.6040000000001	2.6658	335.616767220068
Cond-001263	NPD1382	NPD1382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1204994545	Clc1cc(Cl)c(cc1)C(=O)NC(=S)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C19H17Cl2N3O2S/c20-13-4-5-14(15(21)7-13)18(26)22-19(27)23-8-11-6-12(10-23)16-2-1-3-17(25)24(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,22,26,27)/t11-,12?/m0/s1	C19H17Cl2N3O2S	422.328	5	1	84.74	4	4	0	0.868799999999999	3.32837	2.67	2.646	86.0451	111.3352	2.8324	355.264555806757
Cond-001264	NPD1383	NPD1383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1632603759	COc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(OC)cc1OC	InChI=1S/C20H19NO6/c1-25-12-6-4-11(5-7-12)18(22)16-17(21-20(24)19(16)23)14-9-8-13(26-2)10-15(14)27-3/h4-10,17,23H,1-3H3,(H,21,24)	C20H19NO6	369.368	7	2	94.09	3	6	0	-1.3953	2.95278	2.89	4.073	48.8368	101.931	2.6658	335.616767220068
Cond-001265	NPD1384	NPD1384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.9640436701	CCC(=O)N(CCC(c1ccc2OCOc2c1)c1c(OC)cccc1)Cc1ccc(OC)c(OC)c1	InChI=1S/C29H33NO6/c1-5-29(31)30(18-20-10-12-25(33-3)27(16-20)34-4)15-14-22(23-8-6-7-9-24(23)32-2)21-11-13-26-28(17-21)36-19-35-26/h6-13,16-17,22H,5,14-15,18-19H2,1-4H3	C29H33NO6	491.575	7	0	66.46	4	12	2	-1.4025	6.33588000000001	3.88	5.438	63.4246	143.221	3.7823	465.387711451269
Cond-001266	NPD1385	NPD1385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.8926897618	CSCCC(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1)C(=O)O	InChI=1S/C26H40N2O5S/c1-25-11-8-17(28-33-15-23(30)27-21(24(31)32)10-13-34-3)14-16(25)4-5-18-19-6-7-22(29)26(19,2)12-9-20(18)25/h14,18-22,29H,4-13,15H2,1-3H3,(H,27,30)(H,31,32)/b28-17+/t18?,19?,20?,21?,22?,25-,26-/m0/s1	C26H40N2O5S	492.671	7	3	133.52	4	9	0	-0.551400000000002	4.31497	3.44	4.524	128.4739	138.7933	3.8222	482.734067343675
Cond-001267	NPD1386	NPD1386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2433623984	Cn1c(=O)c(NCc2ccccc2)c2c3c(cccc3)c(=O)c3c2c1ccc3	InChI=1S/C24H18N2O2/c1-26-19-13-7-12-18-20(19)21(16-10-5-6-11-17(16)23(18)27)22(24(26)28)25-14-15-8-3-2-4-9-15/h2-13,25H,14H2,1H3	C24H18N2O2	366.412	4	1	49.41	5	3	1	-1.3797	3.72987	3.66	6.83	34.9226	110.6577	2.7482	337.114265625457
Cond-001268	NPD1387	NPD1387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3753604259	CCC(=O)N(CCC(Cc1ccccc1)C1CCOC(C)(C)C1)Cc1ccco1	InChI=1S/C25H35NO3/c1-4-24(27)26(19-23-11-8-15-28-23)14-12-21(17-20-9-6-5-7-10-20)22-13-16-29-25(2,3)18-22/h5-11,15,21-22H,4,12-14,16-19H2,1-3H3	C25H35NO3	397.55	4	0	42.68	3	10	1	-1.0326	5.34759000000001	3.77	7.112	70.081	120.34	3.3232	403.635386350119
Cond-001269	NPD1388	NPD1388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8571428571	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1c(Cl)c3c(s1)cccc3)ncc2	InChI=1S/C29H25ClN2O5S/c1-34-22-12-16-9-10-31-21(19(16)14-24(22)36-3)11-17-13-23(35-2)25(37-4)15-20(17)32-29(33)28-27(30)18-7-5-6-8-26(18)38-28/h5-10,12-15H,11H2,1-4H3,(H,32,33)	C29H25ClN2O5S	549.037	7	1	107.15	5	9	1	0.814100000000001	7.82118000000001	3.66	5.384	54.8684	155.5377	3.8717	459.248501983708
Cond-001270	NPD1389	NPD1389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1507991661	Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)cc2oc1=O	InChI=1S/C24H22N2O6/c1-13-14(2)24(30)32-21-10-16(7-8-17(13)21)31-12-22(27)26-20(23(28)29)9-15-11-25-19-6-4-3-5-18(15)19/h3-8,10-11,20,25H,9,12H2,1-2H3,(H,26,27)(H,28,29)/t20-/m0/s1	C24H22N2O6	434.441	8	3	117.72	4	8	0	-0.4761	3.54646	3.22	3.238	57.5044	123.1245	3.1346	387.268089829302
Cond-001271	NPD139	NPD139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.755074027	CCOc1c(OC)cc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2c(oc1=O)cccc2	InChI=1S/C28H22O8/c1-3-34-20-13-12-15(14-21(20)33-2)22(23-25(29)16-8-4-6-10-18(16)35-27(23)31)24-26(30)17-9-5-7-11-19(17)36-28(24)32/h4-14,22,29-30H,3H2,1-2H3	C28H22O8	486.469	8	2	111.52	5	6	1	-0.551199999999999	6.00686	3.66	5.828	56.5643	136.4586	3.42140000000001	434.409585215158
Cond-001272	NPD1390	NPD1390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0353982301	Brc1ccc(/C=C/C(=O)NC(=S)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C21H20BrN3O2S/c22-17-7-4-14(5-8-17)6-9-19(26)23-21(28)24-11-15-10-16(13-24)18-2-1-3-20(27)25(18)12-15/h1-9,15-16H,10-13H2,(H,23,26,28)/b9-6+/t15-,16?/m0/s1	C21H20BrN3O2S	458.371	5	1	84.74	4	5	0	0.630100000000001	3.00096	3	3.704	93.6565	117.6637	3.0014	376.081549794391
Cond-001273	NPD1391	NPD1391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.143168869	O=C(NC(=S)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2)/C=C/c1ccccc1	InChI=1S/C21H21N3O2S/c25-19(10-9-15-5-2-1-3-6-15)22-21(27)23-12-16-11-17(14-23)18-7-4-8-20(26)24(18)13-16/h1-10,16-17H,11-14H2,(H,22,25,27)/b10-9+/t16-,17?/m0/s1	C21H21N3O2S	379.475	5	1	84.74	4	5	0	-0.258699999999999	2.23846	3.11	4.325	85.0574	109.9637	2.8264	356.797930816824
Cond-001274	NPD1392	NPD1392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3922790743	CCOc1cc(c/c(=N\c2ccccc2N)/c2c(C)oc(C)c12)c1cc2c(OCO2)cc1	InChI=1S/C26H24N2O4/c1-4-29-24-13-18(17-9-10-22-23(12-17)31-14-30-22)11-21(25-15(2)32-16(3)26(24)25)28-20-8-6-5-7-19(20)27/h5-13H,4,14,27H2,1-3H3/b28-21+	C26H24N2O4	428.48	6	2	79.21	5	4	1	-0.0482000000000013	5.31051000000001	3.66	5.047	61.6607	126.6314	3.1904	391.923146979113
Cond-001275	NPD1393	NPD1393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6868857341	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)c1cccc(c1)N(=O)=O)C(Cl)(Cl)Cl	InChI=1S/C19H24Cl3N3O4/c20-19(21,22)18(23-17(26)13-5-3-7-15(11-13)25(27)28)29-12-14-6-4-10-24-9-2-1-8-16(14)24/h3,5,7,11,14,16,18H,1-2,4,6,8-10,12H2,(H,23,26)/t14-,16+,18?/m0/s1	C19H24Cl3N3O4	464.771	7	1	84.71	3	8	1	0.486700000000001	4.12939	2.45	5.022	76.4006	117.4237	3.1463	389.812887723913
Cond-001276	NPD1394	NPD1394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.787352328	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1c(O)ccc(Br)c1)C2=O)[nH]c1ccccc31	InChI=1S/C21H17BrN4O3/c22-13-5-6-19(27)12(7-13)9-23-26-11-20(28)25-10-17-15(8-18(25)21(26)29)14-3-1-2-4-16(14)24-17/h1-7,9,18,24,27H,8,10-11H2/b23-9+/t18-/m1/s1	C21H17BrN4O3	453.289	7	2	89	5	2	0	-1.5806	2.98327	2.89	3.401	54.3601	116.8188	2.8448	340.566595243919
Cond-001277	NPD1395	NPD1395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.685764958	COc1c(cccc1)c1coc2cc(OCc3c(Cl)cc(F)cc3)ccc2c1=O	InChI=1S/C23H16ClFO4/c1-27-21-5-3-2-4-17(21)19-13-29-22-11-16(8-9-18(22)23(19)26)28-12-14-6-7-15(25)10-20(14)24/h2-11,13H,12H2,1H3	C23H16ClFO4	410.822	4	0	44.76	4	5	1	0.363	5.62987	3.33	6.054	35.4405	111.378	2.8168	351.676758006719
Cond-001278	NPD1396	NPD1396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.1858122324	CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(OC)cc3)cc2oc1=O	InChI=1S/C24H27ClO4/c1-4-5-6-7-8-19-16(2)20-13-21(25)23(14-22(20)29-24(19)26)28-15-17-9-11-18(27-3)12-10-17/h9-14H,4-8,15H2,1-3H3	C24H27ClO4	414.922	4	0	44.76	3	9	1	0.139200000000001	6.80297	3.55	6.961	61.3454	119.252	3.1776	394.07101858548
Cond-001279	NPD1397	NPD1397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7164504788	COc1ccc(/C=C/C(=O)NC(=S)N2CCCCC2c2cccnc2)cc1OC	InChI=1S/C22H25N3O3S/c1-27-19-10-8-16(14-20(19)28-2)9-11-21(26)24-22(29)25-13-4-3-7-18(25)17-6-5-12-23-15-17/h5-6,8-12,14-15,18H,3-4,7,13H2,1-2H3,(H,24,26,29)/b11-9+	C22H25N3O3S	411.517	6	1	95.78	3	8	0	-0.497399999999999	3.45038	3.11	4.026	64.595	118.2587	3.1346	384.340600844052
Cond-001280	NPD1398	NPD1398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0665836963	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccccc3C)cc2o1)c1ccc(Br)cc1	InChI=1S/C26H19BrO6/c1-3-31-26(30)24-22(16-8-10-17(27)11-9-16)23(28)20-13-12-18(14-21(20)33-24)32-25(29)19-7-5-4-6-15(19)2/h4-14H,3H2,1-2H3	C26H19BrO6	507.329	6	0	78.9	4	7	1	1.1088	6.08779000000001	3.55	8.053	52.0664	130.4835	3.3058	413.877240240669
Cond-001281	NPD1399	NPD1399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.208562209	CCc1c(OCc2ccc(OC)cc2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C27H24O6/c1-3-18-12-21-25(14-24(18)32-15-17-4-7-20(29-2)8-5-17)33-16-22(27(21)28)19-6-9-23-26(13-19)31-11-10-30-23/h4-9,12-14,16H,3,10-11,15H2,1-2H3	C27H24O6	444.476	6	0	63.22	5	6	1	-0.839100000000003	6.17255	3.77	5.371	51.9655	130.9	3.2491	404.806064589769
Cond-001282	NPD14	NPD14	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4671316951	[C@@H]12CC[C@H]3C(CN4C[C@@H](C)CC[C@H]4[C@@]3(C)O)C1C[C@H]1C2CCC2C(Cl)(Cl)C(Cl)CC[C@]12C	InChI=1S/C27H42Cl3NO/c1-15-4-9-24-26(3,32)20-7-5-16-17-6-8-22-25(2,11-10-23(28)27(22,29)30)21(17)12-18(16)19(20)14-31(24)13-15/h15-24,32H,4-14H2,1-3H3/t15-,16-,17?,18?,19?,20-,21-,22?,23?,24-,25+,26-/m0/s1	C27H42Cl3NO	502.987	2	1	23.47	6	0	1	0.823099999999997	6.73760000000001	3.88	7.984	124.6995	133.3168	3.787	466.829481614431
Cond-001283	NPD140	NPD140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7722772277	[C@@H](NC(=O)C(C)Oc1cc2c(cc1)c(cc(=O)o2)c1ccccc1)(C(C)CC)C(=O)OC	InChI=1S/C25H27NO6/c1-5-15(2)23(25(29)30-4)26-24(28)16(3)31-18-11-12-19-20(17-9-7-6-8-10-17)14-22(27)32-21(19)13-18/h6-16,23H,5H2,1-4H3,(H,26,28)/t15?,16?,23-/m1/s1	C25H27NO6	437.485	7	1	90.93	3	10	1	-1.0695	4.06047000000001	3.44	6.432	66.254	123.3317	3.3273	419.460231648602
Cond-001284	NPD1400	NPD1400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3091391367	COc1ccc(cc1OC)C(=O)Oc1cc2c3N(C(=O)C(=O)c3c1)C(C)(C)C=C2C	InChI=1S/C23H21NO6/c1-12-11-23(2,3)24-19-15(12)9-14(10-16(19)20(25)21(24)26)30-22(27)13-6-7-17(28-4)18(8-13)29-5/h6-11H,1-5H3	C23H21NO6	407.416	7	0	82.14	4	5	0	0.414999999999998	4.46136	3.22	3.1	62.0794	114.9375	2.9369	372.511803696069
Cond-001285	NPD1401	NPD1401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3832679998	CCCCCCc1c(C)c2ccc(OC(=O)c3ccc(OC)cc3)c(C)c2oc1=O	InChI=1S/C25H28O5/c1-5-6-7-8-9-21-16(2)20-14-15-22(17(3)23(20)30-25(21)27)29-24(26)18-10-12-19(28-4)13-11-18/h10-15H,5-9H2,1-4H3	C25H28O5	408.487	5	0	61.83	3	9	1	0.0882999999999989	6.12921000000001	3.66	7.036	61.1923	120.371	3.2118	402.309703440675
Cond-001286	NPD1402	NPD1402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3963069592	COC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C22H25N3O4/c1-29-21(27)18(11-15-6-3-2-4-7-15)23-22(28)24-12-16-10-17(14-24)19-8-5-9-20(26)25(19)13-16/h2-9,16-18H,10-14H2,1H3,(H,23,28)/t16-,17-,18-/m0/s1	C22H25N3O4	395.452	7	1	78.95	4	7	0	-1.4789	1.80057	3.11	2.911	82.0581	109.2907	2.9642	375.801803487013
Cond-001287	NPD1403	NPD1403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.227420565	CC(C)Oc1ccc(CN(CCC(C(C)C)c2ccc(OC(C)C)cc2)C(=O)c2ccco2)cc1	InChI=1S/C30H39NO4/c1-21(2)28(25-11-15-27(16-12-25)35-23(5)6)17-18-31(30(32)29-8-7-19-33-29)20-24-9-13-26(14-10-24)34-22(3)4/h7-16,19,21-23,28H,17-18,20H2,1-6H3	C30H39NO4	477.635	5	0	51.91	3	13	2	-0.7189	6.95519000000001	4.21	8.515	72.8661	142.322	3.9574	480.096160077614
Cond-001288	NPD1404	NPD1404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.4906179635	Fc1c(Cl)cc(cc1)N1C(=O)C2Cc3c([nH]c4c3cccc4)C(N2C1=S)c1ccccc1	InChI=1S/C25H17ClFN3OS/c26-18-12-15(10-11-19(18)27)29-24(31)21-13-17-16-8-4-5-9-20(16)28-22(17)23(30(21)25(29)32)14-6-2-1-3-7-14/h1-12,21,23,28H,13H2	C25H17ClFN3OS	461.938	4	1	71.43	6	2	1	0.8064	5.93467	3.44	7.606	44.2492	130.844	3.1252	373.147975736469
Cond-001289	NPD1405	NPD1405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.4361622883	COc1cc(COc2ccc3c(=O)c(coc3c2)c2c(OC)cccc2)ccc1	InChI=1S/C24H20O5/c1-26-17-7-5-6-16(12-17)14-28-18-10-11-20-23(13-18)29-15-21(24(20)25)19-8-3-4-9-22(19)27-2/h3-13,15H,14H2,1-2H3	C24H20O5	388.413	5	0	53.99	4	6	1	-0.912800000000001	4.84597	3.55	5.555	36.2682	112.962	2.8763	356.484342712407
Cond-001290	NPD1406	NPD1406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9857972886	COc1c(cccc1)c1c(C)oc2cc(OCc3ccc(C)cc3)ccc2c1=O	InChI=1S/C25H22O4/c1-16-8-10-18(11-9-16)15-28-19-12-13-21-23(14-19)29-17(2)24(25(21)26)20-6-4-5-7-22(20)27-3/h4-14H,15H2,1-3H3	C25H22O4	386.44	4	0	44.76	4	5	1	0.2947	4.7547	3.77	7.191	40.273	112.606	2.9585	364.990100637713
Cond-001291	NPD1407	NPD1407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1153287189	CCOC(=O)c1c(c(=O)c2ccc(OCC(=O)c3ccccc3)cc2o1)c1ccc2OCCOc2c1	InChI=1S/C28H22O8/c1-2-32-28(31)27-25(18-8-11-22-24(14-18)34-13-12-33-22)26(30)20-10-9-19(15-23(20)36-27)35-16-21(29)17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3	C28H22O8	486.469	8	0	97.36	5	8	1	-1.2356	5.32176	3.66	5.624	55.8632	134.956	3.4214	434.409585215158
Cond-001292	NPD1408	NPD1408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.9508078129	CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19+,20+,21-,22-/m1/s1	C22H26O11	466.435	11	0	140.73	2	12	1	-0.944700000000001	2.08578	2.67	1.9	82.3543	114.3345	3.2929	429.056027168041
Cond-001293	NPD1409	NPD1409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.9772659585	Brc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C24H22BrN3O4S/c25-21-5-2-1-4-20(21)24(30)26-18-8-10-19(11-9-18)33(31,32)27-13-16-12-17(15-27)22-6-3-7-23(29)28(22)14-16/h1-11,16-17H,12-15H2,(H,26,30)/t16-,17-/m0/s1	C24H22BrN3O4S	528.418	7	1	95.17	5	5	0	-1.4502	4.22426000000001	3.11	3.438	79.1211	126.2282	3.3899	419.657039671513
Cond-001294	NPD141	NPD141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0600973004	[C@H](Cc1ccccc1)(NC(=O)COc1cc2c(cc1)c(C)cc(=O)o2)C(=O)OC	InChI=1S/C22H21NO6/c1-14-10-21(25)29-19-12-16(8-9-17(14)19)28-13-20(24)23-18(22(26)27-2)11-15-6-4-3-5-7-15/h3-10,12,18H,11,13H2,1-2H3,(H,23,24)/t18-/m1/s1	C22H21NO6	395.405	7	1	90.93	3	9	0	-0.357800000000002	2.84017	3.11	4.779	54.6164	109.5577	2.9046	367.572277771002
Cond-001295	NPD1410	NPD1410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4647387738	CCCc1c(OC(=O)N(C)C)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C24H25NO6/c1-5-6-15-11-17-20(13-19(15)31-24(27)25(3)4)30-14(2)22(23(17)26)16-7-8-18-21(12-16)29-10-9-28-18/h7-8,11-13H,5-6,9-10H2,1-4H3	C24H25NO6	423.458	7	0	74.3	4	6	0	-0.4917	5.39465000000001	3.33	4.348	67.6483	123.1075	3.1208	392.444247022736
Cond-001296	NPD1411	NPD1411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5084252637	COc1ccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1	InChI=1S/C21H21NO5/c1-12-13(2)21(24)27-20-14(3)18(10-9-17(12)20)26-11-19(23)22-15-5-7-16(25-4)8-6-15/h5-10H,11H2,1-4H3,(H,22,23)	C21H21NO5	367.395	6	1	73.86	3	6	0	0.868999999999999	5.16068	3.11	3.466	51.6148	107.9157	2.748	344.122525145374
Cond-001297	NPD1412	NPD1412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.43949171	CC(C)[C@H](NC(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C21H25NO6/c1-11(2)18(20(24)25)22-17(23)10-27-16-9-8-14-13-6-4-5-7-15(13)21(26)28-19(14)12(16)3/h8-9,11,18H,4-7,10H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1	C21H25NO6	387.426	7	2	101.93	3	7	0	-0.6384	3.67289	3	2.729	73.6587	107.5735	2.8927	369.085669247535
Cond-001298	NPD1413	NPD1413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7341338758	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(cc12)c1c(CCCC1)o3	InChI=1S/C23H20O4/c1-13-22-18(16-5-3-4-6-20(16)26-22)11-19-17(12-21(24)27-23(13)19)14-7-9-15(25-2)10-8-14/h7-12H,3-6H2,1-2H3	C23H20O4	360.402	4	0	48.67	5	2	1	0.252499999999999	5.17698	3.55	5.173	44.8925	108.609	2.6541	323.31459008678
Cond-001299	NPD1414	NPD1414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0039138943	CCOc1c(OCC)cc(cc1)c1c2n(CCc3cc(OCC)c(OCC)cc23)c2c1cc(OCC(C)C)cc2	InChI=1S/C34H41NO5/c1-7-36-29-14-11-24(18-30(29)37-8-2)33-27-19-25(40-21-22(5)6)12-13-28(27)35-16-15-23-17-31(38-9-3)32(39-10-4)20-26(23)34(33)35/h11-14,17-20,22H,7-10,15-16,21H2,1-6H3	C34H41NO5	543.693	6	0	51.08	5	12	2	1.5052	8.75858999999999	4.54	7.178	79.0995	165.352	4.3195	519.820949179241
Cond-001300	NPD1415	NPD1415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4007840024	Cc1c2oc(=O)c(C)c(C)c2cc2c1occ2c1cc2ccccc2cc1	InChI=1S/C24H18O3/c1-13-14(2)24(25)27-23-15(3)22-20(11-19(13)23)21(12-26-22)18-9-8-16-6-4-5-7-17(16)10-18/h4-12H,1-3H3	C24H18O3	354.398	3	0	39.44	5	1	1	1.7574	6.59379	3.77	7.384	32.2955	111.825	2.6503	315.647430610485
Cond-001301	NPD1418	NPD1418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0821917808	COc1ccc(CCn2c(CCCN3C(=O)c4c(cccc4)C3=O)nc3ccccc3c2=O)cc1OC	InChI=1S/C29H27N3O5/c1-36-24-14-13-19(18-25(24)37-2)15-17-31-26(30-23-11-6-5-10-22(23)29(31)35)12-7-16-32-27(33)20-8-3-4-9-21(20)28(32)34/h3-6,8-11,13-14,18H,7,12,15-17H2,1-2H3	C29H27N3O5	497.542	8	0	88.51	5	9	1	-1.4364	4.37478	3.77	5.256	61.9917	142.703	3.6856	458.325170363841
Cond-001302	NPD1419	NPD1419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.4613892593	O=C(NC(=S)NN1CCCCC1c1cnccc1)/C=C/c1ccccc1	InChI=1S/C20H22N4OS/c25-19(12-11-16-7-2-1-3-8-16)22-20(26)23-24-14-5-4-10-18(24)17-9-6-13-21-15-17/h1-3,6-9,11-13,15,18H,4-5,10,14H2,(H2,22,23,25,26)/b12-11+	C20H22N4OS	366.48	5	2	89.35	3	7	1	-0.380600000000001	2.93778	3	5.813	52.8614	108.2904	2.8352	343.164938399363
Cond-001303	NPD142	NPD142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.611867956	CC(=O)O[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C21H29BrO4/c1-12(23)26-21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,25H,4-9,11H2,1-3H3/t15?,16?,17?,18?,19-,20-,21-/m0/s1	C21H29BrO4	425.357	4	1	63.6	4	2	0	1.3771	4.30348	3.22	4.845	101.6423	104.4968	2.9139	368.881450718213
Cond-001304	NPD1420	NPD1420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2565273503	C=CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C27H27N3O5S/c1-2-14-35-23-10-6-20(7-11-23)27(32)28-22-8-12-24(13-9-22)36(33,34)29-16-19-15-21(18-29)25-4-3-5-26(31)30(25)17-19/h2-13,19,21H,1,14-18H2,(H,28,32)/t19-,21-/m0/s1	C27H27N3O5S	505.585	8	1	104.4	5	8	0	-1.774	3.95275000000001	3.44	2.964	87.0005	133.9502	3.6533	458.415142571308
Cond-001305	NPD1421	NPD1421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8481642813	[C@@H]12C3CC4[C@@]5(C)CCC[C@](C)(C5CCC4(C=C3C(C)C)[C@@H]1C(=O)N(C2=O)c1ccccc1)C(=O)O	InChI=1S/C30H37NO4/c1-17(2)20-16-30-14-11-21-28(3,12-8-13-29(21,4)27(34)35)22(30)15-19(20)23-24(30)26(33)31(25(23)32)18-9-6-5-7-10-18/h5-7,9-10,16-17,19,21-24H,8,11-15H2,1-4H3,(H,34,35)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1	C30H37NO4	475.619	5	1	74.68	4	3	1	-0.346700000000001	6.38897000000001	4.21	7.039	107.0348	136.6878	3.7176	470.099701376814
Cond-001306	NPD1422	NPD1422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9638637943	[C@H]12Cc3c([nH]c4ccccc34)C(CCc3ccccc3)N1C(=O)CN(Cc1ccc(F)cc1)C2=O	InChI=1S/C29H26FN3O2/c30-21-13-10-20(11-14-21)17-32-18-27(34)33-25(15-12-19-6-2-1-3-7-19)28-23(16-26(33)29(32)35)22-8-4-5-9-24(22)31-28/h1-11,13-14,25-26,31H,12,15-18H2/t25?,26-/m1/s1	C29H26FN3O2	467.534	5	1	56.41	6	5	1	-1.7712	4.25318000000001	3.99	7.41	47.6928	135.14	3.4616	417.402049112465
Cond-001307	NPD1423	NPD1423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.019855058	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(OC)cc1)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C31H31N3O3/c1-19(2)21-10-12-22(13-11-21)30-29-25(24-6-4-5-7-26(24)32-29)16-27-31(36)33(18-28(35)34(27)30)17-20-8-14-23(37-3)15-9-20/h4-15,19,27,30,32H,16-18H2,1-3H3/t27-,30?/m1/s1	C31H31N3O3	493.596	6	1	65.64	6	5	1	-1.5042	4.64488000000001	4.21	7.058	60.6269	145.677	3.7844	454.716686214453
Cond-001308	NPD1424	NPD1424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.651477438	COc1ccccc1C(CCNCc1ccc2OCOc2c1)c1ccc2OCOc2c1	InChI=1S/C25H25NO5/c1-27-21-5-3-2-4-20(21)19(18-7-9-23-25(13-18)31-16-29-23)10-11-26-14-17-6-8-22-24(12-17)30-15-28-22/h2-9,12-13,19,26H,10-11,14-16H2,1H3	C25H25NO5	419.47	6	1	58.18	5	8	1	-1.4733	5.66528	3.55	5.084	41.6757	121.0567	3.0944	377.693546247241
Cond-001309	NPD1425	NPD1425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.487210571	O=C1C2Cc3c([nH]c4c3cccc4)C(N2C(=S)N1Cc1ccccc1)c1ccccc1	InChI=1S/C26H21N3OS/c30-25-22-15-20-19-13-7-8-14-21(19)27-23(20)24(18-11-5-2-6-12-18)29(22)26(31)28(25)16-17-9-3-1-4-10-17/h1-14,22,24,27H,15-16H2	C26H21N3OS	423.529	4	1	71.43	6	3	1	-0.406	4.27118000000001	3.77	8.127	42.4733	127.76	3.126	369.165333741597
Cond-001310	NPD1426	NPD1426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6176811094	CCc1c(OC(=O)c2ccccc2C)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C27H22O6/c1-3-17-12-20-24(14-23(17)33-27(29)19-7-5-4-6-16(19)2)32-15-21(26(20)28)18-8-9-22-25(13-18)31-11-10-30-22/h4-9,12-15H,3,10-11H2,1-2H3	C27H22O6	442.46	6	0	71.06	5	5	1	-0.0938999999999996	6.22638	3.77	6.83	50.1122	129.6365	3.2061	402.169605888969
Cond-001311	NPD1427	NPD1427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4781769954	[C@@H]12C[C@@H](CN(CC(=O)c3c(C)n(Cc4ccccc4)c4c3cc(OC)cc4)C1)c1cccc(=O)n1C2	InChI=1S/C30H31N3O3/c1-20-30(25-14-24(36-2)11-12-27(25)32(20)16-21-7-4-3-5-8-21)28(34)19-31-15-22-13-23(18-31)26-9-6-10-29(35)33(26)17-22/h3-12,14,22-23H,13,15-19H2,1-2H3/t22-,23+/m1/s1	C30H31N3O3	481.585	6	0	54.78	6	6	0	-0.807599999999999	4.44678000000001	4.1	4.391	85.4034	141.7005	3.6865	450.957160289386
Cond-001312	NPD1428	NPD1428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3542074364	CCOc1c(OCC)cc(cc1)c1c2n(CCc3cc(OCC)c(OCC)cc23)c2c1cc(OC(C)C)c1ccccc21	InChI=1S/C37H41NO5/c1-7-39-30-16-15-25(20-32(30)40-8-2)35-29-22-31(43-23(5)6)26-13-11-12-14-27(26)36(29)38-18-17-24-19-33(41-9-3)34(42-10-4)21-28(24)37(35)38/h11-16,19-23H,7-10,17-18H2,1-6H3	C37H41NO5	579.725	6	0	51.08	6	11	2	0.972900000000002	10.57017	4.87	8.437	75.3148	181.390999999999	4.5476	543.179526954441
Cond-001313	NPD1429	NPD1429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6107406958	[C@@H]12C[C@@H](CN(C1)C(=S)NC(=O)C13CC4CC(CC(C4)C1)C3)c1cccc(=O)n1C2	InChI=1S/C23H29N3O2S/c27-20-3-1-2-19-18-7-17(12-26(19)20)11-25(13-18)22(29)24-21(28)23-8-14-4-15(9-23)6-16(5-14)10-23/h1-3,14-18H,4-13H2,(H,24,28,29)/t14?,15?,16?,17-,18+,23?/m1/s1	C23H29N3O2S	411.56	5	1	84.74	3	4	0	-0.757099999999999	2.92417	3.33	3.299	114.7028	116.1547	3.063	388.122817470158
Cond-001314	NPD143	NPD143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.363074811	COc1cccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3c(oc2=O)cccc3)c1OC	InChI=1S/C27H20O8/c1-32-19-13-7-10-16(25(19)33-2)20(21-23(28)14-8-3-5-11-17(14)34-26(21)30)22-24(29)15-9-4-6-12-18(15)35-27(22)31/h3-13,20,28-29H,1-2H3	C27H20O8	472.443	8	2	111.52	5	5	1	-0.801600000000001	5.61676	3.55	5.405	52.2705	131.8416	3.28050000000001	417.113600589291
Cond-001315	NPD1430	NPD1430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7268403283	CCC(=O)N(CCC(C(C)C)c1ccc(OC(C)C)cc1)Cc1ccc(OC(C)C)cc1	InChI=1S/C28H41NO3/c1-8-28(30)29(19-23-9-13-25(14-10-23)31-21(4)5)18-17-27(20(2)3)24-11-15-26(16-12-24)32-22(6)7/h9-16,20-22,27H,8,17-19H2,1-7H3	C28H41NO3	439.63	4	0	38.77	2	13	2	-0.478700000000006	6.72389000000001	4.1	8.045	81.6949	134.803	3.8115	465.24334022772
Cond-001316	NPD1431	NPD1431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3748333131	[C@@H]12[C@@H](N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(C)cc1)C(C)O	InChI=1S/C22H21N3O4/c1-11-7-9-13(10-8-11)25-19(27)16-17(20(25)28)22(24-18(16)12(2)26)14-5-3-4-6-15(14)23-21(22)29/h3-10,12,16-18,24,26H,1-2H3,(H,23,29)/t12?,16-,17-,18-,22+/m0/s1	C22H21N3O4	391.42	7	3	98.74	5	2	0	-2.2556	2.0951	3.11	2.383	53.4319	108.3072	2.8126	349.908886085413
Cond-001317	NPD1432	NPD1432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3134120917	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CC(C)C)C2=O)c1ccc(cc1)C(=O)OC	InChI=1S/C26H27N3O4/c1-15(2)13-28-14-22(30)29-21(25(28)31)12-19-18-6-4-5-7-20(18)27-23(19)24(29)16-8-10-17(11-9-16)26(32)33-3/h4-11,15,21,24,27H,12-14H2,1-3H3/t21-,24?/m1/s1	C26H27N3O4	445.51	7	1	82.71	5	5	0	-1.4412	2.82928	3.55	3.83	65.2995	126.469	3.3332	405.55636588808
Cond-001318	NPD1433	NPD1433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4929018167	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCC(C)C)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C28H33N3O2/c1-17(2)13-14-30-16-25(32)31-24(28(30)33)15-22-21-7-5-6-8-23(21)29-26(22)27(31)20-11-9-19(10-12-20)18(3)4/h5-12,17-18,24,27,29H,13-16H2,1-4H3/t24-,27?/m1/s1	C28H33N3O2	443.581	5	1	56.41	5	5	1	-1.1675	4.82168000000001	3.99	7.085	70.4905	134.057	3.5406	425.204340439492
Cond-001319	NPD1434	NPD1434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8662868226	CCOc1cc(c/c(=N\c2ccc(OC)c(OC)c2)/c2c(C)oc(C)c12)c1cc2c(OCO2)cc1	InChI=1S/C28H27NO6/c1-6-32-26-13-19(18-7-9-23-25(12-18)34-15-33-23)11-21(27-16(2)35-17(3)28(26)27)29-20-8-10-22(30-4)24(14-20)31-5/h7-14H,6,15H2,1-5H3/b29-21+	C28H27NO6	473.517	7	0	71.65	5	6	1	0.598099999999998	5.74551000000001	3.77	5.189	72.0702	135.323	3.4898	433.098809423802
Cond-001320	NPD1436	NPD1436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2446183953	CCOc1cc2c(cc1OC)c(nc(n2)c1cc(OC)c(OC)cc1)N1CC2(C)CC1CC(C)(C)C2	InChI=1S/C29H37N3O4/c1-8-36-25-13-21-20(12-24(25)35-7)27(32-17-29(4)15-19(32)14-28(2,3)16-29)31-26(30-21)18-9-10-22(33-5)23(11-18)34-6/h9-13,19H,8,14-17H2,1-7H3	C29H37N3O4	491.622	7	0	65.94	5	7	1	1.785	6.98508	3.88	5.806	80.6442	145.638	3.8419	462.717237167281
Cond-001321	NPD1437	NPD1437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	18.7756091647	Clc1ccc(/C=C/C(=O)NC(=S)N2CCCCC2c2cccnc2)cc1	InChI=1S/C20H20ClN3OS/c21-17-9-6-15(7-10-17)8-11-19(25)23-20(26)24-13-2-1-5-18(24)16-4-3-12-22-14-16/h3-4,6-12,14,18H,1-2,5,13H2,(H,23,25,26)/b11-8+	C20H20ClN3OS	385.91	4	1	77.32	3	6	1	0.350499999999999	4.08658	3	5.221	55.579	110.1647	2.8578	347.37924596163
Cond-001322	NPD1438	NPD1438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.4348732199	Cc1c(CC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(cc1)c1ccccc1	InChI=1S/C26H18O5/c1-15-19-11-21-22(18-9-7-17(8-10-18)16-5-3-2-4-6-16)14-30-23(21)13-24(19)31-26(29)20(15)12-25(27)28/h2-11,13-14H,12H2,1H3,(H,27,28)	C26H18O5	410.418	5	1	76.74	5	4	1	0.2684	6.76548	3.77	7.827	33.0598	124.6398	2.9635	362.546935861741
Cond-001323	NPD144	NPD144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3229620411	CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)NC(C(=O)O)c1ccccc1	InChI=1S/C21H19NO6/c1-12-10-18(23)28-17-11-15(8-9-16(12)17)27-13(2)20(24)22-19(21(25)26)14-6-4-3-5-7-14/h3-11,13,19H,1-2H3,(H,22,24)(H,25,26)	C21H19NO6	381.379	7	2	101.93	3	7	0	-0.575200000000001	2.92917	3	4.204	49.6414	104.2435	2.7637	350.276293145135
Cond-001324	NPD1440	NPD1440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.146794458	COc1cc(/C=C/C(=O)c2cc(Br)ccc2O)cc(OC)c1OC	InChI=1S/C18H17BrO5/c1-22-16-8-11(9-17(23-2)18(16)24-3)4-6-14(20)13-10-12(19)5-7-15(13)21/h4-10,21H,1-3H3/b6-4+	C18H17BrO5	393.229	5	1	64.99	2	6	0	0.370400000000001	3.86228	2.78	3.581	48.7006	97.2288000000001	2.5521	315.514347438773
Cond-001325	NPD1441	NPD1441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8621433474	CCc1c(C)c2cc3c(occ3c3cc4ccccc4cc3)cc2oc1=O	InChI=1S/C24H18O3/c1-3-18-14(2)19-11-20-21(13-26-22(20)12-23(19)27-24(18)25)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,3H2,1-2H3	C24H18O3	354.398	3	0	39.44	5	2	1	0.7803	6.95587	3.77	7.736	31.6418	112.802	2.6503	315.647430610485
Cond-001326	NPD1442	NPD1442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.6871140387	[C@H]12Cc3c([nH]c4ccccc34)C(CCc3ccccc3)N1C(=O)CN(CC=C)C2=O	InChI=1S/C25H25N3O2/c1-2-14-27-16-23(29)28-21(13-12-17-8-4-3-5-9-17)24-19(15-22(28)25(27)30)18-10-6-7-11-20(18)26-24/h2-11,21-22,26H,1,12-16H2/t21?,22-/m1/s1	C25H25N3O2	399.485	5	1	56.41	5	5	1	-1.5434	3.36557	3.66	5.791	56.9675	120.586	3.0749	370.679927861091
Cond-001327	NPD1443	NPD1443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.657103147	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(F)cc1)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C30H28FN3O2/c1-18(2)20-9-11-21(12-10-20)29-28-24(23-5-3-4-6-25(23)32-28)15-26-30(36)33(17-27(35)34(26)29)16-19-7-13-22(31)14-8-19/h3-14,18,26,29,32H,15-17H2,1-2H3/t26-,29?/m1/s1	C30H28FN3O2	481.561	5	1	56.41	6	4	1	-0.972700000000001	4.77538000000001	4.1	7.461	54.1836	139.083	3.60250000000001	434.698033738331
Cond-001328	NPD1444	NPD1444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.0746757183	COc1ccc(/C=C/C(=O)NC(=S)NN2CCCCC2c2cnccc2)cc1	InChI=1S/C21H24N4O2S/c1-27-18-10-7-16(8-11-18)9-12-20(26)23-21(28)24-25-14-3-2-6-19(25)17-5-4-13-22-15-17/h4-5,7-13,15,19H,2-3,6,14H2,1H3,(H2,23,24,26,28)/b12-9+	C21H24N4O2S	396.506	6	2	98.58	3	8	0	-0.4324	2.94638	3	4.314	60.1772	114.8424	3.0348	369.251149725791
Cond-001329	NPD1445	NPD1445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9141257001	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccccc3Cl)cc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C27H21ClO8/c1-4-34-27(31)25-23(15-9-12-20(32-2)22(13-15)33-3)24(29)18-11-10-16(14-21(18)36-25)35-26(30)17-7-5-6-8-19(17)28/h5-14H,4H2,1-3H3	C27H21ClO8	508.904	8	0	97.36	4	9	1	0.218699999999999	5.91316	3.44	6.082	58.2124	136.9915	3.5115	444.681127060524
Cond-001330	NPD1446	NPD1446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6970541884	CCCCCC(=O)Nc1nc2c(cn1)C(=O)CC(C2)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C23H29N3O5/c1-5-6-7-8-21(28)26-23-24-13-16-17(25-23)9-14(10-18(16)27)15-11-19(29-2)22(31-4)20(12-15)30-3/h11-14H,5-10H2,1-4H3,(H,24,25,26,28)	C23H29N3O5	427.493	8	1	99.64	3	10	0	-2.0408	4.76788	3.11	2.899	66.135	119.7802	3.2724	403.344473514241
Cond-001331	NPD1448	NPD1448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8375434359	COc1ccccc1C(CCNC(=O)CC(C(C)C)c1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1	InChI=1S/C34H45NO4/c1-23(2)32(27-14-18-29(19-15-27)39-25(5)6)22-34(36)35-21-20-30(31-10-8-9-11-33(31)37-7)26-12-16-28(17-13-26)38-24(3)4/h8-19,23-25,30,32H,20-22H2,1-7H3,(H,35,36)	C34H45NO4	531.725	5	1	56.79	3	15	2	-0.724300000000001	8.51039	4.65	9.965	82.1795	163.7147	4.47800000000001	546.64363988028
Cond-001332	NPD1449	NPD1449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.8791680016	CCC(=O)N(CCC(C(C)C)c1ccc(OC(C)C)cc1)Cc1ccco1	InChI=1S/C23H33NO3/c1-6-23(25)24(16-21-8-7-15-26-21)14-13-22(17(2)3)19-9-11-20(12-10-19)27-18(4)5/h7-12,15,17-18,22H,6,13-14,16H2,1-5H3	C23H33NO3	371.513	4	0	42.68	2	11	2	-0.530899999999998	5.51049000000001	3.55	6.213	66.4996	113.734	3.15	381.399875799186
Cond-001333	NPD145	NPD145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.6627120306	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC/C/2=N/N=C/c1ccc(F)cc1	InChI=1S/C26H33FN2O/c1-25-13-11-20(30)15-18(25)5-8-21-22-9-10-24(26(22,2)14-12-23(21)25)29-28-16-17-3-6-19(27)7-4-17/h3-7,16,20-23,30H,8-15H2,1-2H3/b28-16+,29-24-/t20?,21?,22?,23?,25-,26-/m0/s1	C26H33FN2O	408.551	3	1	44.95	5	2	1	0.778699999999997	5.40927000000001	3.88	6.741	92.1074	121.8188	3.247	406.602319231737
Cond-001334	NPD1450	NPD1450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9245969208	COc1ccc(cc1OC)c1c/c(=N\c2ccc(C)cc2)/c2ccccc2o1	InChI=1S/C24H21NO3/c1-16-8-11-18(12-9-16)25-20-15-23(28-21-7-5-4-6-19(20)21)17-10-13-22(26-2)24(14-17)27-3/h4-15H,1-3H3/b25-20+	C24H21NO3	371.428	4	0	40.05	4	4	1	0.192999999999999	5.50189	3.66	7.022	37.9271	112.686	2.8587	349.900649519452
Cond-001335	NPD1451	NPD1451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2906036092	COc1c(cccc1)C(=O)Oc1ccc2c(=O)c(c(C)oc2c1)c1ccc(Br)cc1	InChI=1S/C24H17BrO5/c1-14-22(15-7-9-16(25)10-8-15)23(26)18-12-11-17(13-21(18)29-14)30-24(27)19-5-3-4-6-20(19)28-2/h3-13H,1-2H3	C24H17BrO5	465.293	5	0	61.83	4	5	1	0.5929	6.47046	3.44	7.282	43.3304	122.1705	3.0083	373.131502989174
Cond-001336	NPD1454	NPD1454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.914535095	CC(C)C(NC(=O)C(NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(C)C)C(=O)O	InChI=1S/C22H36N2O9/c1-9(2)11(17(25)24-12(10(3)4)19(27)28)23-18(26)15-13-14(31-21(5,6)30-13)16-20(29-15)33-22(7,8)32-16/h9-16,20H,1-8H3,(H,23,26)(H,24,25)(H,27,28)/t11?,12?,13-,14+,15+,16-,20-/m1/s1	C22H36N2O9	472.529	11	3	141.65	3	9	1	-1.3792	0.98299	2.67	1.134	110.269	116.9392	3.4815	445.194928986453
Cond-001337	NPD1455	NPD1455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.6780502333	CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C26H27N3O5S/c1-2-34-22-10-6-19(7-11-22)26(31)27-21-8-12-23(13-9-21)35(32,33)28-15-18-14-20(17-28)24-4-3-5-25(30)29(24)16-18/h3-13,18,20H,2,14-17H2,1H3,(H,27,31)/t18-,20+/m0/s1	C26H27N3O5S	493.575	8	1	104.4	5	7	0	-2.1404	3.86046000000001	3.33	2.772	82.1316	129.6972	3.5554	443.755616646241
Cond-001338	NPD1456	NPD1456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.499696933	[C@@H]12C[C@@H](CN(C1)C(=S)Nc1ccc(C)cc1Br)c1cccc(=O)n1C2	InChI=1S/C19H20BrN3OS/c1-12-5-6-16(15(20)7-12)21-19(25)22-9-13-8-14(11-22)17-3-2-4-18(24)23(17)10-13/h2-7,13-14H,8-11H2,1H3,(H,21,25)/t13-,14+/m1/s1	C19H20BrN3OS	418.351	4	1	67.67	4	3	0	1.0345	4.09428	2.89	3.822	83.9736	109.0547	2.7469	337.972271243696
Cond-001339	NPD1457	NPD1457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.8653170081	[C@@H]12C[C@@H](CN(CN3C(=O)/C(=N\NC(=O)COc4cccc(C)c4C)/c4c3ccc(Br)c4)C1)c1cccc(=O)n1C2	InChI=1S/C30H30BrN5O4/c1-18-5-3-7-26(19(18)2)40-16-27(37)32-33-29-23-12-22(31)9-10-25(23)36(30(29)39)17-34-13-20-11-21(15-34)24-6-4-8-28(38)35(24)14-20/h3-10,12,20-21H,11,13-17H2,1-2H3,(H,32,37)/b33-29-/t20-,21+/m1/s1	C30H30BrN5O4	604.494	9	1	94.55	6	7	0	-0.307300000000001	4.1114	3.66	4.952	106.3413	157.9517	4.0768	509.288067683047
Cond-001340	NPD1458	NPD1458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4533320101	CCCCCCc1c(C)c2cc3c(occ3c3ccc(Br)cc3)c(C)c2oc1=O	InChI=1S/C25H25BrO3/c1-4-5-6-7-8-19-15(2)20-13-21-22(17-9-11-18(26)12-10-17)14-28-23(21)16(3)24(20)29-25(19)27/h9-14H,4-8H2,1-3H3	C25H25BrO3	453.368	3	0	39.44	4	6	1	0.9659	8.15359	3.77	7.627	57.803	125.104	3.1608	380.756410316319
Cond-001341	NPD1459	NPD1459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0778318277	[C@@H]1(Cc2c([nH]c3ccccc23)C(N1)c1cc(OC)c(OCCCCCCCC)cc1)C(=O)O	InChI=1S/C27H34N2O4/c1-3-4-5-6-7-10-15-33-23-14-13-18(16-24(23)32-2)25-26-20(17-22(29-25)27(30)31)19-11-8-9-12-21(19)28-26/h8-9,11-14,16,22,25,28-29H,3-7,10,15,17H2,1-2H3,(H,30,31)/t22-,25?/m1/s1	C27H34N2O4	450.57	6	3	83.58	4	11	2	-3.0967	5.40348000000001	3.77	6.51	62.4208	133.2815	3.5689	429.484966408181
Cond-001342	NPD146	NPD146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.8952620194	[C@@H]12CC(=O)/C(=C(/C)\N(Cc3ccccc3)C(=O)c3ccccc3)/[C@@H]1C2(C)C	InChI=1S/C24H25NO2/c1-16(21-20(26)14-19-22(21)24(19,2)3)25(15-17-10-6-4-7-11-17)23(27)18-12-8-5-9-13-18/h4-13,19,22H,14-15H2,1-3H3/b21-16+/t19-,22-/m1/s1	C24H25NO2	359.461	3	0	37.38	4	5	1	0.291100000000002	4.40308000000001	3.77	7.035	57.1295	107.838	2.886	357.283340220491
Cond-001343	NPD1460	NPD1460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.3170254403	COc1cc2c(cc1OC)C(NCC2)c1c(O)[nH]c(=S)n(C2CC2)c1=O	InChI=1S/C18H21N3O4S/c1-24-12-7-9-5-6-19-15(11(9)8-13(12)25-2)14-16(22)20-18(26)21(17(14)23)10-3-4-10/h7-8,10,15,19,22H,3-6H2,1-2H3,(H,20,26)	C18H21N3O4S	375.442	7	3	115.15	4	4	0	-0.620499999999999	1.35828	2.56	1.582	72.0067	101.4452	2.6501	330.399806442746
Cond-001344	NPD1461	NPD1461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.903745909	OC(=O)CCC(=O)SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C16H18N2O4S2/c19-13-3-1-2-12-11-6-10(8-18(12)13)7-17(9-11)16(23)24-15(22)5-4-14(20)21/h1-3,10-11H,4-9H2,(H,20,21)/t10-,11-/m0/s1	C16H18N2O4S2	366.455	6	1	135.31	3	6	0	0.311900000000002	1.71617	2.34	0.107	96.4251	96.8748	2.5406	326.576559741246
Cond-001345	NPD1462	NPD1462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.024595214	COc1ccc(CN(CCC(C(C)C)c2ccc(OC(C)C)cc2)C(=O)C)cc1	InChI=1S/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3	C25H35NO3	397.55	4	0	38.77	2	11	2	-0.504799999999997	5.55519000000001	3.77	6.909	67.1728	120.974	3.3888	413.355386350119
Cond-001346	NPD1463	NPD1463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8816550642	COc1cc(COc2ccc3c4c(CCCCC4)c(=O)oc3c2C)ccc1	InChI=1S/C23H24O4/c1-15-21(26-14-16-7-6-8-17(13-16)25-2)12-11-19-18-9-4-3-5-10-20(18)23(24)27-22(15)19/h6-8,11-13H,3-5,9-10,14H2,1-2H3	C23H24O4	364.434	4	0	44.76	4	4	1	-0.306	5.70689	3.55	5.394	51.7849	108.861	2.8057	349.20750748838
Cond-001347	NPD1464	NPD1464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.7000241138	CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc(cc1)C(=O)C	InChI=1S/C19H25NO7/c1-10(21)12-5-7-13(8-6-12)25-18-15(20-11(2)22)16(23)17-14(26-18)9-24-19(3,4)27-17/h5-8,14-18,23H,9H2,1-4H3,(H,20,22)/t14-,15-,16-,17-,18-/m1/s1	C19H25NO7	379.404	8	2	103.32	3	5	0	-1.8907	1.74468	2.67	1.42	68.2566	99.555	2.7556	348.556844097963
Cond-001348	NPD1465	NPD1465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0084858771	CCOc1c(OCC)cc(cc1)c1c2n(CCc3cc(OCC)c(OCC)cc23)c2c1cc(O)cc2	InChI=1S/C30H33NO5/c1-5-33-25-12-9-20(16-26(25)34-6-2)29-23-17-21(32)10-11-24(23)31-14-13-19-15-27(35-7-3)28(36-8-4)18-22(19)30(29)31/h9-12,15-18,32H,5-8,13-14H2,1-4H3	C30H33NO5	487.587	6	1	62.08	5	9	1	0.614500000000002	7.29919	4.1	5.581	61.065	147.042	3.7559	450.637010675775
Cond-001349	NPD1466	NPD1466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.383827133	COc1ccc(cc1)C(O)CN1CCc2c(C1)n(C)c(n2)c1cccs1	InChI=1S/C20H23N3O2S/c1-22-17-12-23(13-18(24)14-5-7-15(25-2)8-6-14)10-9-16(17)21-20(22)19-4-3-11-26-19/h3-8,11,18,24H,9-10,12-13H2,1-2H3	C20H23N3O2S	369.481	5	1	78.76	4	5	0	-0.0964000000000005	3.42708	3	3.145	49.6127	104.8878	2.7715	322.974863592558
Cond-001350	NPD1467	NPD1467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0506390162	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(I)cc1	InChI=1S/C14H18INO6/c1-7(18)16-11-13(20)12(19)10(6-17)22-14(11)21-9-4-2-8(15)3-5-9/h2-5,10-14,17,19-20H,6H2,1H3,(H,16,18)/t10-,11-,12-,13-,14-/m1/s1	C14H18INO6	423.2	7	4	108.25	2	5	0	-0.9517	0.34838	2.12	1.568	59.2254	90.4561	2.4022	293.556413339933
Cond-001351	NPD1468	NPD1468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9919587015	Cc1cc(ccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C25H25N3O4S/c1-17-4-2-5-19(12-17)25(30)26-21-8-10-22(11-9-21)33(31,32)27-14-18-13-20(16-27)23-6-3-7-24(29)28(23)15-18/h2-12,18,20H,13-16H2,1H3,(H,26,30)/t18-,20-/m0/s1	C25H25N3O4S	463.549	7	1	95.17	5	5	0	-1.697	3.48978000000001	3.33	3.749	76.0241	122.1682	3.3558	417.669405319814
Cond-001352	NPD1469	NPD1469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9772396975	COc1c(cccc1)c1coc2cc(OCc3ccc(cc3)N(=O)=O)ccc2c1=O	InChI=1S/C23H17NO6/c1-28-21-5-3-2-4-18(21)20-14-30-22-12-17(10-11-19(22)23(20)25)29-13-15-6-8-16(9-7-15)24(26)27/h2-12,14H,13H2,1H3	C23H17NO6	403.384	7	0	87.9	4	6	1	-0.2009	4.60457	3.22	5.886	32.8424	114.938	2.8509	356.338886294468
Cond-001353	NPD147	NPD147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4440033742	COc1ccc(NC(=O)c2c(NC3OC(=O)c4c3ccc(OC)c4OC)nccn2)cc1	InChI=1S/C22H20N4O6/c1-29-13-6-4-12(5-7-13)25-20(27)17-19(24-11-10-23-17)26-21-14-8-9-15(30-2)18(31-3)16(14)22(28)32-21/h4-11,21H,1-3H3,(H,24,26)(H,25,27)	C22H20N4O6	436.417	10	2	120.9	4	8	0	-1.1695	3.91798	2.78	3.059	42.1581	117.2999	3.0524	374.669640993902
Cond-001354	NPD1470	NPD1470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6455327919	CCOc1ccc(cc1OCC)C1N(C(=O)Cc2cc(OCC)c(OCC)cc12)c1ccc(cc1)C(=O)OC	InChI=1S/C31H35NO7/c1-6-36-25-15-12-21(16-26(25)37-7-2)30-24-19-28(39-9-4)27(38-8-3)17-22(24)18-29(33)32(30)23-13-10-20(11-14-23)31(34)35-5/h10-17,19,30H,6-9,18H2,1-5H3	C31H35NO7	533.612	8	0	83.53	4	12	2	0.155200000000001	5.35729000000001	3.99	5.554	73.8154	149.691	4.0798	506.133448702764
Cond-001355	NPD1471	NPD1471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7154623002	CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc1=O	InChI=1S/C20H17BrO4/c1-3-16-12(2)17-9-8-15(10-19(17)25-20(16)23)24-11-18(22)13-4-6-14(21)7-5-13/h4-10H,3,11H2,1-2H3	C20H17BrO4	401.251	4	0	52.6	3	5	0	1.2035	5.36527	3.11	4.952	50.1489	103.1715	2.6236	326.323172588346
Cond-001356	NPD1472	NPD1472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2121966397	COc1c(cccc1)c1c(C)oc2cc(OC(=O)c3cccc(c3)N(=O)=O)ccc2c1=O	InChI=1S/C24H17NO7/c1-14-22(18-8-3-4-9-20(18)30-2)23(26)19-11-10-17(13-21(19)31-14)32-24(27)15-6-5-7-16(12-15)25(28)29/h3-13H,1-2H3	C24H17NO7	431.394	8	0	104.97	4	6	1	0.3642	5.47516	3.22	6.181	38.6213	122.9985	3.0075	379.788638920096
Cond-001357	NPD1473	NPD1473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.7432740991	COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1OC	InChI=1S/C19H22N2O5/c1-24-14-9-10-15(17(12-14)25-2)20-19(23)21-16(18(22)26-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1	C19H22N2O5	358.388	7	2	85.89	2	10	0	-0.8148	2.80768	2.78	4.288	44.7508	100.7474	2.7176	335.520233503407
Cond-001358	NPD1474	NPD1474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5899369821	Cc1cc(OCC(=O)c2cc3ccccc3cc2)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C24H20O4/c1-14-10-21(23-15(2)16(3)24(26)28-22(23)11-14)27-13-20(25)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3	C24H20O4	372.413	4	0	52.6	4	4	1	1.2918	5.39389	3.66	6.886	42.2035	112.0005	2.8176	347.694116011846
Cond-001359	NPD1475	NPD1475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.12789429	CCc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1	InChI=1S/C21H21NO4/c1-4-15-5-7-16(8-6-15)22-19(23)12-25-18-10-9-17-13(2)11-20(24)26-21(17)14(18)3/h5-11H,4,12H2,1-3H3,(H,22,23)	C21H21NO4	351.396	5	1	64.63	3	6	0	0.6746	5.32438	3.22	4.832	50.2924	106.1247	2.6893	335.332298444813
Cond-001360	NPD1476	NPD1476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.227057825	[C@@H]12CC(=O)/C(=C(/C)\NC(CO)C(O)c3ccc(cc3)N(=O)=O)/[C@@H]1C2(C)C	InChI=1S/C19H24N2O5/c1-10(16-15(23)8-13-17(16)19(13,2)3)20-14(9-22)18(24)11-4-6-12(7-5-11)21(25)26/h4-7,13-14,17-18,20,22,24H,8-9H2,1-3H3/b16-10+/t13-,14?,17-,18?/m1/s1	C19H24N2O5	360.404	7	3	112.7	3	6	0	0.1442	1.77568	2.78	2.878	68.803	99.2193000000001	2.695	339.336692204207
Cond-001361	NPD1477	NPD1477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.400533398	CCOC(=O)c1ccc(NC(=S)N2CCCCC2c2cccnc2)cc1	InChI=1S/C20H23N3O2S/c1-2-25-19(24)15-8-10-17(11-9-15)22-20(26)23-13-4-3-7-18(23)16-6-5-12-21-14-16/h5-6,8-12,14,18H,2-4,7,13H2,1H3,(H,22,26)	C20H23N3O2S	369.481	5	1	86.55	3	7	0	-0.369800000000001	3.80959	3	4.901	51.0606	108.3977	2.8371	343.594863592558
Cond-001362	NPD1478	NPD1478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0501567398	COc1c2OCOc2cc2c1C(N(C)CC2)c1c(O)n(C2CC2)c(=S)[nH]c1=O	InChI=1S/C19H21N3O5S/c1-21-6-5-9-7-11-15(27-8-26-11)16(25-2)12(9)14(21)13-17(23)20-19(28)22(18(13)24)10-3-4-10/h7,10,14,24H,3-6,8H2,1-2H3,(H,20,23,28)	C19H21N3O5S	403.452	8	2	115.59	5	3	0	-0.335499999999999	2.47687	2.56	1.466	77.4577	110.0315	2.7411	344.129559068374
Cond-001363	NPD1479	NPD1479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0283604799	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccncc1)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C26H21N5O4/c32-23-15-29(14-16-8-10-27-11-9-16)26(33)22-13-20-19-6-1-2-7-21(19)28-24(20)25(30(22)23)17-4-3-5-18(12-17)31(34)35/h1-12,22,25,28H,13-15H2/t22-,25?/m1/s1	C26H21N5O4	467.476	9	1	112.44	6	4	0	-1.3652	2.67508000000001	3.33	3.96	42.9333	131.359	3.2952	396.384051501213
Cond-001364	NPD148	NPD148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.4090019569	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC	InChI=1S/C32H54O2/c1-5-7-9-10-11-12-13-24-16-18-28-27-17-15-25-23-26(34-30(33)14-8-6-2)19-21-32(25,4)29(27)20-22-31(24,28)3/h15,24,26-29H,5-14,16-23H2,1-4H3/t24?,26-,27?,28?,29?,31+,32-/m0/s1	C32H54O2	470.77	2	0	26.3	4	12	2	-1.1883	9.57808	4.76	12.771	127.6045	145.564	4.2144	524.909667924858
Cond-001365	NPD1480	NPD1480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7031589101	CCCCn1c(=O)[nH]c(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C19H22N4O3/c1-2-3-10-23-18(25)14(17(24)22-19(23)26)16-15-12(8-9-20-16)11-6-4-5-7-13(11)21-15/h4-7,16,20-21,24H,2-3,8-10H2,1H3,(H,22,26)	C19H22N4O3	354.403	7	4	97.46	4	4	0	-1.7231	1.58257	2.78	2.424	59.8972	100.8332	2.6256	317.856841817819
Cond-001366	NPD1481	NPD1481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9793914414	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cccc3)[C@@H]1C(=O)N(C(=O)[C@H]21)c1cccc(Cl)c1	InChI=1S/C22H18ClN3O3/c23-12-5-3-6-13(11-12)26-19(27)17-16-9-4-10-25(16)22(18(17)20(26)28)14-7-1-2-8-15(14)24-21(22)29/h1-3,5-8,11,16-18H,4,9-10H2,(H,24,29)/t16-,17+,18-,22+/m0/s1	C22H18ClN3O3	407.85	6	1	69.72	6	1	0	-1.8247	3.84588	3.11	2.51	51.8176	110.8007	2.7677	343.973268454485
Cond-001367	NPD1482	NPD1482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0090204922	CCc1c(C)c2cc3c(occ3c3ccc(cc3)c3ccccc3)cc2oc1=O	InChI=1S/C26H20O3/c1-3-20-16(2)21-13-22-23(15-28-24(22)14-25(21)29-26(20)27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3	C26H20O3	380.435	3	0	39.44	5	3	1	0.7803	7.51807000000001	3.99	9.09	31.6418	121.616	2.8891	347.602941161419
Cond-001368	NPD1483	NPD1483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9998039023	COC(=O)Cc1c(C)c2ccc(OCc3ccccc3OC)cc2oc1=O	InChI=1S/C21H20O6/c1-13-16-9-8-15(26-12-14-6-4-5-7-18(14)24-2)10-19(16)27-21(23)17(13)11-20(22)25-3/h4-10H,11-12H2,1-3H3	C21H20O6	368.38	6	0	71.06	3	7	0	0.4792	4.29777000000001	3.11	3.858	49.8569	104.443	2.7069	341.915991637768
Cond-001369	NPD1484	NPD1484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.7790127412	Cc1ccc(cc1)C(CCNC(=O)CC(C1CCOCC1(C)C)c1ccccc1)c1ccco1	InChI=1S/C30H37NO3/c1-22-11-13-24(14-12-22)25(28-10-7-18-34-28)15-17-31-29(32)20-26(23-8-5-4-6-9-23)27-16-19-33-21-30(27,2)3/h4-14,18,25-27H,15-17,19-21H2,1-3H3,(H,31,32)	C30H37NO3	459.62	4	1	51.47	4	10	1	0.00390000000000035	6.39961000000001	4.32	9.678	65.0342	137.0827	3.7901	458.949474676253
Cond-001370	NPD1485	NPD1485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.144941924	[C@@H]1(Cc2c([nH]c3ccccc23)C(N1)c1cc(OC)c(OCc2ccc(Cl)cc2)cc1)C(=O)O	InChI=1S/C26H23ClN2O4/c1-32-23-12-16(8-11-22(23)33-14-15-6-9-17(27)10-7-15)24-25-19(13-21(29-24)26(30)31)18-4-2-3-5-20(18)28-25/h2-12,21,24,28-29H,13-14H2,1H3,(H,30,31)/t21-,24?/m1/s1	C26H23ClN2O4	462.925	6	3	83.58	5	6	1	-0.6757	4.55708	3.55	5.255	44.6681	129.4385	3.31280000000001	396.234214749547
Cond-001371	NPD1486	NPD1486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.8165673094	COC(=O)[C@@H]1CCCN1C(=O)Nc1c(OC)cc2c(oc3c2cccc3)c1	InChI=1S/C20H20N2O5/c1-25-18-10-13-12-6-3-4-8-16(12)27-17(13)11-14(18)21-20(24)22-9-5-7-15(22)19(23)26-2/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,21,24)/t15-/m0/s1	C20H20N2O5	368.383	7	1	81.01	4	6	0	-1.5439	4.52397	2.89	2.959	44.7241	106.6837	2.6413	317.203300727674
Cond-001372	NPD1487	NPD1487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8993202005	CCOc1cc(cc(OCC)c1OCC)C(=O)Oc1cc(=O)oc2ccccc12	InChI=1S/C22H22O7/c1-4-25-18-11-14(12-19(26-5-2)21(18)27-6-3)22(24)29-17-13-20(23)28-16-10-8-7-9-15(16)17/h7-13H,4-6H2,1-3H3	C22H22O7	398.406	7	0	80.29	3	9	0	0.327899999999999	4.55157	3.11	4.533	56.9834	109.6605	2.9065	368.002202964196
Cond-001373	NPD1488	NPD1488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9413486826	CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(OC)cc3)c12	InChI=1S/C23H24O5/c1-4-5-6-17-13-22(25)28-21-12-15(2)11-20(23(17)21)27-14-19(24)16-7-9-18(26-3)10-8-16/h7-13H,4-6,14H2,1-3H3	C23H24O5	380.434	5	0	61.83	3	8	1	-0.417400000000002	5.02949	3.44	5.354	56.2474	110.2805	2.93	367.717734188941
Cond-001374	NPD1489	NPD1489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7548779292	CCc1c(C)c2ccc(OCC(=O)c3cc4ccccc4cc3)cc2oc1=O	InChI=1S/C24H20O4/c1-3-20-15(2)21-11-10-19(13-23(21)28-24(20)26)27-14-22(25)18-9-8-16-6-4-5-7-17(16)12-18/h4-13H,3,14H2,1-2H3	C24H20O4	372.413	4	0	52.6	4	5	1	0.314700000000001	5.75597	3.66	7.027	41.5498	112.9775	2.8176	347.694116011846
Cond-001375	NPD1490	NPD1490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4077804793	CCCc1cc(=O)oc2c(C)c3c(cc12)c(co3)c1ccc(Br)cc1	InChI=1S/C21H17BrO3/c1-3-4-14-9-19(23)25-21-12(2)20-17(10-16(14)21)18(11-24-20)13-5-7-15(22)8-6-13/h5-11H,3-4H2,1-2H3	C21H17BrO3	397.262	3	0	39.44	4	3	1	1.2768	6.59319	3.33	5.739	44.7111	106.636	2.5972	311.572471812852
Cond-001376	NPD1491	NPD1491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0889799855	COc1c(OC)cc(CCN(C)c2ncnc3c2[nH]c2c3cccc2)cc1	InChI=1S/C21H22N4O2/c1-25(11-10-14-8-9-17(26-2)18(12-14)27-3)21-20-19(22-13-23-21)15-6-4-5-7-16(15)24-20/h4-9,12-13,24H,10-11H2,1-3H3	C21H22N4O2	362.425	6	1	63.27	4	6	0	-0.141299999999999	4.54087	3.11	3.769	35.6903	111.47	2.7627	316.585666967391
Cond-001377	NPD1492	NPD1492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6302582131	COc1c(NC(=S)NC(=O)/C=C/c2cc(OC)c(OC)cc2)cc2oc3c(cccc3)c2c1	InChI=1S/C25H22N2O5S/c1-29-20-10-8-15(12-23(20)31-3)9-11-24(28)27-25(33)26-18-14-21-17(13-22(18)30-2)16-6-4-5-7-19(16)32-21/h4-14H,1-3H3,(H2,26,27,28,33)/b11-9+	C25H22N2O5S	462.518	7	2	114.05	4	9	1	0.1995	5.71556	3.33	5.147	56.685	137.8024	3.3373	400.746413111408
Cond-001378	NPD1493	NPD1493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1605043036	O=C1C2Cc3c([nH]c4c3cccc4)C(N2C(=S)N1c1c2ccccc2ccc1)c1ccccc1	InChI=1S/C29H21N3OS/c33-28-25-17-22-21-14-6-7-15-23(21)30-26(22)27(19-10-2-1-3-11-19)31(25)29(34)32(28)24-16-8-12-18-9-4-5-13-20(18)24/h1-16,25,27,30H,17H2	C29H21N3OS	459.562	4	1	71.43	7	2	1	-0.4176	6.29537000000001	4.1	9.427	37.7611	143.382	3.35410000000001	392.523911516797
Cond-001379	NPD1494	NPD1494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1605043036	O=C([C@H]1[C@@]2([C@@H]3CCCN3[C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1)c1ccccc1	InChI=1S/C28H23N3O3/c32-23(17-9-2-1-3-10-17)24-27(18-11-4-6-13-20(18)29-25(27)33)22-15-8-16-31(22)28(24)19-12-5-7-14-21(19)30-26(28)34/h1-7,9-14,22,24H,8,15-16H2,(H,29,33)(H,30,34)/t22-,24-,27+,28+/m0/s1	C28H23N3O3	449.501	6	2	78.51	7	2	0	-2.9344	4.84888	3.88	4.801	45.6054	130.7069	3.25310000000001	401.372273636052
Cond-001380	NPD1495	NPD1495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7456661414	COc1ccc(cc1OC)c1c/c(=N\c2cc3c(OCO3)cc2)/c2ccccc2o1	InChI=1S/C24H19NO5/c1-26-20-9-7-15(11-23(20)27-2)22-13-18(17-5-3-4-6-19(17)30-22)25-16-8-10-21-24(12-16)29-14-28-21/h3-13H,14H2,1-2H3/b25-18+	C24H19NO5	401.411	6	0	58.51	5	4	1	-0.751700000000001	5.70336	3.44	5.527	39.8971	117.23	2.8675	355.124644219774
Cond-001381	NPD1496	NPD1496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8780458237	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c([O-])n(c(=O)n(c1=O)c1ccccc1)c1ccccc1	InChI=1S/C28H25N3O6/c1-29-14-13-17-15-20-24(37-16-36-20)25(35-2)21(17)23(29)22-26(32)30(18-9-5-3-6-10-18)28(34)31(27(22)33)19-11-7-4-8-12-19/h3-12,15,23,32H,13-14,16H2,1-2H3	C28H25N3O6	499.515	9	1	95.81	6	4	0	-2.7431	3.71055	3.55	4.938	55.0699	140.0177	3.5378	440.099412438536
Cond-001382	NPD1497	NPD1497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7725794346	COc1ccc(NC(=O)CC2(CCOC(C2)C(C)C)c2c(OC)cccc2)cc1	InChI=1S/C24H31NO4/c1-17(2)22-15-24(13-14-29-22,20-7-5-6-8-21(20)28-4)16-23(26)25-18-9-11-19(27-3)12-10-18/h5-12,17,22H,13-16H2,1-4H3,(H,25,26)	C24H31NO4	397.507	5	1	56.79	3	8	1	-0.375399999999999	5.63938000000001	3.55	5.105	62.557	118.2107	3.198	392.493169724014
Cond-001383	NPD1498	NPD1498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.4424393279	COc1cc(ccc1)C(=O)Oc1ccc2c(=O)c(c(C)oc2c1)c1c(OC)cccc1	InChI=1S/C25H20O6/c1-15-23(19-9-4-5-10-21(19)29-3)24(26)20-12-11-18(14-22(20)30-15)31-25(27)16-7-6-8-17(13-16)28-2/h4-14H,1-3H3	C25H20O6	416.423	6	0	71.06	4	6	1	-0.347700000000001	5.71656	3.55	5.85	42.0471	121.0225	3.0329	379.934095338035
Cond-001384	NPD15	NPD15	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1838903511	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCN1CCOCC1	InChI=1S/C26H39NO4/c1-25-10-7-19(28)17-18(25)3-4-20-21-5-6-23(26(21,2)11-8-22(20)25)31-24(29)9-12-27-13-15-30-16-14-27/h17,20-23H,3-16H2,1-2H3/t20?,21?,22?,23?,25-,26-/m0/s1	C26H39NO4	429.592	5	0	55.84	5	5	0	0.582600000000004	4.31248000000001	3.77	3.658	118.2925	121.439	3.4346	434.718056377347
Cond-001385	NPD1500	NPD1500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.785916472	COc1c(cccc1)c1c(C)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc2c1=O	InChI=1S/C24H19NO6/c1-15-23(19-5-3-4-6-21(19)29-2)24(26)20-12-11-18(13-22(20)31-15)30-14-16-7-9-17(10-8-16)25(27)28/h3-13H,14H2,1-2H3	C24H19NO6	417.411	7	0	87.9	4	6	1	0.3128	4.49388	3.33	6.122	38.6609	117.494	2.9918	373.634870920335
Cond-001386	NPD1501	NPD1501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.8231300764	CN(C)C/C=C\1/C(c2ccccc2)c2c(OC(=C1Cl)c1ccc(C)cc1)cccc2	InChI=1S/C27H26ClNO/c1-19-13-15-21(16-14-19)27-26(28)23(17-18-29(2)3)25(20-9-5-4-6-10-20)22-11-7-8-12-24(22)30-27/h4-17,25H,18H2,1-3H3/b23-17-	C27H26ClNO	415.954	2	0	12.47	4	4	1	1.4452	6.61680000000001	4.1	10.26	53.2333	124.915	3.2864	399.419217766363
Cond-001387	NPD1502	NPD1502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7299892744	[C@H]12Cc3c([nH]c4ccccc34)C(CCc3ccccc3)N1C(=O)CN(CCCCC)C2=O	InChI=1S/C27H31N3O2/c1-2-3-9-16-29-18-25(31)30-23(15-14-19-10-5-4-6-11-19)26-21(17-24(30)27(29)32)20-12-7-8-13-22(20)28-26/h4-8,10-13,23-24,28H,2-3,9,14-18H2,1H3/t23?,24-/m1/s1	C27H31N3O2	429.554	5	1	56.41	5	7	1	-3.0636	4.44358000000001	3.88	7.095	61.4538	130.184	3.3997	407.908355813625
Cond-001388	NPD1503	NPD1503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1818181818	CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C21H27NO9/c1-11-6-8-16(9-7-11)30-21-18(22-12(2)23)20(29-15(5)26)19(28-14(4)25)17(31-21)10-27-13(3)24/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17-,18-,19-,20-,21-/m1/s1	C21H27NO9	437.44	10	1	126.46	2	11	1	-0.592500000000002	1.4842	2.67	2.401	78.2358	110.0207	3.1774	407.812808050019
Cond-001389	NPD1504	NPD1504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7808219178	Cn1c2c(n(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cn2)c(=O)n(C)c1=O	InChI=1S/C19H22N6O3/c1-21-17-16(18(27)22(2)19(21)28)24(10-20-17)11-23-7-12-6-13(9-23)14-4-3-5-15(26)25(14)8-12/h3-5,10,12-13H,6-9,11H2,1-2H3/t12-,13+/m1/s1	C19H22N6O3	382.416	9	0	81.99	5	2	0	-1.2824	1.32826	2.56	-0.71	88.2463	104.5205	2.7166	338.393903533352
Cond-001390	NPD1505	NPD1505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1566767642	CCCc1c(OC(=O)N2CCOCC2)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C26H27NO7/c1-3-4-17-13-19-22(15-21(17)34-26(29)27-7-9-30-10-8-27)33-16(2)24(25(19)28)18-5-6-20-23(14-18)32-12-11-31-20/h5-6,13-15H,3-4,7-12H2,1-2H3	C26H27NO7	465.495	8	0	83.53	5	6	0	-0.804000000000001	5.16525000000001	3.44	3.948	76.7228	131.8125	3.3527	423.46998427423
Cond-001391	NPD1506	NPD1506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.442599103	CCCCNC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12	InChI=1S/C18H30N2O7/c1-6-7-8-19-10(21)9-20-15(22)13-11-12(25-17(2,3)24-11)14-16(23-13)27-18(4,5)26-14/h11-14,16H,6-9H2,1-5H3,(H,19,21)(H,20,22)/t11-,12+,13+,14-,16-/m1/s1	C18H30N2O7	386.44	9	2	104.35	3	8	0	-2.6859	0.64929	2.45	0.74	88.8646	96.6934	2.8435	361.066995782663
Cond-001392	NPD1508	NPD1508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.5102483723	CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1c2ccccc2ccc1	InChI=1S/C21H25NO6/c1-12(23)22-17-18(24)19-16(11-25-21(2,3)28-19)27-20(17)26-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16-20,24H,11H2,1-3H3,(H,22,23)/t16-,17-,18-,19-,20-/m1/s1	C21H25NO6	387.426	7	2	86.25	4	4	0	-1.6368	2.69528	3	3.794	57.4862	107.0565	2.8271	348.465669247535
Cond-001393	NPD1509	NPD1509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.067003292	CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)c(C)c2oc1=O	InChI=1S/C21H19BrO4/c1-4-16-12(2)17-9-10-19(13(3)20(17)26-21(16)24)25-11-18(23)14-5-7-15(22)8-6-14/h5-10H,4,11H2,1-3H3	C21H19BrO4	415.277	4	0	52.6	3	5	1	1.8455	5.94879	3.22	5.064	55.651	109.1385	2.7645	343.619157214213
Cond-001394	NPD151	NPD151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.07035127	COc1ccc(cc1OC)C(CC(=O)c1ccc(OC)c(OC)c1)C#N	InChI=1S/C20H21NO5/c1-23-17-7-5-13(10-19(17)25-3)15(12-21)9-16(22)14-6-8-18(24-2)20(11-14)26-4/h5-8,10-11,15H,9H2,1-4H3	C20H21NO5	355.384	6	0	77.78	2	8	0	-0.546200000000001	3.66739	3	2.148	48.9786	97.9115000000001	2.7157	339.182999220307
Cond-001395	NPD1510	NPD1510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1442599103	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cccc3)[C@@H]1C(=O)N(C(=O)[C@H]21)c1ccccc1C(=O)OC	InChI=1S/C24H21N3O5/c1-32-22(30)13-7-2-5-10-16(13)27-20(28)18-17-11-6-12-26(17)24(19(18)21(27)29)14-8-3-4-9-15(14)25-23(24)31/h2-5,7-10,17-19H,6,11-12H2,1H3,(H,25,31)/t17-,18+,19-,24+/m0/s1	C24H21N3O5	431.441	8	1	96.02	6	3	0	-2.5578	2.18649	3.22	2.183	58.1904	116.4847	3.0015	378.298164636108
Cond-001396	NPD1511	NPD1511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7798258961	[C@H]12Cc3ccccc3CN1C(=O)N(CCCCCCCCCCCC)C2=O	InChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-24-22(26)21-17-19-14-11-12-15-20(19)18-25(21)23(24)27/h11-12,14-15,21H,2-10,13,16-18H2,1H3/t21-/m1/s1	C23H34N2O2	370.528	4	0	40.62	3	11	2	-3.6514	4.55489000000001	3.55	7.716	67.5114	110.528	3.1255	384.786409306791
Cond-001397	NPD1512	NPD1512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	13.2532512658	COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1c(OC)cc2c(oc3c2cccc3)c1	InChI=1S/C26H23N3O5/c1-32-24-12-18-17-8-4-6-10-22(17)34-23(18)13-20(24)28-26(31)29-21(25(30)33-2)11-15-14-27-19-9-5-3-7-16(15)19/h3-10,12-14,21,27H,11H2,1-2H3,(H2,28,29,31)/t21-/m0/s1	C26H23N3O5	457.478	8	3	105.59	5	9	0	-1.3375	5.02916000000001	3.44	4.598	42.3541	136.9664	3.30590000000001	387.273675187041
Cond-001398	NPD1513	NPD1513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.027896357	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(C1CCCC1)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C28H31N3O2/c1-17(2)18-11-13-19(14-12-18)27-26-22(21-9-5-6-10-23(21)29-26)15-24-28(33)30(16-25(32)31(24)27)20-7-3-4-8-20/h5-6,9-14,17,20,24,27,29H,3-4,7-8,15-16H2,1-2H3/t24-,27?/m1/s1	C28H31N3O2	441.565	5	1	56.41	6	3	1	-2.6664	4.71818000000001	3.99	6.486	63.6432	131.991	3.432	412.847881738692
Cond-001399	NPD1514	NPD1514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.5120921686	CCc1c(OC(=O)N(C)C)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C23H23NO6/c1-4-14-10-16-20(12-19(14)30-23(26)24(2)3)29-13-17(22(16)25)15-6-7-18-21(11-15)28-9-5-8-27-18/h6-7,10-13H,4-5,8-9H2,1-3H3	C23H23NO6	409.432	7	0	74.3	4	5	0	-0.812199999999999	5.00455000000001	3.22	3.901	61.4162	118.4905	2.9799	375.148262396869
Cond-001400	NPD1515	NPD1515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.56934379	COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C25H25N3O5S/c1-33-21-9-5-18(6-10-21)25(30)26-20-7-11-22(12-8-20)34(31,32)27-14-17-13-19(16-27)23-3-2-4-24(29)28(23)15-17/h2-12,17,19H,13-16H2,1H3,(H,26,30)/t17-,19-/m0/s1	C25H25N3O5S	479.548	8	1	104.4	5	6	0	-2.3908	3.47036000000001	3.22	2.349	77.8378	125.0802	3.4145	426.459632020375
Cond-001401	NPD1516	NPD1516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0849066337	CCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)c(Cl)cc12	InChI=1S/C19H15ClO5/c1-3-11-8-18(21)24-16-10-17(15(20)9-14(11)16)25-19(22)12-4-6-13(23-2)7-5-12/h4-10H,3H2,1-2H3	C19H15ClO5	358.772	5	0	61.83	3	5	0	0.982699999999999	4.83217	2.89	4.563	44.8887	97.5495	2.4888	313.744863455907
Cond-001402	NPD1517	NPD1517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2962834317	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1c(C)n(C)c3c1cccc3)C2=O	InChI=1S/C24H33N3O/c1-5-11-23-13-26-15-24(12-6-2,22(23)28)16-27(14-23)21(26)20-17(3)25(4)19-10-8-7-9-18(19)20/h7-10,21H,5-6,11-16H2,1-4H3/t21?,23-,24+	C24H33N3O	379.538	4	0	28.48	2	5	0	-0.591999999999997	4.2898	3.66	4.178	80.0879	115.641	3.0903	368.676010038664
Cond-001403	NPD1519	NPD1519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.791732331	CCCCCOc1cc2c(cc1)n1CCc3cc(OCC)c(OCC)cc3c1c2c1cc(OCC)c(OCC)cc1	InChI=1S/C35H43NO5/c1-6-11-12-19-41-26-14-15-29-28(22-26)34(25-13-16-30(37-7-2)31(21-25)38-8-3)35-27-23-33(40-10-5)32(39-9-4)20-24(27)17-18-36(29)35/h13-16,20-23H,6-12,17-19H2,1-5H3	C35H43NO5	557.72	6	0	51.08	5	14	2	0.119600000000002	9.29278999999999	4.65	8.019	79.4652	170.039	4.4604	537.116933805108
Cond-001404	NPD152	NPD152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7300687582	CCC1(C)C[C@@](CCNCc2ccc(OC)cc2)(CCO1)c1ccc(C)cc1	InChI=1S/C25H35NO2/c1-5-24(3)19-25(15-17-28-24,22-10-6-20(2)7-11-22)14-16-26-18-21-8-12-23(27-4)13-9-21/h6-13,26H,5,14-19H2,1-4H3/t24?,25-/m1/s1	C25H35NO2	381.551	3	1	30.49	3	8	1	0.431	5.28131000000001	3.88	7.632	64.9981	116.2647	3.2645	394.845159649558
Cond-001405	NPD1520	NPD1520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3640323584	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccccc3Br)cc2o1)c1ccc(Br)cc1	InChI=1S/C25H16Br2O6/c1-2-31-25(30)23-21(14-7-9-15(26)10-8-14)22(28)18-12-11-16(13-20(18)33-23)32-24(29)17-5-3-4-6-19(17)27/h3-13H,2H2,1H3	C25H16Br2O6	572.199	6	0	78.9	4	7	1	1.3556	6.76756	3.33	7.742	55.1634	134.2775	3.3399	415.864874592369
Cond-001406	NPD1521	NPD1521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.536428658	COc1cc(cc(OC)c1OC)C1Nc2c(cccc2)N=C2CC(CC(=C12)O)c1cc(OC)c(OC)cc1	InChI=1S/C30H32N2O6/c1-34-24-11-10-17(14-25(24)35-2)18-12-22-28(23(33)13-18)29(32-21-9-7-6-8-20(21)31-22)19-15-26(36-3)30(38-5)27(16-19)37-4/h6-11,14-16,18,29,32-33H,12-13H2,1-5H3	C30H32N2O6	516.585	8	2	90.77	5	7	0	-1.3352	5.84138	3.88	4.2	72.8014	146.9415	3.8714	478.687538883703
Cond-001407	NPD1522	NPD1522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9903416462	[C@H]12C=Cc3c(cccc3)N1[C@H](C(=O)N)[C@@H]1C(=O)N(C(=O)[C@H]21)c1c(cccc1)C(=O)OC	InChI=1S/C23H19N3O5/c1-31-23(30)13-7-3-5-9-15(13)26-21(28)17-16-11-10-12-6-2-4-8-14(12)25(16)19(20(24)27)18(17)22(26)29/h2-11,16-19H,1H3,(H2,24,27)/t16-,17-,18-,19+/m1/s1	C23H19N3O5	417.414	8	2	110.01	5	4	0	-1.3978	1.13398	3.11	2.304	58.9934	113.9394	2.92620000000001	370.722180010241
Cond-001408	NPD1523	NPD1523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9739362347	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cccc3)[C@@H]1C(=O)N(C(=O)[C@H]21)c1ccc(OC)cc1	InChI=1S/C23H21N3O4/c1-30-14-10-8-13(9-11-14)26-20(27)18-17-7-4-12-25(17)23(19(18)21(26)28)15-5-2-3-6-16(15)24-22(23)29/h2-3,5-6,8-11,17-19H,4,7,12H2,1H3,(H,24,29)/t17-,18+,19-,23+/m0/s1	C23H21N3O4	403.431	7	1	78.95	6	2	0	-2.6208	3.20108	3.22	1.97	53.5178	112.3427	2.8449	354.84841201048
Cond-001409	NPD1524	NPD1524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4642987029	COc1c2C(CN/C=C/3\C(=O)NC(=O)N(C3=O)c3ccc(F)cc3)N(C)CCc2cc2c1OCO2	InChI=1S/C24H23FN4O6/c1-28-8-7-13-9-18-20(35-12-34-18)21(33-2)19(13)17(28)11-26-10-16-22(30)27-24(32)29(23(16)31)15-5-3-14(25)4-6-15/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,32)/b16-10+	C24H23FN4O6	482.461	10	2	109.44	5	5	0	-1.0748	3.25086	2.89	2.598	72.995	128.7094	3.2863	416.509169095942
Cond-001410	NPD1525	NPD1525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0063037944	CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1cc(OC)c(OC)cc1	InChI=1S/C35H38N2O6/c1-5-6-7-12-32(39)37-28-11-9-8-10-26(28)36-27-19-25(24-17-18-30(41-2)31(21-24)42-3)20-29(38)33(27)34(37)22-13-15-23(16-14-22)35(40)43-4/h8-11,13-18,21,25,34,38H,5-7,12,19-20H2,1-4H3	C35H38N2O6	582.686	8	1	97.66	5	11	2	-2.1609	7.07197	4.43	7.078	86.1666	169.6518	4.4899	559.894544611435
Cond-001411	NPD1526	NPD1526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9765166341	COc1ccccc1n1c(=O)[nH]c(O)c(C2NCCc3ccccc23)c1=O	InChI=1S/C20H19N3O4/c1-27-15-9-5-4-8-14(15)23-19(25)16(18(24)22-20(23)26)17-13-7-3-2-6-12(13)10-11-21-17/h2-9,17,21,24H,10-11H2,1H3,(H,22,26)	C20H19N3O4	365.383	7	3	90.9	4	3	0	-0.8414	2.11817	2.89	3.556	47.4789	101.7862	2.6394	327.67337553448
Cond-001412	NPD1527	NPD1527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6541457847	CCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc12	InChI=1S/C21H20O7/c1-5-12-10-19(22)28-16-11-14(6-7-15(12)16)27-21(23)13-8-17(24-2)20(26-4)18(9-13)25-3/h6-11H,5H2,1-4H3	C21H20O7	384.379	7	0	80.29	3	7	0	0.1348	4.19597	3	3.579	53.9047	105.6435	2.7656	350.70621833833
Cond-001413	NPD1528	NPD1528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.449263137	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(=O)c3cccc(OC)c3)ccc12	InChI=1S/C25H20O6/c1-15-22(30-25(27)17-5-4-6-19(13-17)29-3)12-11-20-21(14-23(26)31-24(15)20)16-7-9-18(28-2)10-8-16/h4-14H,1-3H3	C25H20O6	416.423	6	0	71.06	4	6	1	0.521699999999999	5.40919	3.55	5.784	41.7405	120.3115	3.0329	379.934095338035
Cond-001414	NPD1529	NPD1529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.301813375	CCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C29H33N3O5S/c1-2-3-4-16-37-25-12-8-22(9-13-25)29(34)30-24-10-14-26(15-11-24)38(35,36)31-18-21-17-23(20-31)27-6-5-7-28(33)32(27)19-21/h5-15,21,23H,2-4,16-20H2,1H3,(H,30,34)/t21-,23+/m0/s1	C29H33N3O5S	535.654	8	1	104.4	5	10	0	-3.2942	5.03076000000001	3.66	4.268	91.4868	143.5482	3.9781	495.643570523842
Cond-001415	NPD153	NPD153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.612976449	CC(=O)OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](COC(=O)C)[C@@H](O[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)C(=O)c3c(cccc3)C2=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C62H74O38/c1-23(63)79-19-39-45(83-27(5)67)51(85-29(7)69)55(89-33(11)73)59(93-39)97-47-41(21-81-25(3)65)95-61(57(91-35(13)75)53(47)87-31(9)71)99-49-43(77)37-17-15-16-18-38(37)44(78)50(49)100-62-58(92-36(14)76)54(88-32(10)72)48(42(96-62)22-82-26(4)66)98-60-56(90-34(12)74)52(86-30(8)70)46(84-28(6)68)40(94-60)20-80-24(2)64/h15-18,39-42,45-48,51-62H,19-22H2,1-14H3/t39-,40-,41-,42-,45-,46-,47-,48-,51+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61+,62+/m1/s1	C62H74O38	1427.23	38	0	476.18	6	40	2	-3.5542	-0.290119999999989	4.1	2.182	282.5694	313.733999999999	9.56340000000003	1277.16819390506
Cond-001416	NPD1530	NPD1530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9124497194	[I-].CCOc1c(OCC)cc(CC2N(CCc3cc(OCC)c(OCC)cc23)C(=O)C[N+]2(C)CCCCC2)cc1	InChI=1S/C32H47N2O5.HI/c1-6-36-28-14-13-24(20-29(28)37-7-2)19-27-26-22-31(39-9-4)30(38-8-3)21-25(26)15-16-33(27)32(35)23-34(5)17-11-10-12-18-34;/h13-14,20-22,27H,6-12,15-19,23H2,1-5H3;1H/q+1;/p-1	C32H47IN2O5	666.63	7	0	57.23	4	13	1	-1.9454	5.47319000000001	4.21	4.748	99.7251	156.5234	4.3966	539.609804289275
Cond-001417	NPD1531	NPD1531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0779536545	CCCc1cc(=O)oc2c(C)c3c(cc12)c(co3)c1cc2ccccc2cc1	InChI=1S/C25H20O3/c1-3-6-18-12-23(26)28-25-15(2)24-21(13-20(18)25)22(14-27-24)19-10-9-16-7-4-5-8-17(16)11-19/h4-5,7-14H,3,6H2,1-2H3	C25H20O3	368.424	3	0	39.44	5	3	1	0.387999999999999	6.98389000000001	3.88	8.236	36.112	116.442	2.7912	332.943415236352
Cond-001418	NPD1532	NPD1532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.4678142805	COc1c2C(C#CCOc3ccc(cc3)c3ccccc3)N(C)CCc2cc2c1OCO2	InChI=1S/C27H25NO4/c1-28-15-14-21-17-24-26(32-18-31-24)27(29-2)25(21)23(28)9-6-16-30-22-12-10-20(11-13-22)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,23H,14-16,18H2,1-2H3	C27H25NO4	427.492	5	0	40.16	5	4	1	0.4257	6.04627000000001	3.88	6.784	50.8392	129.251	3.2315	398.222371396813
Cond-001419	NPD1533	NPD1533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.7010478224	CCCc1c(OCc2ccc(OC)cc2)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C29H28O6/c1-3-5-21-14-23-27(16-26(21)34-17-19-6-9-22(31-2)10-7-19)35-18-24(29(23)30)20-8-11-25-28(15-20)33-13-4-12-32-25/h6-11,14-16,18H,3-5,12-13,17H2,1-2H3	C29H28O6	472.529	6	0	63.22	5	7	1	-1.6083	6.95275000000001	3.99	6.298	58.2023	140.134	3.5309	439.398033841502
Cond-001420	NPD1534	NPD1534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7998610146	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(C1CCCCC1)C2=O)c1ccc(cc1)C(=O)OC	InChI=1S/C28H29N3O4/c1-35-28(34)18-13-11-17(12-14-18)26-25-21(20-9-5-6-10-22(20)29-25)15-23-27(33)30(16-24(32)31(23)26)19-7-3-2-4-8-19/h5-6,9-14,19,23,26,29H,2-4,7-8,15-16H2,1H3/t23-,26?/m1/s1	C28H29N3O4	471.548	7	1	82.71	6	4	0	-3.5161	3.50598	3.77	4.58	64.2754	133.637	3.5064	427.791876439014
Cond-001421	NPD1535	NPD1535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3074051027	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3cccc(c3)N(=O)=O)cc2o1)c1ccc(OC)cc1	InChI=1S/C26H19NO9/c1-3-34-26(30)24-22(15-7-9-18(33-2)10-8-15)23(28)20-12-11-19(14-21(20)36-24)35-25(29)16-5-4-6-17(13-16)27(31)32/h4-14H,3H2,1-2H3	C26H19NO9	489.43	10	0	131.27	4	9	1	0.1863	5.01836	3.22	6.106	49.171	133.9575	3.3637	429.324602872152
Cond-001422	NPD1537	NPD1537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4383561644	COc1ccc(cc1)C(=O)[C@H]1[C@H](c2c(OC)cc(OC)cc2)C2(C3C=Cc4c(cccc4)N13)C(=O)c1ccccc1C2=O	InChI=1S/C36H29NO6/c1-41-23-15-12-22(13-16-23)33(38)32-31(27-18-17-24(42-2)20-29(27)43-3)36(34(39)25-9-5-6-10-26(25)35(36)40)30-19-14-21-8-4-7-11-28(21)37(30)32/h4-20,30-32H,1-3H3/t30?,31-,32+/m0/s1	C36H29NO6	571.619	7	0	82.14	7	6	1	-1.174	6.34147000000001	4.65	7.153	64.3229	165.062	4.18480000000001	522.671475525136
Cond-001423	NPD1538	NPD1538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6243735424	COc1ccc(cc1)C(=O)Oc1c(Cl)cc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C23H15ClO5/c1-27-16-9-7-15(8-10-16)23(26)29-21-13-20-18(11-19(21)24)17(12-22(25)28-20)14-5-3-2-4-6-14/h2-13H,1H3	C23H15ClO5	406.815	5	0	61.83	4	5	1	0.6758	5.47047	3.33	7.267	34.5382	112.8025	2.8148	351.762967156174
Cond-001424	NPD1539	NPD1539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.393582998	CCCCc1cc(=O)oc2cc(OC(=O)c3cccc(OC)c3)ccc12	InChI=1S/C21H20O5/c1-3-4-6-14-12-20(22)26-19-13-17(9-10-18(14)19)25-21(23)15-7-5-8-16(11-15)24-2/h5,7-13H,3-4,6H2,1-2H3	C21H20O5	352.38	5	0	61.83	3	7	1	-0.530800000000001	4.95897	3.22	5.605	45.5099	101.7735	2.6482	333.125764937207
Cond-001425	NPD154	NPD154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7825624668	CC1(C)CC(CCO1)C(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C22H26O5/c1-22(2)12-14(9-10-26-22)19(23)13-25-15-7-8-17-16-5-3-4-6-18(16)21(24)27-20(17)11-15/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3	C22H26O5	370.439	5	0	61.83	4	4	0	-1.0041	4.63827000000001	3.33	3.422	72.7491	104.964	2.8095	356.874666964674
Cond-001426	NPD1540	NPD1540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1626863862	COc1ccc(cc1OC)c1c/c(=N\c2cc(C)ccc2)/c2ccccc2o1	InChI=1S/C24H21NO3/c1-16-7-6-8-18(13-16)25-20-15-23(28-21-10-5-4-9-19(20)21)17-11-12-22(26-2)24(14-17)27-3/h4-15H,1-3H3/b25-20+	C24H21NO3	371.428	4	0	40.05	4	4	1	0.192999999999999	5.50189	3.66	7.022	37.9271	112.686	2.8587	349.900649519452
Cond-001427	NPD1541	NPD1541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2726099474	ClC(Cl)(Cl)C(NC(=O)Cc1cccc2ccccc12)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C25H24Cl3N3O2/c26-25(27,28)24(29-22(32)12-18-7-3-6-17-5-1-2-8-20(17)18)30-13-16-11-19(15-30)21-9-4-10-23(33)31(21)14-16/h1-10,16,19,24H,11-15H2,(H,29,32)/t16-,19-,24?/m0/s1	C25H24Cl3N3O2	504.836	5	1	52.65	5	6	1	0.4659	4.51507	3.33	6.534	90.9441	134.6817	3.4851	429.849589873191
Cond-001428	NPD1542	NPD1542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4048709911	[C@@H]12CC(=O)/C(=C(/C)\Nc3ccc(Cc4ccc(N/C(=C/5\C(=O)C[C@@H]6[C@H]5C6(C)C)/C)cc4)cc3)/[C@@H]1C2(C)C	InChI=1S/C33H38N2O2/c1-18(28-26(36)16-24-30(28)32(24,3)4)34-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)35-19(2)29-27(37)17-25-31(29)33(25,5)6/h7-14,24-25,30-31,34-35H,15-17H2,1-6H3/b28-18+,29-19+/t24-,25-,30-,31-/m1/s1	C33H38N2O2	494.667	4	2	58.2	6	6	1	1.444	7.63796000000001	4.65	8.085	101.1526	151.0304	3.9937	496.594585959059
Cond-001429	NPD1543	NPD1543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2305280926	CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc(C)cc1	InChI=1S/C18H25NO6/c1-10-5-7-12(8-6-10)23-17-14(19-11(2)20)15(21)16-13(24-17)9-22-18(3,4)25-16/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14-,15-,16-,17-/m1/s1	C18H25NO6	351.394	7	2	86.25	3	4	0	-0.994800000000001	1.5701	2.67	2.452	62.9883	93.1905	2.599	325.107091472335
Cond-001430	NPD1544	NPD1544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.23675597	CCOc1c(OCC)cc(cc1)c1c2n(CCc3cc(OCC)c(OCC)cc23)c2c1cc(OC(=O)C)c1ccccc21	InChI=1S/C36H37NO6/c1-6-39-29-15-14-24(19-31(29)40-7-2)34-28-21-30(43-22(5)38)25-12-10-11-13-26(25)35(28)37-17-16-23-18-32(41-8-3)33(42-9-4)20-27(23)36(34)37/h10-15,18-21H,6-9,16-17H2,1-5H3	C36H37NO6	579.682	7	0	68.15	6	11	2	0.993600000000002	9.44136999999999	4.65	7.775	70.2165	178.118	4.4224	532.037310328335
Cond-001431	NPD1545	NPD1545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4207861104	COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C)N(C)CC2	InChI=1S/C27H30N4O5S/c1-15(2)16-5-7-18(8-6-16)31-26(33)19(25(32)29-27(31)37)12-28-13-20-22-17(9-10-30(20)3)11-21-23(24(22)34-4)36-14-35-21/h5-8,11-12,15,20,28H,9-10,13-14H2,1-4H3,(H,29,32,37)/b19-12-	C27H30N4O5S	522.616	9	2	124.46	5	6	0	-0.0824999999999986	4.40006000000001	3.33	4.501	94.3812	150.0424	3.7961	472.048361480275
Cond-001432	NPD1546	NPD1546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1335905474	CCOc1ccc(cc1OCC)C1N(C(=O)Cc2cc(OCC)c(OCC)cc12)c1ccc(cc1)C(=O)O	InChI=1S/C30H33NO7/c1-5-35-24-14-11-20(15-25(24)36-6-2)29-23-18-27(38-8-4)26(37-7-3)16-21(23)17-28(32)31(29)22-12-9-19(10-13-22)30(33)34/h9-16,18,29H,5-8,17H2,1-4H3,(H,33,34)	C30H33NO7	519.586	8	1	94.53	4	11	2	-0.0957999999999983	5.26889000000001	3.88	5.233	69.0463	145.3108	3.9389	488.837464076897
Cond-001433	NPD1548	NPD1548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1162565159	COc1c(OC)cc2C(NCCc2c1)c1c(O)[nH]c(=O)n(c1=O)c1c(C)cccc1	InChI=1S/C22H23N3O5/c1-12-6-4-5-7-15(12)25-21(27)18(20(26)24-22(25)28)19-14-11-17(30-3)16(29-2)10-13(14)8-9-23-19/h4-7,10-11,19,23,26H,8-9H2,1-3H3,(H,24,28)	C22H23N3O5	409.435	8	3	100.13	4	4	0	-0.251200000000002	2.2095	3	2.802	60.2968	112.2442	2.9799	371.055571486774
Cond-001434	NPD1549	NPD1549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5909980431	COc1ccc(cc1)C(=O)[C@H]1[C@H](c2c(OC)c(OC)ccc2)C2(C3C=Cc4c(cccc4)N13)C(=O)c1ccccc1C2=O	InChI=1S/C36H29NO6/c1-41-23-18-15-22(16-19-23)32(38)31-30(26-12-8-14-28(42-2)33(26)43-3)36(34(39)24-10-5-6-11-25(24)35(36)40)29-20-17-21-9-4-7-13-27(21)37(29)31/h4-20,29-31H,1-3H3/t29?,30-,31+/m0/s1	C36H29NO6	571.619	7	0	82.14	7	6	1	-1.174	6.34147000000001	4.65	7.153	64.3229	165.062	4.18480000000001	522.671475525136
Cond-001435	NPD1550	NPD1550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4508440914	CCCCc1cc(=O)oc2cc(C)c3c(coc3c12)c1ccc2ccccc2c1	InChI=1S/C26H22O3/c1-3-4-7-20-14-23(27)29-22-12-16(2)24-21(15-28-26(24)25(20)22)19-11-10-17-8-5-6-9-18(17)13-19/h5-6,8-15H,3-4,7H2,1-2H3	C26H22O3	382.451	3	0	39.44	5	4	1	0.1	7.37399000000001	3.99	9.016	39.0236	121.059	2.9321	350.239399862219
Cond-001436	NPD1551	NPD1551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.3660162761	COc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C	InChI=1S/C22H22O6/c1-13-16-8-10-18(27-12-15-6-4-5-7-19(15)26-3)14(2)21(16)28-22(25)17(13)9-11-20(23)24/h4-8,10H,9,11-12H2,1-3H3,(H,23,24)	C22H22O6	382.406	6	1	82.06	3	7	0	0.932599999999999	5.3657	3.22	3.818	55.4553	111.7088	2.8478	359.211976263635
Cond-001437	NPD1552	NPD1552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.993453752	CCN1C(=S)NC(=O)/C(=C\NCC2N(C)CCc3cc4c(OCO4)c(OC)c23)/C1=O	InChI=1S/C20H24N4O5S/c1-4-24-19(26)12(18(25)22-20(24)30)8-21-9-13-15-11(5-6-23(13)2)7-14-16(17(15)27-3)29-10-28-14/h7-8,13,21H,4-6,9-10H2,1-3H3,(H,22,25,30)/b12-8+	C20H24N4O5S	432.493	9	2	124.46	4	5	0	-0.302700000000001	1.56487	2.56	0.981	90.1039	118.9884	3.0474	382.142303902408
Cond-001438	NPD1553	NPD1553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.5527269143	CC(C)C1CC(CCN(Cc2ccccc2)C(=O)C)(CCO1)c1ccc(C)cc1	InChI=1S/C26H35NO2/c1-20(2)25-18-26(15-17-29-25,24-12-10-21(3)11-13-24)14-16-27(22(4)28)19-23-8-6-5-7-9-23/h5-13,20,25H,14-19H2,1-4H3	C26H35NO2	393.562	3	0	29.54	3	8	1	0.624100000000002	5.12061000000001	3.99	8.617	68.1789	120.209	3.3624	409.504685574625
Cond-001439	NPD1554	NPD1554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.141879278	CCCc1c(OC(=O)c2cccc(OC)c2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C28H24O7/c1-3-5-18-13-21-25(15-24(18)35-28(30)19-6-4-7-20(12-19)31-2)34-16-22(27(21)29)17-8-9-23-26(14-17)33-11-10-32-23/h4,6-9,12-16H,3,5,10-11H2,1-2H3	C28H24O7	472.486	7	0	80.29	5	7	1	-1.2689	6.54235	3.77	5.999	55.2511	136.8995	3.4057	428.255817215397
Cond-001440	NPD1555	NPD1555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7897824311	CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O	InChI=1S/C21H19FO4/c1-4-16-12(2)17-9-10-19(13(3)20(17)26-21(16)24)25-11-18(23)14-5-7-15(22)8-6-14/h5-10H,4,11H2,1-3H3	C21H19FO4	354.372	4	0	52.6	3	5	0	1.4364	5.32539	3.22	4.589	47.9244	101.3965	2.6072	330.403097086952
Cond-001441	NPD1556	NPD1556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3342430407	Cc1c2c(coc2c2c(oc(=O)c(Cc3ccccc3)c2C)c1)c1ccc2ccccc2c1	InChI=1S/C30H22O3/c1-18-14-26-28(19(2)24(30(31)33-26)15-20-8-4-3-5-9-20)29-27(18)25(17-32-29)23-13-12-21-10-6-7-11-22(21)16-23/h3-14,16-17H,15H2,1-2H3	C30H22O3	430.494	3	0	39.44	6	3	1	1.5716	7.81659000000001	4.43	10.966	31.3944	136.297	3.25810000000001	388.257503562486
Cond-001442	NPD1557	NPD1557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8866650591	CC(=O)N[C@H]1[C@H](Oc2c(C)ccc(C)c2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C22H29NO9/c1-11-7-8-12(2)17(9-11)31-22-19(23-13(3)24)21(30-16(6)27)20(29-15(5)26)18(32-22)10-28-14(4)25/h7-9,18-22H,10H2,1-6H3,(H,23,24)/t18-,19-,20-,21-,22-/m1/s1	C22H29NO9	451.467	10	1	126.46	2	11	1	0.0494999999999994	1.56693	2.78	2.513	83.7379	113.9267	3.3183	425.108792675886
Cond-001443	NPD1559	NPD1559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.1819614499	CC1(C)CC2=C(CCCC2(C)C)CC1N(C(=O)/C=C/C(=O)O)c1ccccc1	InChI=1S/C24H31NO3/c1-23(2)14-8-9-17-15-20(24(3,4)16-19(17)23)25(18-10-6-5-7-11-18)21(26)12-13-22(27)28/h5-7,10-13,20H,8-9,14-16H2,1-4H3,(H,27,28)/b13-12+	C24H31NO3	381.508	4	1	57.61	3	5	1	1.5898	5.96906000000001	3.66	5.691	85.4637	115.2918	3.1393	394.602943023452
Cond-001444	NPD156	NPD156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6215618456	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1)[n+](CC(=O)c1ccccc1)cc2	InChI=1S/C28H28NO5/c1-31-25-11-10-19(15-26(25)32-2)14-23-22-17-28(34-4)27(33-3)16-21(22)12-13-29(23)18-24(30)20-8-6-5-7-9-20/h5-13,15-17H,14,18H2,1-4H3/q+1	C28H28NO5+	458.526	6	0	57.87	4	9	1	-1.7955	5.67119	3.88	5.883	43.9258	135.881	3.5182	424.446812073641
Cond-001445	NPD1561	NPD1561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2466484071	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CCSC)NC(=O)OCc1ccccc1	InChI=1S/C25H29N3O5S/c1-32-24(30)22(14-18-15-26-20-11-7-6-10-19(18)20)27-23(29)21(12-13-34-2)28-25(31)33-16-17-8-4-3-5-9-17/h3-11,15,21-22,26H,12-14,16H2,1-2H3,(H,27,29)(H,28,31)	C25H29N3O5S	483.58	8	3	134.82	3	15	2	-0.951699999999999	2.59808	3.22	5.551	68.8599	136.0704	3.6317	440.272549421975
Cond-001446	NPD1562	NPD1562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4990215264	COc1c2C(C#CCOc3ccc(cc3)c3nnc(Cl)c4ccccc34)N(C)CCc2cc2c1OCO2	InChI=1S/C29H24ClN3O4/c1-33-14-13-19-16-24-27(37-17-36-24)28(34-2)25(19)23(33)8-5-15-35-20-11-9-18(10-12-20)26-21-6-3-4-7-22(21)29(30)32-31-26/h3-4,6-7,9-12,16,23H,13-15,17H2,1-2H3	C29H24ClN3O4	513.972	7	0	65.94	6	4	1	0.9594	6.64287000000001	3.77	5.765	56.9414	147.357	3.6407	441.489552732914
Cond-001447	NPD1563	NPD1563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4201913214	CCCCN1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2OCOc2c3)/C1=O	InChI=1S/C22H28N4O6/c1-4-5-7-26-21(28)14(20(27)24-22(26)29)10-23-11-15-17-13(6-8-25(15)2)9-16-18(19(17)30-3)32-12-31-16/h9-10,15,23H,4-8,11-12H2,1-3H3,(H,24,27,29)/b14-10-	C22H28N4O6	444.481	10	2	109.44	4	7	0	-2.0676	2.18017	2.78	1.657	88.5566	121.0204	3.2244	407.015475797102
Cond-001448	NPD1564	NPD1564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.5824481287	[C@H]12Cc3c([nH]c4ccccc34)C(CCc3ccccc3)N1C(=O)CN(CCC)C2=O	InChI=1S/C25H27N3O2/c1-2-14-27-16-23(29)28-21(13-12-17-8-4-3-5-9-17)24-19(15-22(28)25(27)30)18-10-6-7-11-20(18)26-24/h3-11,21-22,26H,2,12-16H2,1H3/t21?,22-/m1/s1	C25H27N3O2	401.501	5	1	56.41	5	5	1	-2.4876	3.66338000000001	3.66	5.957	55.6306	120.95	3.1179	373.316386561891
Cond-001449	NPD1565	NPD1565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.371909001	COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O	InChI=1S/C21H17ClO6/c1-12-16-8-7-15(27-11-18(23)13-3-5-14(22)6-4-13)9-19(16)28-21(25)17(12)10-20(24)26-2/h3-9H,10-11H2,1-2H3	C21H17ClO6	400.809	6	0	78.9	3	7	0	0.7981	4.40927	3	3.672	53.3525	106.8235	2.7863	354.490600707402
Cond-001450	NPD1566	NPD1566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7216543094	CCOc1c(OCC)cc(CC2N(CCc3cc(OCC)c(OCC)cc23)C(=O)c2c(C)cccc2)cc1	InChI=1S/C32H39NO5/c1-6-35-28-15-14-23(19-29(28)36-7-2)18-27-26-21-31(38-9-4)30(37-8-3)20-24(26)16-17-33(27)32(34)25-13-11-10-12-22(25)5/h10-15,19-21,27H,6-9,16-18H2,1-5H3	C32H39NO5	517.656	6	0	57.23	4	12	2	1.0808	5.97372000000001	4.32	7.619	76.8093	151.337	4.1463	508.485438628309
Cond-001451	NPD1567	NPD1567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.301369863	CCOc1cc2c(cc1)n1CCc3cc(OCC)c(OCC)cc3c1c2c1cc(OCC)c(OCC)cc1	InChI=1S/C32H37NO5/c1-6-34-23-12-13-26-25(19-23)31(22-11-14-27(35-7-2)28(18-22)36-8-3)32-24-20-30(38-10-5)29(37-9-4)17-21(24)15-16-33(26)32/h11-14,17-20H,6-10,15-16H2,1-5H3	C32H37NO5	515.64	6	0	51.08	5	11	2	1.2734	8.12249	4.32	6.523	70.11	156.188	4.0377	485.228979927509
Cond-001452	NPD1568	NPD1568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.497843606	CC1(C)CC2(CCO1)OC(=O)CC2C(=O)Nc1ccc(Br)cc1	InChI=1S/C17H20BrNO4/c1-16(2)10-17(7-8-22-16)13(9-14(20)23-17)15(21)19-12-5-3-11(18)4-6-12/h3-6,13H,7-10H2,1-2H3,(H,19,21)	C17H20BrNO4	382.249	5	1	64.63	3	3	0	-0.00590000000000046	4.11248	2.67	3.051	60.6824	92.4527	2.4727	306.877813722112
Cond-001453	NPD157	NPD157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3620814611	CCCCNC(=O)N1C[C@@]2(C)CN(C[C@@](C)(C1)C2=O)C(=O)NCCCC	InChI=1S/C19H34N4O3/c1-5-7-9-20-16(25)22-11-18(3)13-23(17(26)21-10-8-6-2)14-19(4,12-22)15(18)24/h5-14H2,1-4H3,(H,20,25)(H,21,26)/t18-,19+	C19H34N4O3	366.498	7	2	81.75	2	10	0	-1.9546	1.81669	2.78	0.831	93.1934	103.8344	3.0148	374.915594022619
Cond-001454	NPD1570	NPD1570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	108.377843719	Cc1c(CC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)	C20H13FO5	352.313	5	1	76.74	4	3	0	0.7481	5.00647	3	3.501	33.9323	97.2158	2.3734	296.004421760047
Cond-001455	NPD1571	NPD1571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1175605452	COc1ccccc1COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C	InChI=1S/C21H20O6/c1-12-15-8-9-17(26-11-14-6-4-5-7-18(14)25-3)13(2)20(15)27-21(24)16(12)10-19(22)23/h4-9H,10-11H2,1-3H3,(H,22,23)	C21H20O6	368.38	6	1	82.06	3	6	0	0.8702	4.9756	3.11	3.649	50.5899	107.0918	2.7069	341.915991637768
Cond-001456	NPD1572	NPD1572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3671960238	CC(=O)N1CCc2ccccc2C1c1c(O)[nH]c(=S)n(Cc2ccccc2)c1=O	InChI=1S/C22H21N3O3S/c1-14(26)24-12-11-16-9-5-6-10-17(16)19(24)18-20(27)23-22(29)25(21(18)28)13-15-7-3-2-4-8-15/h2-10,19,27H,11-13H2,1H3,(H,23,29)	C22H21N3O3S	407.485	6	2	104.97	4	4	1	-0.0834000000000013	2.29828	3.11	5.496	62.4321	114.0935	2.983	369.347683442452
Cond-001457	NPD1573	NPD1573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7973087647	COc1ccc(cc1OC)C(=O)NC(=S)N1CCCCC1c1cccnc1	InChI=1S/C20H23N3O3S/c1-25-17-9-8-14(12-18(17)26-2)19(24)22-20(27)23-11-4-3-7-16(23)15-6-5-10-21-13-15/h5-6,8-10,12-13,16H,3-4,7,11H2,1-2H3,(H,22,24,27)	C20H23N3O3S	385.48	6	1	95.78	3	7	0	-0.858499999999999	2.96799	2.89	3.421	54.3515	109.3887	2.8958	352.385090293119
Cond-001458	NPD1574	NPD1574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6356402218	COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(F)cc1)N(C)CC2	InChI=1S/C24H23FN4O5S/c1-28-8-7-13-9-18-20(34-12-33-18)21(32-2)19(13)17(28)11-26-10-16-22(30)27-24(35)29(23(16)31)15-5-3-14(25)4-6-15/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,35)/b16-10-	C24H23FN4O5S	498.527	9	2	124.46	5	5	0	-0.1757	3.41576	2.89	2.849	80.9859	135.9114	3.3911	426.227966452981
Cond-001459	NPD1575	NPD1575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1329324494	CC(C)Oc1ccc(CNCCC(C(C)C)c2ccc(OC(C)C)cc2)cc1	InChI=1S/C25H37NO2/c1-18(2)25(22-9-13-24(14-10-22)28-20(5)6)15-16-26-17-21-7-11-23(12-8-21)27-19(3)4/h7-14,18-20,25-26H,15-17H2,1-6H3	C25H37NO2	383.567	3	1	30.49	2	11	2	-0.350400000000001	6.34179000000001	3.88	7.764	67.1055	119.6197	3.3731	407.201618350358
Cond-001460	NPD1576	NPD1576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3074894645	COc1ccc(cc1)C(CCNC(=O)CC(c1ccc(C)cc1)c1ccc(OC(C)C)cc1)C(C)C	InChI=1S/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)	C32H41NO3	487.673	4	1	47.56	3	13	2	0.0195999999999984	7.19571	4.54	10.904	70.8672	149.2637	4.1375	503.261443927987
Cond-001461	NPD1577	NPD1577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5770852975	COc1ccc(cc1)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C24H18O5/c1-15-21(28-24(26)17-8-10-18(27-2)11-9-17)13-12-19-20(14-22(25)29-23(15)19)16-6-4-3-5-7-16/h3-14H,1-2H3	C24H18O5	386.397	5	0	61.83	4	5	1	0.5735	5.40059	3.55	7.283	34.4247	113.7595	2.8333	353.847884011607
Cond-001462	NPD1578	NPD1578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.8867585085	CC(=O)N(CCC(Cc1ccccc1)c1ccc2OCOc2c1)Cc1cc2c(OCO2)cc1	InChI=1S/C27H27NO5/c1-19(29)28(16-21-7-9-24-26(14-21)32-17-30-24)12-11-23(13-20-5-3-2-4-6-20)22-8-10-25-27(15-22)33-18-31-25/h2-10,14-15,23H,11-13,16-18H2,1H3	C27H27NO5	445.507	6	0	57.23	5	9	1	-1.48	5.80507000000001	3.77	7.18	47.7035	130.334	3.3332	409.649056798175
Cond-001463	NPD1579	NPD1579	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7735483089	COc1cc(cc(OC)c1OC)C1CC(=O)c2c(C1)nc(NC(=O)C)nc2	InChI=1S/C19H21N3O5/c1-10(23)21-19-20-9-13-14(22-19)5-11(6-15(13)24)12-7-16(25-2)18(27-4)17(8-12)26-3/h7-9,11H,5-6H2,1-4H3,(H,20,21,22,23)	C19H21N3O5	371.387	8	1	99.64	3	6	0	-1.253	3.20748	2.67	0.939	52.3767	101.3122	2.7088	334.160535010774
Cond-001464	NPD158	NPD158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5035478589	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccc(Br)cc1)C2=O	InChI=1S/C18H23BrN2O/c1-3-17-9-20-11-18(4-2,16(17)22)12-21(10-17)15(20)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3/t15?,17-,18+	C18H23BrN2O	363.292	3	0	23.55	1	3	0	0.704199999999999	3.34719	3	3.084	67.7094	92.949	2.4717	299.079878454463
Cond-001465	NPD1580	NPD1580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8397757158	Cc1c2c(coc2c2c(oc(=O)c(C)c2C)c1)c1ccc(cc1)c1ccccc1	InChI=1S/C26H20O3/c1-15-13-22-24(16(2)17(3)26(27)29-22)25-23(15)21(14-28-25)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3	C26H20O3	380.435	3	0	39.44	5	2	1	1.7574	7.15599	3.99	8.949	32.2955	120.639	2.8891	347.602941161419
Cond-001466	NPD1581	NPD1581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.563219784	COc1cc(cc(OC)c1OC)C(=O)NC(=S)NN1CCCCC1c1cnccc1	InChI=1S/C21H26N4O4S/c1-27-17-11-15(12-18(28-2)19(17)29-3)20(26)23-21(30)24-25-10-5-4-8-16(25)14-7-6-9-22-13-14/h6-7,9,11-13,16H,4-5,8,10H2,1-3H3,(H2,23,24,26,30)	C21H26N4O4S	430.521	8	2	117.04	3	9	0	-0.8971	2.48119	2.78	2.61	64.5653	119.0764	3.1952	389.468061827713
Cond-001467	NPD1582	NPD1582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.231013601	CSCC[C@H](NC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C20H23NO6S/c1-11-16(26-10-17(22)21-15(19(23)24)8-9-28-2)7-6-13-12-4-3-5-14(12)20(25)27-18(11)13/h6-7,15H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)/t15-/m0/s1	C20H23NO6S	405.465	7	2	127.23	3	9	0	-0.506799999999997	3.37989	2.78	2.476	77.5933	111.1175	2.9153	370.298708679268
Cond-001468	NPD1583	NPD1583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3334940921	CC(=O)OC[C@H]1O[C@@H](Oc2c(Cl)cc(Cl)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C20H22Cl2O10/c1-9(23)27-8-16-17(28-10(2)24)18(29-11(3)25)19(30-12(4)26)20(32-16)31-15-6-5-13(21)7-14(15)22/h5-7,16-20H,8H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1	C20H22Cl2O10	493.289	10	0	123.66	2	11	1	0.797799999999999	3.18998	2.34	2.59	82.8151	114.35	3.2402	418.732425457413
Cond-001469	NPD1584	NPD1584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.9074029419	COc1cc(/C=C/C(=O)Oc2cc3c4N(C(=O)C(=O)c4c2)C(C)(C)C=C3C)cc(OC)c1OC	InChI=1S/C26H25NO7/c1-14-13-26(2,3)27-22-17(14)11-16(12-18(22)23(29)25(27)30)34-21(28)8-7-15-9-19(31-4)24(33-6)20(10-15)32-5/h7-13H,1-6H3/b8-7+	C26H25NO7	463.479	8	0	91.37	4	7	0	0.724299999999998	4.95235000000001	3.44	3.261	79.6387	130.3595	3.3753	430.55352557343
Cond-001470	NPD1585	NPD1585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.1361672543	CCOC(=O)c1c(c(=O)c2ccc(OCc3cccc(OC)c3)cc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C28H26O8/c1-5-34-28(30)27-25(18-9-12-22(32-3)24(14-18)33-4)26(29)21-11-10-20(15-23(21)36-27)35-16-17-7-6-8-19(13-17)31-2/h6-15H,5,16H2,1-4H3	C28H26O8	490.501	8	0	89.52	4	10	1	-0.6288	5.05337	3.66	5.272	59.9522	135.3115	3.573	449.402502616758
Cond-001471	NPD1586	NPD1586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4039277488	COc1ccccc1n1c(=S)[nH]c(O)c(C2NCCc3cc(OC)c(OC)cc23)c1=O	InChI=1S/C22H23N3O5S/c1-28-15-7-5-4-6-14(15)25-21(27)18(20(26)24-22(25)31)19-13-11-17(30-3)16(29-2)10-12(13)8-9-23-19/h4-7,10-11,19,23,26H,8-9H2,1-3H3,(H,24,31)	C22H23N3O5S	441.5	8	3	124.38	4	5	0	-0.0458999999999999	2.93617	2.89	2.927	70.1014	122.4812	3.1434	389.564595544374
Cond-001472	NPD1587	NPD1587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9713752334	COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccc(OC)c4)ccc3c2=O)cc1	InChI=1S/C25H18O8/c1-29-18-5-3-4-16(12-18)25(28)33-19-10-11-20-21(13-19)31-14-22(23(20)26)32-17-8-6-15(7-9-17)24(27)30-2/h3-14H,1-2H3	C25H18O8	446.406	8	0	97.36	4	8	1	-1.2037	5.59345	3.33	5.683	43.0681	124.78	3.10730000000001	394.878090038357
Cond-001473	NPD1589	NPD1589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3838634446	CCc1cc(=O)oc2cc(C)c3c(coc3c12)c1ccc2ccccc2c1	InChI=1S/C24H18O3/c1-3-15-12-21(25)27-20-10-14(2)22-19(13-26-24(22)23(15)20)18-9-8-16-6-4-5-7-17(16)11-18/h4-13H,3H2,1-2H3	C24H18O3	354.398	3	0	39.44	5	2	1	0.8692	6.59379	3.77	7.878	32.7868	111.825	2.6503	315.647430610485
Cond-001474	NPD159	NPD159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6509517383	CC(C)CC(N1C(=O)c2c(cccc2)C1=O)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C25H27N3O4/c1-15(2)10-21(28-23(30)18-6-3-4-7-19(18)24(28)31)25(32)26-12-16-11-17(14-26)20-8-5-9-22(29)27(20)13-16/h3-9,15-17,21H,10-14H2,1-2H3/t16-,17-,21?/m0/s1	C25H27N3O4	433.5	7	0	78	5	5	0	-1.4894	2.54417	3.44	2.774	93.8058	120.001	3.2353	412.696839963014
Cond-001475	NPD1590	NPD1590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6872348163	CC(=O)c1cc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)ccc1	InChI=1S/C22H21NO5/c1-12-13(2)22(26)28-21-14(3)19(9-8-18(12)21)27-11-20(25)23-17-7-5-6-16(10-17)15(4)24/h5-10H,11H2,1-4H3,(H,23,25)	C22H21NO5	379.406	6	1	81.7	3	6	0	0.6669	5.35468	3.22	3.412	55.0694	111.3682	2.8459	358.782051070441
Cond-001476	NPD1592	NPD1592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9892960066	[C@H]12Cc3c(CN1C(=O)N(C2=O)c1c(OC)ccc(OC)c1)[nH]c1c3cccc1	InChI=1S/C21H19N3O4/c1-27-12-7-8-19(28-2)17(9-12)24-20(25)18-10-14-13-5-3-4-6-15(13)22-16(14)11-23(18)21(24)26/h3-9,18,22H,10-11H2,1-2H3/t18-/m1/s1	C21H19N3O4	377.393	7	1	74.87	5	3	0	-1.3583	2.78747	3	2.664	45.7161	107.757	2.6717	321.712901459546
Cond-001477	NPD1593	NPD1593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.72470962	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCc1ccc(OC)cc1)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C32H33N3O3/c1-20(2)22-10-12-23(13-11-22)31-30-26(25-6-4-5-7-27(25)33-30)18-28-32(37)34(19-29(36)35(28)31)17-16-21-8-14-24(38-3)15-9-21/h4-15,20,28,31,33H,16-19H2,1-3H3/t28-,31?/m1/s1	C32H33N3O3	507.623	6	1	65.64	6	6	1	-1.2486	5.02688000000001	4.32	7.416	65.0787	151.3	3.9253	472.01267084032
Cond-001478	NPD1594	NPD1594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.7815805849	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3cccc(OC)c3)cc2o1)c1c(OC)cccc1	InChI=1S/C27H22O8/c1-4-33-27(30)25-23(19-10-5-6-11-21(19)32-3)24(28)20-13-12-18(15-22(20)35-25)34-26(29)16-8-7-9-17(14-16)31-2/h5-15H,4H2,1-3H3	C27H22O8	474.459	8	0	97.36	4	9	1	-0.525600000000001	5.25976	3.55	5.986	52.5968	131.9815	3.3891	429.470059290091
Cond-001479	NPD1595	NPD1595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.6595544088	Cc1c2oc(=O)c(CC(=O)O)c(C)c2cc2c1occ2c1ccc(cc1)c1ccccc1	InChI=1S/C27H20O5/c1-15-20-12-22-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)14-31-25(22)16(2)26(20)32-27(30)21(15)13-24(28)29/h3-12,14H,13H2,1-2H3,(H,28,29)	C27H20O5	424.445	5	1	76.74	5	4	1	0.9104	6.79350000000001	3.88	7.939	38.5619	128.2798	3.1044	379.842920487608
Cond-001480	NPD1596	NPD1596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.915686765	COc1cc(ccc1O[C@@H]1OC(COC(=O)C)[C@@H](OC(=O)C)C(OC(=O)C)C1OC(=O)C)C(=O)N1CCOCC1	InChI=1S/C26H33NO13/c1-14(28)35-13-21-22(36-15(2)29)23(37-16(3)30)24(38-17(4)31)26(40-21)39-19-7-6-18(12-20(19)33-5)25(32)27-8-10-34-11-9-27/h6-7,12,21-24,26H,8-11,13H2,1-5H3/t21?,22-,23?,24?,26-/m1/s1	C26H33NO13	567.539	14	0	162.43	3	14	2	-1.4851	1.36418	2.78	0.723	106.8091	137.6045	3.9651	514.460720579997
Cond-001481	NPD1597	NPD1597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.947210408	CN1CCc2c(n(CC(O)CN(CCO)CCO)c3c2cccc3)C1=O	InChI=1S/C19H27N3O4/c1-20-7-6-16-15-4-2-3-5-17(15)22(18(16)19(20)26)13-14(25)12-21(8-10-23)9-11-24/h2-5,14,23-25H,6-13H2,1H3	C19H27N3O4	361.435	7	3	89.17	3	8	0	-1.6006	0.29048	2.78	-0.154	67.4631	103.2834	2.7791	333.279684412613
Cond-001482	NPD1598	NPD1598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0420315236	CN1CCc2c(n(CC(O)Cn3nc(C)c(Br)c3C)c3c2cccc3)C1=O	InChI=1S/C20H23BrN4O2/c1-12-18(21)13(2)25(22-12)11-14(26)10-24-17-7-5-4-6-15(17)16-8-9-23(3)20(27)19(16)24/h4-7,14,26H,8-11H2,1-3H3	C20H23BrN4O2	431.326	6	1	63.29	4	4	0	1.0414	3.63892	2.89	2.826	63.5492	112.4928	2.8828	334.746218720691
Cond-001483	NPD16	NPD16	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4070450098	COc1cc(cc(OC)c1OC)C1=N/C(=C/c2ccc(cc2)N(C)C)/C(=O)O1	InChI=1S/C21H22N2O5/c1-23(2)15-8-6-13(7-9-15)10-16-21(24)28-20(22-16)14-11-17(25-3)19(27-5)18(12-14)26-4/h6-12H,1-5H3/b16-10+	C21H22N2O5	382.41	7	0	69.59	3	6	0	0.0270000000000006	3.17408	3	3.17	58.3754	109.654	2.8478	355.119285353541
Cond-001484	NPD160	NPD160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7884049787	CC(=O)O[C@H]1C[C@](C[C@H](OC(=O)C)[C@H]1OC(=O)C)(OC(=O)C)C(=O)N1CCCC1C(=O)N	InChI=1S/C20H28N2O10/c1-10(23)29-15-8-20(32-13(4)26,19(28)22-7-5-6-14(22)18(21)27)9-16(30-11(2)24)17(15)31-12(3)25/h14-17H,5-9H2,1-4H3,(H2,21,27)/t14?,15-,16-,17-,20+/m0/s1	C20H28N2O10	456.444	12	2	168.6	2	11	2	-2.2408	-0.41261	2.34	-0.682	97.0059	107.5654	3.238	423.84026903368
Cond-001485	NPD1600	NPD1600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.99430234	[C@@H]1(N[C@]2(C(=O)Nc3c2cccc3)[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1)C(C)C	InChI=1S/C22H21N3O3/c1-12(2)18-16-17(20(27)25(19(16)26)13-8-4-3-5-9-13)22(24-18)14-10-6-7-11-15(14)23-21(22)28/h3-12,16-18,24H,1-2H3,(H,23,28)/t16-,17-,18+,22-/m0/s1	C22H21N3O3	375.42	6	2	78.51	5	2	0	-1.8653	3.34228	3.22	3.387	50.3364	107.8244	2.7539	341.118659384852
Cond-001486	NPD1601	NPD1601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5394260912	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(Br)cc1	InChI=1S/C14H18BrNO6/c1-7(18)16-11-13(20)12(19)10(6-17)22-14(11)21-9-4-2-8(15)3-5-9/h2-5,10-14,17,19-20H,6H2,1H3,(H,16,18)/t10-,11-,12-,13-,14-/m1/s1	C14H18BrNO6	376.2	7	4	108.25	2	5	0	-1.483	0.50628	2.12	1.368	53.8783	85.4391	2.319	287.563230647234
Cond-001487	NPD1602	NPD1602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	24.2647593648	COc1c2C(C#CCOc3cc(C)c(Cl)cc3C(C)C)N(C)CCc2cc2c1OCO2	InChI=1S/C25H28ClNO4/c1-15(2)18-13-19(26)16(3)11-21(18)29-10-6-7-20-23-17(8-9-27(20)4)12-22-24(25(23)28-5)31-14-30-22/h11-13,15,20H,8-10,14H2,1-5H3	C25H28ClNO4	441.947	5	0	40.16	4	4	0	2.3849	6.13569000000001	3.55	4.74	76.2247	125.67	3.3097	410.007304718713
Cond-001488	NPD1603	NPD1603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.1323796824	COc1ccc(cc1)C(=O)Oc1cc2c3N(C(=O)C(=O)c3c1)C(C)(C)C=C2C	InChI=1S/C22H19NO5/c1-12-11-22(2,3)23-18-16(12)9-15(10-17(18)19(24)20(23)25)28-21(26)13-5-7-14(27-4)8-6-13/h5-11H,1-4H3	C22H19NO5	377.39	6	0	72.91	4	4	0	0.466799999999999	4.45276	3.22	3.544	54.7636	108.3855	2.7373	346.425592369641
Cond-001489	NPD1604	NPD1604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9854104542	CN1CCc2c(n(CC(O)Cn3nc(C)cc3C)c3c2cccc3)C1=O	InChI=1S/C20H24N4O2/c1-13-10-14(2)24(21-13)12-15(25)11-23-18-7-5-4-6-16(18)17-8-9-22(3)20(26)19(17)23/h4-7,10,15,25H,8-9,11-12H2,1-3H3	C20H24N4O2	352.43	6	1	63.29	4	4	0	0.152600000000001	2.87642	3	2.392	54.9501	104.7928	2.7078	315.462599743124
Cond-001490	NPD1605	NPD1605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7467330429	CCc1c(OC(=O)c2cccc(OC)c2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C27H22O7/c1-3-16-12-20-24(14-23(16)34-27(29)18-5-4-6-19(11-18)30-2)33-15-21(26(20)28)17-7-8-22-25(13-17)32-10-9-31-22/h4-8,11-15H,3,9-10H2,1-2H3	C27H22O7	458.459	7	0	80.29	5	6	1	-0.7877	6.15225	3.66	5.43	51.9259	132.2825	3.2648	410.95983258953
Cond-001491	NPD1606	NPD1606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5175408128	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1cn(Cc3ccccc3)c3c1cccc3)C2=O	InChI=1S/C29H35N3O/c1-3-14-28-18-31-20-29(15-4-2,27(28)33)21-32(19-28)26(31)24-17-30(16-22-10-6-5-7-11-22)25-13-9-8-12-23(24)25/h5-13,17,26H,3-4,14-16,18-21H2,1-2H3/t26?,28-,29+	C29H35N3O	441.608	4	0	28.48	3	7	1	-1.1222	5.64019000000001	4.21	6.589	73.3709	135.809	3.5572	423.990098364798
Cond-001492	NPD1607	NPD1607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.7126924476	COc1ccc(cc1OC)C1=C(C)C(c2ccccc2C)c2ccccc2O1	InChI=1S/C25H24O3/c1-16-9-5-6-10-19(16)24-17(2)25(28-21-12-8-7-11-20(21)24)18-13-14-22(26-3)23(15-18)27-4/h5-15,24H,1-4H3	C25H24O3	372.456	3	0	27.69	4	4	1	0.9177	6.04341	3.88	8.035	39.3286	111.473	2.9428	358.836332637952
Cond-001493	NPD1608	NPD1608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.625772821	COc1ccccc1N1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2OCOc2c3)/C1=O	InChI=1S/C25H26N4O7/c1-28-9-8-14-10-19-21(36-13-35-19)22(34-3)20(14)17(28)12-26-11-15-23(30)27-25(32)29(24(15)31)16-6-4-5-7-18(16)33-2/h4-7,10-11,17,26H,8-9,12-13H2,1-3H3,(H,27,30,32)/b15-11-	C25H26N4O7	494.497	11	2	118.67	5	6	0	-1.6063	3.12036	3	2.195	79.4383	135.3034	3.4682	436.527821572064
Cond-001494	NPD1609	NPD1609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0166782488	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)(C)N1C(=O)N(C2=O)c1c(OC)cc(OC)cc1	InChI=1S/C23H23N3O4/c1-23(2)20-15(14-7-5-6-8-16(14)24-20)12-18-21(27)25(22(28)26(18)23)17-10-9-13(29-3)11-19(17)30-4/h5-11,18,24H,12H2,1-4H3/t18-/m0/s1	C23H23N3O4	405.446	7	1	74.87	5	3	0	-0.7758	3.52097000000001	3.22	3.541	54.7719	117.057	2.9535	356.30487071128
Cond-001495	NPD161	NPD161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0283332506	COc1cc(C)c(cc1C(C)C)C(=O)CCc1cc(C(C)C)c(OC)cc1C	InChI=1S/C25H34O3/c1-15(2)20-13-19(17(5)11-24(20)27-7)9-10-23(26)22-14-21(16(3)4)25(28-8)12-18(22)6/h11-16H,9-10H2,1-8H3	C25H34O3	382.536	3	0	35.53	2	8	1	2.1596	6.84682000000001	3.88	7.108	68.932	121.507	3.289	402.358626141953
Cond-001496	NPD1610	NPD1610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1873055383	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccccc3C)cc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C28H24O8/c1-5-34-28(31)26-24(17-10-13-21(32-3)23(14-17)33-4)25(29)20-12-11-18(15-22(20)36-26)35-27(30)19-9-7-6-8-16(19)2/h6-15H,5H2,1-4H3	C28H24O8	488.485	8	0	97.36	4	9	1	0.1164	5.34249000000001	3.66	6.731	58.0989	135.8875	3.53	446.766043915958
Cond-001497	NPD1611	NPD1611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.6660423393	COc1ccccc1C(CCN(Cc1ccccc1)C(=O)C)c1ccc2OCOc2c1	InChI=1S/C26H27NO4/c1-19(28)27(17-20-8-4-3-5-9-20)15-14-22(23-10-6-7-11-24(23)29-2)21-12-13-25-26(16-21)31-18-30-25/h3-13,16,22H,14-15,17-18H2,1-2H3	C26H27NO4	417.497	5	0	48	4	9	1	-1.3751	5.92858000000001	3.77	6.706	43.7695	125.5	3.2422	395.919304172547
Cond-001498	NPD1612	NPD1612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3630222667	COc1cc(ccc1O[C@@H]1OC(COC(=O)C)[C@@H](OC(=O)C)C(OC(=O)C)C1OC(=O)C)C(=O)N(CCO)CCO	InChI=1S/C26H35NO14/c1-14(30)36-13-21-22(37-15(2)31)23(38-16(3)32)24(39-17(4)33)26(41-21)40-19-7-6-18(12-20(19)35-5)25(34)27(8-10-28)9-11-29/h6-7,12,21-24,26,28-29H,8-11,13H2,1-5H3/t21?,22-,23?,24?,26-/m1/s1	C26H35NO14	585.554	15	2	193.66	2	18	2	-2.2516	0.318580000000002	2.67	-0.295	110.3192	140.9571	4.1324	535.607405981358
Cond-001499	NPD1614	NPD1614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7059465899	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)ccc12	InChI=1S/C30H26N2O6/c1-18-22-12-11-21(15-27(22)38-30(36)24(18)13-19-7-3-2-4-8-19)37-17-28(33)32-26(29(34)35)14-20-16-31-25-10-6-5-9-23(20)25/h2-12,15-16,26,31H,13-14,17H2,1H3,(H,32,33)(H,34,35)/t26-/m0/s1	C30H26N2O6	510.537	8	3	117.72	5	10	1	-0.6619	4.76926000000001	3.88	6.609	56.6033	147.5965	3.74240000000001	459.878162781303
Cond-001500	NPD1615	NPD1615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1806354766	COc1ccc(NCC(O)Cn2c3c(cccc3)c3c2C(=O)N(C)CC3)cc1	InChI=1S/C22H25N3O3/c1-24-12-11-19-18-5-3-4-6-20(18)25(21(19)22(24)27)14-16(26)13-23-15-7-9-17(28-2)10-8-15/h3-10,16,23,26H,11-14H2,1-2H3	C22H25N3O3	379.452	6	2	66.73	4	6	0	-1.2118	3.72467000000001	3.22	2.913	51.2029	114.3985	2.9055	345.211576786452
Cond-001501	NPD1616	NPD1616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2282700933	CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(=O)C13)c1ccc(C)cc1)C=C2	InChI=1S/C21H25NO4/c1-3-4-5-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)15-8-6-14(2)7-9-15/h6-11,16-18H,3-5,12-13H2,1-2H3/t16-,17?,18?,21-/m1/s1	C21H25NO4	355.428	5	0	55.84	4	7	0	-1.1844	3.42159	3.22	3.741	68.175	100.04	2.7097	341.785215846413
Cond-001502	NPD1618	NPD1618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0461874167	CCn1c(=S)[nH]c(O)c(C2NCCc3cc(OC)c(OC)cc23)c1=O	InChI=1S/C17H21N3O4S/c1-4-20-16(22)13(15(21)19-17(20)25)14-10-8-12(24-3)11(23-2)7-9(10)5-6-18-14/h7-8,14,18,21H,4-6H2,1-3H3,(H,19,25)	C17H21N3O4S	363.431	7	3	115.15	3	4	0	0.3586	1.21578	2.45	1.462	72.7761	98.9642	2.6178	325.460280517679
Cond-001503	NPD1619	NPD1619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9491193738	CCCOc1cc2c(n3CCc4cc(OCC)c(OCC)cc4c3c2c2cc(OCC)c(OCC)cc2)c2ccccc12	InChI=1S/C37H41NO5/c1-6-19-43-31-23-29-35(25-15-16-30(39-7-2)32(21-25)40-8-3)37-28-22-34(42-10-5)33(41-9-4)20-24(28)17-18-38(37)36(29)27-14-12-11-13-26(27)31/h11-16,20-23H,6-10,17-19H2,1-5H3	C37H41NO5	579.725	6	0	51.08	6	12	2	0.695599999999999	10.57177	4.87	8.335	73.642	181.412999999999	4.5476	543.179526954441
Cond-001504	NPD162	NPD162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4688416252	CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1O	InChI=1S/C22H20N2O8/c1-4-31-12-7-5-11(6-8-12)24-20(26)16(19(25)23-22(24)28)17-13-9-10-14(29-2)18(30-3)15(13)21(27)32-17/h5-10,17,26H,4H2,1-3H3,(H,23,25,28)	C22H20N2O8	440.403	10	2	123.63	4	6	0	-0.632500000000002	2.97528	2.78	2.909	60.232	113.6495	3.0132	383.793032679491
Cond-001505	NPD1620	NPD1620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1501835111	CCOc1c(OCC)cc(CC2N(CCc3cc(OCC)c(OCC)cc23)C(=O)c2c(Br)cccc2)cc1	InChI=1S/C31H36BrNO5/c1-5-35-27-14-13-21(18-28(27)36-6-2)17-26-24-20-30(38-8-4)29(37-7-3)19-22(24)15-16-33(26)31(34)23-11-9-10-12-25(23)32/h9-14,18-20,26H,5-8,15-17H2,1-4H3	C31H36BrNO5	582.525	6	0	57.23	4	12	2	1.3276	6.65349000000001	4.1	7.308	79.9063	155.131	4.1804	510.473072980009
Cond-001506	NPD1621	NPD1621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.3387991319	CCCN1C(=O)C2Cc3c([nH]c4c3cccc4)C(N2C1=S)c1ccccc1	InChI=1S/C22H21N3OS/c1-2-12-24-21(26)18-13-16-15-10-6-7-11-17(15)23-19(16)20(25(18)22(24)27)14-8-4-3-5-9-14/h3-11,18,20,23H,2,12-13H2,1H3	C22H21N3OS	375.487	4	1	71.43	5	3	1	-0.6427	3.82048	3.33	6	51.2836	113.528	2.8	331.14723004133
Cond-001507	NPD1622	NPD1622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3403597595	COC(=O)Cc1c(C)c2ccc(OCc3cccc(c3)C(F)(F)F)c(C)c2oc1=O	InChI=1S/C22H19F3O5/c1-12-16-7-8-18(29-11-14-5-4-6-15(9-14)22(23,24)25)13(2)20(16)30-21(27)17(12)10-19(26)28-3/h4-9H,10-11H2,1-3H3	C22H19F3O5	420.378	5	0	61.83	3	7	1	2.2711	4.99489	3	5.528	54.4778	105.755	2.8422	368.624426113993
Cond-001508	NPD1625	NPD1625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9223535086	CCCc1c(OCc2ccc(F)cc2)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C28H25FO5/c1-2-4-20-13-22-26(15-25(20)33-16-18-5-8-21(29)9-6-18)34-17-23(28(22)30)19-7-10-24-27(14-19)32-12-3-11-31-24/h5-10,13-15,17H,2-4,11-12,16H2,1H3	C28H25FO5	460.494	5	0	53.99	5	6	1	-1.0768	7.08325000000001	3.88	6.701	51.759	133.54	3.349	419.379381365381
Cond-001509	NPD1626	NPD1626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7671232877	Cc1c(c(=O)c2ccc(OCc3cc(Cl)cc4c3OCOC4)cc2o1)c1ccccc1	InChI=1S/C25H19ClO5/c1-15-23(16-5-3-2-4-6-16)24(27)21-8-7-20(11-22(21)31-15)29-13-18-10-19(26)9-17-12-28-14-30-25(17)18/h2-11H,12-14H2,1H3	C25H19ClO5	434.868	5	0	53.99	5	4	1	0.1577	5.45398	3.55	6.601	45.255	119.279	3.031	376.634936407908
Cond-001510	NPD1627	NPD1627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.0114126929	CCC[C@]12CN3C[C@](C)(CN(C1)C13C(=O)N(CC)c3c1cc(Br)cc3)C2=O	InChI=1S/C21H26BrN3O2/c1-4-8-20-12-23-10-19(3,17(20)26)11-24(13-20)21(23)15-9-14(22)6-7-16(15)25(5-2)18(21)27/h6-7,9H,4-5,8,10-13H2,1-3H3/t19-,20+,21?	C21H26BrN3O2	432.354	5	0	43.86	2	3	0	0.163799999999999	3.44969	3.11	2.11	82.7413	110.603	2.9013	355.761901839191
Cond-001511	NPD1628	NPD1628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.0925970581	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCN(CC5)C(=O)c5ccco5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C46H55N3O14/c1-22-12-10-13-23(2)44(57)47-34-35(48-16-18-49(19-17-48)45(58)30-14-11-20-60-30)40(55)31-32(39(34)54)38(53)27(6)42-33(31)43(56)46(8,63-42)61-21-15-29(59-9)24(3)41(62-28(7)50)26(5)37(52)25(4)36(22)51/h10-15,20-22,24-26,29,36-37,41,51-53H,16-19H2,1-9H3,(H,47,57)/b12-10-,21-15-,23-13-/t22-,24+,25+,26-,29-,36?,37-,41+,46-/m0/s1	C46H55N3O14	873.941	17	4	231.68	5	6	1	-2.02929999999999	4.22277000000001	4.65	2.757	189.1385	227.757099999999	6.41460000000002	824.739573206221
Cond-001512	NPD1629	NPD1629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.7381028662	CCC(=O)N(CCC(C(C)C)c1ccco1)Cc1ccc(OC(C)C)cc1	InChI=1S/C23H33NO3/c1-6-23(25)24(14-13-21(17(2)3)22-8-7-15-26-22)16-19-9-11-20(12-10-19)27-18(4)5/h7-12,15,17-18,21H,6,13-14,16H2,1-5H3	C23H33NO3	371.513	4	0	42.68	2	11	2	-0.802699999999998	5.52969000000001	3.55	5.791	65.7295	111.305	3.15	381.399875799186
Cond-001513	NPD163	NPD163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4833659491	Cc1cc2c(cc1)n1CCN(CC(=O)c3c[nH]c4c3cccc4)C3CCCc2c13	InChI=1S/C25H25N3O/c1-16-9-10-22-19(13-16)18-6-4-8-23-25(18)28(22)12-11-27(23)15-24(29)20-14-26-21-7-3-2-5-17(20)21/h2-3,5,7,9-10,13-14,23,26H,4,6,8,11-12,15H2,1H3	C25H25N3O	383.485	4	1	41.03	6	3	1	-0.758400000000001	4.68229000000001	3.77	5.162	48.017	120.217	2.9506	341.26970116053
Cond-001514	NPD1630	NPD1630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.3187351472	COC(=O)c1c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2cccnc2)c(C)[nH]1	InChI=1S/C23H28N4O5/c1-13-16(14(2)25-18(13)23(31)32-5)20(28)17-19(15-8-6-9-24-12-15)27(22(30)21(17)29)11-7-10-26(3)4/h6,8-9,12,19,25,29H,7,10-11H2,1-5H3	C23H28N4O5	440.492	9	2	115.83	3	9	0	-0.614600000000001	1.36853	3	2.514	80.0398	119.2383	3.3292	411.704775021608
Cond-001515	NPD1631	NPD1631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.065459037	CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12	InChI=1S/C20H25NO6/c1-5-13-9-18(23)27-19-12(4)16(7-6-14(13)19)26-10-17(22)21-15(20(24)25)8-11(2)3/h6-7,9,11,15H,5,8,10H2,1-4H3,(H,21,22)(H,24,25)/t15-/m0/s1	C20H25NO6	375.416	7	2	101.93	2	9	0	0.464200000000001	3.52879	2.89	3.204	74.052	105.0705	2.8604	364.146143322469
Cond-001516	NPD1632	NPD1632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6439829872	CCC[C@@]12CN3C[C@@](CCC)(CN(C1)C(=O)c1c(cccc1)C3=O)C2=O	InChI=1S/C21H26N2O3/c1-3-9-20-11-22-13-21(10-4-2,19(20)26)14-23(12-20)18(25)16-8-6-5-7-15(16)17(22)24/h5-8H,3-4,9-14H2,1-2H3/t20-,21+	C21H26N2O3	354.443	5	0	57.69	3	4	0	-2.5752	2.72229	3.22	2.979	71.6702	100.9595	2.7508	343.991749354019
Cond-001517	NPD1633	NPD1633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1312794688	CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	InChI=1S/C22H21N5O3/c1-24-21(28)16-13-17-20(25-18-5-3-4-11-26(18)22(17)29)27(19(16)23)12-10-14-6-8-15(30-2)9-7-14/h3-9,11,13,23H,10,12H2,1-2H3,(H,24,28)	C22H21N5O3	403.434	8	2	98.09	4	6	0	-0.532200000000001	1.67742	3	2.07	87.9983	115.0304	2.9761	381.095721100386
Cond-001518	NPD1634	NPD1634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.097847358	COc1cc2c(cc1)c(COc1ccc3c(=O)c(coc3c1)c1ccc(Cl)cc1)cc(=O)o2	InChI=1S/C26H17ClO6/c1-30-18-6-8-20-16(10-25(28)33-24(20)11-18)13-31-19-7-9-21-23(12-19)32-14-22(26(21)29)15-2-4-17(27)5-3-15/h2-12,14H,13H2,1H3	C26H17ClO6	460.863	6	0	71.06	5	5	1	-0.0422999999999997	6.71704	3.55	5.417	49.8831	130.2325	3.1446	397.448230332735
Cond-001519	NPD1635	NPD1635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5681215336	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCC(CC5)C(=O)O)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C43H54N2O14/c1-19-11-10-12-20(2)41(53)44-31-32(45-16-13-26(14-17-45)42(54)55)37(51)28-29(36(31)50)35(49)24(6)39-30(28)40(52)43(8,59-39)57-18-15-27(56-9)21(3)38(58-25(7)46)23(5)34(48)22(4)33(19)47/h10-12,15,18-19,21-23,26-27,33-34,38,47-49H,13-14,16-17H2,1-9H3,(H,44,53)(H,54,55)/b11-10-,18-15-,20-12-/t19-,21+,22+,23-,27-,33-,34-,38+,43-/m0/s1	C43H54N2O14	822.894	16	5	235.53	4	5	1	-2.2241	4.33896000000001	4.43	2.518	187.3176	215.924599999999	6.08670000000002	790.384235222854
Cond-001520	NPD1636	NPD1636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.7610320714	[C@@H]12C3CCCN3[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(OC(=O)C)cc1	InChI=1S/C24H21N3O5/c1-13(28)32-15-10-8-14(9-11-15)27-21(29)19-18-7-4-12-26(18)24(20(19)22(27)30)16-5-2-3-6-17(16)25-23(24)31/h2-3,5-6,8-11,18-20H,4,7,12H2,1H3,(H,25,31)/t18?,19-,20+,24-/m1/s1	C24H21N3O5	431.441	8	1	96.02	6	3	0	-2.6502	3.09148	3.22	2.191	57.9181	118.7367	3.0015	378.298164636108
Cond-001521	NPD1637	NPD1637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.487443392	Cc1c2oc(=O)c3c(CCC3)c2ccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C24H23NO6/c1-14-20(11-10-17-16-8-5-9-18(16)24(29)31-22(14)17)30-13-21(26)25-19(23(27)28)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,19H,5,8-9,12-13H2,1H3,(H,25,26)(H,27,28)/t19-/m0/s1	C24H23NO6	421.443	7	2	101.93	4	8	0	-0.8609	3.86949	3.33	4.77	61.3447	118.2645	3.0778	389.807788321935
Cond-001522	NPD1638	NPD1638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9997588618	COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2c(=O)c(coc2c1)c1c(OC)cccc1	InChI=1S/C26H22O8/c1-29-20-8-6-5-7-17(20)19-14-33-21-13-16(9-10-18(21)24(19)27)34-26(28)15-11-22(30-2)25(32-4)23(12-15)31-3/h5-14H,1-4H3	C26H22O8	462.448	8	0	89.52	4	8	0	-0.965	5.34366	3.44	4.726	50.8602	129.5095	3.2912	414.810533365024
Cond-001523	NPD1639	NPD1639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9828791898	CCOC(=O)c1c(c(=O)c2ccc(OC)cc2o1)c1ccc(Br)cc1	InChI=1S/C19H15BrO5/c1-3-24-19(22)18-16(11-4-6-12(20)7-5-11)17(21)14-9-8-13(23-2)10-15(14)25-18/h4-10H,3H2,1-2H3	C19H15BrO5	403.223	5	0	61.83	3	5	0	0.5061	4.55917	2.89	4.763	47.5884	99.8895	2.5414	317.81741466304
Cond-001524	NPD164	NPD164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	107.153162377	COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]21C(=O)Nc1c2cccc1	InChI=1S/C22H24N2O6/c1-21(2)10-14(25)16-15(11-21)30-18(23)17(19(26)29-9-8-28-3)22(16)12-6-4-5-7-13(12)24-20(22)27/h4-7H,8-11,23H2,1-3H3,(H,24,27)/t22-/m1/s1	C22H24N2O6	412.436	8	3	116.95	4	5	0	-0.154000000000002	1.88787	3	1.44	111.8385	88.1425	4.5562	371.485496679968
Cond-001525	NPD1640	NPD1640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.264187867	COc1c(cccc1)c1c(C)oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2c1=O	InChI=1S/C26H21ClO6/c1-15-24(20-5-3-4-6-22(20)29-2)25(28)21-8-7-19(11-23(21)33-15)31-13-17-10-18(27)9-16-12-30-14-32-26(16)17/h3-11H,12-14H2,1-2H3	C26H21ClO6	464.894	6	0	63.22	5	5	1	0.1059	5.46258	3.55	5.313	52.5708	125.831	3.2306	402.721147734335
Cond-001526	NPD1641	NPD1641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.699300699	COc1cc2c([nH]c(C(=O)O)c2CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]23C)cc1	InChI=1S/C37H46N2O9/c1-35-14-10-22(40)18-21(35)4-6-25-27(35)11-15-36(2)28(25)12-16-37(36,46)30(41)20-48-32(43)9-8-31(42)38-17-13-24-26-19-23(47-3)5-7-29(26)39-33(24)34(44)45/h5,7,18-19,25,27-28,39,46H,4,6,8-17,20H2,1-3H3,(H,38,42)(H,44,45)/t25?,27?,28?,35-,36-,37-/m0/s1	C37H46N2O9	662.769	11	4	172.09	6	13	1	-0.996099999999996	4.50677000000001	4.32	3.155	142.1221	179.6083	4.9682	627.31011136645
Cond-001527	NPD1642	NPD1642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3229922442	CC(C)C(CCNC(=O)CC1(CCOC(C)(C)C1)c1ccc(Cl)cc1)c1ccco1	InChI=1S/C25H34ClNO3/c1-18(2)21(22-6-5-14-29-22)11-13-27-23(28)16-25(12-15-30-24(3,4)17-25)19-7-9-20(26)10-8-19/h5-10,14,18,21H,11-13,15-17H2,1-4H3,(H,27,28)	C25H34ClNO3	431.995	4	1	51.47	3	9	1	0.6392	6.32989000000001	3.66	6.491	75.846	124.1687	3.4456	418.846454120553
Cond-001528	NPD1643	NPD1643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7715109098	CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](C(C)C)C(=O)O)ccc12	InChI=1S/C20H25NO6/c1-6-13-9-16(22)27-18-11(4)15(8-7-14(13)18)26-12(5)19(23)21-17(10(2)3)20(24)25/h7-10,12,17H,6H2,1-5H3,(H,21,23)(H,24,25)/t12?,17-/m0/s1	C20H25NO6	375.416	7	2	101.93	2	8	0	0.3046	3.52719	2.89	2.95	74.2597	105.0485	2.8604	364.146143322469
Cond-001529	NPD1644	NPD1644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9416445623	CCCc1c(OCc2ccc(F)cc2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C27H23FO5/c1-2-3-19-12-21-25(14-24(19)32-15-17-4-7-20(28)8-5-17)33-16-22(27(21)29)18-6-9-23-26(13-18)31-11-10-30-23/h4-9,12-14,16H,2-3,10-11,15H2,1H3	C27H23FO5	446.467	5	0	53.99	5	6	1	-0.788800000000001	6.69315000000001	3.77	6.343	48.8474	128.923	3.2081	402.083396739514
Cond-001530	NPD1645	NPD1645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	94.3163839058	Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3Cl)ccc12	InChI=1S/C20H17ClO5/c1-12-15-7-6-14(25-11-13-4-2-3-5-17(13)21)10-18(15)26-20(24)16(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)	C20H17ClO5	372.799	5	1	72.83	3	6	0	1.0867	4.87148	3	4.246	48.253	101.8728	2.6297	331.040848081774
Cond-001531	NPD1646	NPD1646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7943091391	[C@@H]12[C@H](C)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1	InChI=1S/C20H16ClN3O3/c1-10-15-16(18(26)24(17(15)25)12-6-4-5-11(21)9-12)20(23-10)13-7-2-3-8-14(13)22-19(20)27/h2-10,15-16,23H,1H3,(H,22,27)/t10-,15+,16-,20+/m0/s1	C20H16ClN3O3	381.812	6	2	78.51	5	1	0	-1.6426	3.35958	2.89	2.617	47.5829	103.6704	2.5945	321.737757903552
Cond-001532	NPD1647	NPD1647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5225048924	CCc1c(OC(=O)c2ccc(OC)c(OC)c2)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C30H28O8/c1-5-18-13-21-25(16-24(18)38-30(32)20-8-9-22(33-3)26(15-20)34-4)37-17(2)28(29(21)31)19-7-10-23-27(14-19)36-12-6-11-35-23/h7-10,13-16H,5-6,11-12H2,1-4H3	C30H28O8	516.539	8	0	89.52	5	7	1	-0.6138	6.94105000000001	3.88	5.58	67.9718	148.0685	3.7462	471.638013167691
Cond-001533	NPD1649	NPD1649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.31926694	CCc1c(OCC(=C)C)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C23H22O5/c1-4-15-9-17-21(11-20(15)27-12-14(2)3)28-13-18(23(17)24)16-5-6-19-22(10-16)26-8-7-25-19/h5-6,9-11,13H,2,4,7-8,12H2,1,3H3	C23H22O5	378.418	5	0	53.99	4	5	0	0.3666	5.80554000000001	3.44	4.006	59.0789	114.369	2.8214	355.361275488141
Cond-001534	NPD165	NPD165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.987718931	CC(=O)OCC(=O)[C@@]1(O)[C@@H](CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C)OC(=O)C	InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17?,18?,19?,21-,22+,23+,24+,25-/m1/s1	C25H31FO8	478.507	8	2	127.2	4	6	0	-0.636700000000001	1.84837	3.22	0.862	116.6119	118.5846	3.426	452.100859794264
Cond-001535	NPD1650	NPD1650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3462744152	CCOC(=O)c1c(c(=O)c2ccc(OCc3ccc(cc3)C(=O)OC)cc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C29H26O9/c1-5-36-29(32)27-25(19-10-13-22(33-2)24(14-19)34-3)26(30)21-12-11-20(15-23(21)38-27)37-16-17-6-8-18(9-7-17)28(31)35-4/h6-15H,5,16H2,1-4H3	C29H26O9	518.511	9	0	106.59	4	11	2	-0.565800000000001	5.06666000000001	3.66	5.274	64.6248	141.9385	3.7296	472.852255242386
Cond-001536	NPD1651	NPD1651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5548589342	[C@H]12C=Cc3c(cccc3)N1[C@H](C(=O)OCC)[C@@H](C(=O)c1ccc(CCC)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C32H30N2O4/c1-3-9-20-14-16-22(17-15-20)29(35)27-28(30(36)38-4-2)34-25-13-8-5-10-21(25)18-19-26(34)32(27)23-11-6-7-12-24(23)33-31(32)37/h5-8,10-19,26-28H,3-4,9H2,1-2H3,(H,33,37)/t26-,27+,28+,32-/m1/s1	C32H30N2O4	506.592	6	1	75.71	6	7	1	-1.0523	6.35376000000001	4.32	7.855	68.9248	150.0192	3.84120000000001	478.069678631914
Cond-001537	NPD1652	NPD1652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2297241663	OC(COc1c(Cl)cc(Cl)cc1)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H22Cl2N2O3/c21-15-4-5-19(17(22)7-15)27-12-16(25)11-23-8-13-6-14(10-23)18-2-1-3-20(26)24(18)9-13/h1-5,7,13-14,16,25H,6,8-12H2/t13-,14-,16?/m1/s1	C20H22Cl2N2O3	409.306	5	1	53.01	4	5	0	0.0925000000000011	3.55416	2.89	1.65	83.0741	109.7008	2.8547	357.117900269019
Cond-001538	NPD1653	NPD1653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.77487989	CCCCCCc1c(OCC(=O)C(C)(C)C)cc2oc(=O)cc(c3ccccc3)c2c1	InChI=1S/C27H32O4/c1-5-6-7-9-14-20-15-22-21(19-12-10-8-11-13-19)16-26(29)31-24(22)17-23(20)30-18-25(28)27(2,3)4/h8,10-13,15-17H,5-7,9,14,18H2,1-4H3	C27H32O4	420.541	4	0	52.6	3	10	1	-0.0274000000000024	7.20686000000001	3.99	8.632	68.3795	129.704	3.4349	428.111445991847
Cond-001539	NPD1654	NPD1654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.084148728	CCc1c(OC(=O)c2cccs2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C24H18O6S/c1-2-14-10-16-20(12-19(14)30-24(26)22-4-3-9-31-22)29-13-17(23(16)25)15-5-6-18-21(11-15)28-8-7-27-18/h3-6,9-13H,2,7-8H2,1H3	C24H18O6S	434.461	6	0	99.3	5	5	1	-0.1453	6.20515	3.33	5.197	52.4036	123.6075	2.9899	371.427134769768
Cond-001540	NPD1655	NPD1655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9992765855	CCc1c(OCC(=O)N)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C23H23NO6/c1-3-14-9-16-19(11-18(14)29-12-21(24)25)30-13(2)22(23(16)26)15-5-6-17-20(10-15)28-8-4-7-27-17/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,24,25)	C23H23NO6	409.432	7	2	97.08	4	5	0	-1.4098	4.83425	3.22	2.788	60.6711	118.4749	2.9799	375.148262396869
Cond-001541	NPD1656	NPD1656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9831203279	COc1ccc(cc1)C(=O)Oc1ccc2c(=O)c(c3c(OC)cccc3)c(oc2c1)C(F)(F)F	InChI=1S/C25H17F3O6/c1-31-15-9-7-14(8-10-15)24(30)33-16-11-12-18-20(13-16)34-23(25(26,27)28)21(22(18)29)17-5-3-4-6-19(17)32-2/h3-13H,1-2H3	C25H17F3O6	470.394	6	0	71.06	4	7	1	0.3109	6.25896	3.22	6.549	42.7492	121.4035	3.08600000000001	398.136771888954
Cond-001542	NPD1657	NPD1657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.1660849979	CCc1c(C)c2ccc(OCC(=O)c3cc(OC)ccc3)c(C)c2oc1=O	InChI=1S/C22H22O5/c1-5-17-13(2)18-9-10-20(14(3)21(18)27-22(17)24)26-12-19(23)15-7-6-8-16(11-15)25-4/h6-11H,5,12H2,1-4H3	C22H22O5	366.407	5	0	61.83	3	6	0	0.904900000000001	5.19489	3.33	4.186	54.3677	107.9905	2.7891	350.421749563074
Cond-001543	NPD1658	NPD1658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.011741683	CCCc1c(OCC(=O)N)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C22H21NO6/c1-2-3-14-8-15-19(10-18(14)29-12-21(23)24)28-11-16(22(15)25)13-4-5-17-20(9-13)27-7-6-26-17/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,23,24)	C22H21NO6	395.405	7	2	97.08	4	6	0	-2.1167	4.44415	3.11	2.763	55.2662	113.8579	2.839	357.852277771002
Cond-001544	NPD1659	NPD1659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.329153605	COc1ccc(cc1)c1c/c(=N\c2ccc(NC(=O)C)cc2)/c2c(C)oc(C)c2c(OC)c1	InChI=1S/C27H26N2O4/c1-16-26-24(29-22-10-8-21(9-11-22)28-18(3)30)14-20(19-6-12-23(31-4)13-7-19)15-25(32-5)27(26)17(2)33-16/h6-15H,1-5H3,(H,28,30)/b29-24+	C27H26N2O4	442.506	6	1	73.06	4	6	1	0.0772999999999999	5.90970000000001	3.77	5.628	65.8544	133.7597	3.3969	418.93913160498
Cond-001545	NPD166	NPD166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	71.3909718429	COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C31H43NO10/c1-29-10-8-18(33)12-17(29)4-5-20-21-9-11-31(40,30(21,2)14-23(35)27(20)29)24(36)16-42-26(38)7-6-25(37)32-15-19(34)13-22(32)28(39)41-3/h12,19-23,27,34-35,40H,4-11,13-16H2,1-3H3/t19?,20?,21?,22?,23?,27?,29-,30-,31-/m0/s1	C31H43NO10	589.674	11	3	167.74	5	10	1	-2.2506	1.40758	3.66	-0.552	145.5312	149.3634	4.3623	566.029963607646
Cond-001546	NPD1660	NPD1660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.6160632871	CCC(=O)N(CCC1(CCOC(C1)C(C)C)c1ccccc1OC)Cc1cc2c(OCO2)cc1	InChI=1S/C28H37NO5/c1-5-27(30)29(18-21-10-11-24-25(16-21)34-19-33-24)14-12-28(13-15-32-26(17-28)20(2)3)22-8-6-7-9-23(22)31-4/h6-11,16,20,26H,5,12-15,17-19H2,1-4H3	C28H37NO5	467.597	6	0	57.23	4	10	1	-0.2962	5.72078000000001	3.88	5.454	82.4882	135.922	3.7117	458.110876227242
Cond-001547	NPD1661	NPD1661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.9611767543	CCOc1cc(c/c(=N\c2ccc3OCOc3c2)/c2c(C)oc(C)c12)c1cc(OC)c(OC)cc1	InChI=1S/C28H27NO6/c1-6-32-26-13-19(18-7-9-22(30-4)24(12-18)31-5)11-21(27-16(2)35-17(3)28(26)27)29-20-8-10-23-25(14-20)34-15-33-23/h7-14H,6,15H2,1-5H3/b29-21+	C28H27NO6	473.517	7	0	71.65	5	6	1	0.598099999999998	5.74551000000001	3.77	5.189	72.0702	135.323	3.4898	433.098809423802
Cond-001548	NPD1662	NPD1662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.230464886	COC(=O)Cc1c(C)c2ccc(OCc3ccc(C=C)cc3)cc2oc1=O	InChI=1S/C22H20O5/c1-4-15-5-7-16(8-6-15)13-26-17-9-10-18-14(2)19(12-21(23)25-3)22(24)27-20(18)11-17/h4-11H,1,12-13H2,2-3H3	C22H20O5	364.391	5	0	61.83	3	7	1	1.2385	4.19396000000001	3.33	5.616	52.6883	104.593	2.7461	347.785290862274
Cond-001549	NPD1663	NPD1663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3111505976	COC(=O)Cc1c(C)c2ccc(OCc3ccc(F)cc3F)cc2oc1=O	InChI=1S/C20H16F2O5/c1-11-15-6-5-14(26-10-12-3-4-13(21)7-17(12)22)8-18(15)27-20(24)16(11)9-19(23)25-2/h3-8H,9-10H2,1-2H3	C20H16F2O5	374.335	5	0	61.83	3	6	0	1.4904	4.01187	2.89	4.009	44.2861	95.48	2.5427	327.964898011953
Cond-001550	NPD1664	NPD1664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.439275422	CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)ccc12	InChI=1S/C21H27N3O7/c1-3-5-13-10-18(26)31-19-12(2)16(8-7-14(13)19)30-11-17(25)24-15(20(27)28)6-4-9-23-21(22)29/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,24,25)(H,27,28)(H3,22,23,29)/t15-/m0/s1	C21H27N3O7	433.455	10	5	157.05	2	13	1	-2.0376	2.32129	2.67	1.253	79.1356	117.0526	3.2166	409.58941636443
Cond-001551	NPD1665	NPD1665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.1456736575	COc1ccc(CN(CCC(C(C)C)c2ccco2)C(=O)c2ccco2)cc1	InChI=1S/C23H27NO4/c1-17(2)20(21-6-4-14-27-21)12-13-24(23(25)22-7-5-15-28-22)16-18-8-10-19(26-3)11-9-18/h4-11,14-15,17,20H,12-13,16H2,1-3H3	C23H27NO4	381.465	5	0	55.82	3	10	1	-0.992799999999998	4.98239	3.44	5.378	47.4021	109.612	3.0141	361.660726397347
Cond-001552	NPD1666	NPD1666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.967476328	CC(C)C[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-10(2)6-17(21(25)26)23-20(24)8-16-12(4)15-7-14-11(3)13(5)28-18(14)9-19(15)29-22(16)27/h7,9-10,17H,6,8H2,1-5H3,(H,23,24)(H,25,26)/t17-/m1/s1	C22H25NO6	399.437	7	2	105.84	3	7	0	1.3865	3.71971	3.11	3.32	73.7783	112.0325	2.9906	372.845195172602
Cond-001553	NPD1667	NPD1667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3532317826	[C@H]12Cc3c([nH]c4c3cccc4)C(N1C(=O)N(CCc1ccccc1)C2=O)c1ccc(cc1)C(C)C	InChI=1S/C30H29N3O2/c1-19(2)21-12-14-22(15-13-21)28-27-24(23-10-6-7-11-25(23)31-27)18-26-29(34)32(30(35)33(26)28)17-16-20-8-4-3-5-9-20/h3-15,19,26,28,31H,16-18H2,1-2H3/t26-,28?/m1/s1	C30H29N3O2	463.57	5	1	56.41	6	5	1	-0.476599999999999	4.97578000000001	4.21	9.253	53.202	139.881	3.58480000000001	428.630474888025
Cond-001554	NPD1668	NPD1668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.209223151	CCCSc1nsc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1	InChI=1S/C18H23N5O2S2/c1-2-6-26-18-20-17(27-21-18)19-15(24)11-22-8-12-7-13(10-22)14-4-3-5-16(25)23(14)9-12/h3-5,12-13H,2,6-11H2,1H3,(H,19,20,21,24)/t12-,13-/m0/s1	C18H23N5O2S2	405.538	7	1	131.97	4	7	0	-0.635	3.30425	2.45	0.956	95.9499	110.5137	2.8958	353.321897515558
Cond-001555	NPD1669	NPD1669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1819614499	COC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1c(OC)cc(OC)cc1	InChI=1S/C21H22N2O4/c1-25-12-8-9-14(18(10-12)26-2)19-20-15(11-17(23-19)21(24)27-3)13-6-4-5-7-16(13)22-20/h4-10,17,19,22-23H,11H2,1-3H3	C21H22N2O4	366.41	6	2	72.58	4	5	0	-1.0783	3.31668	3.11	3.205	44.8061	107.6697	2.7235	325.70905865298
Cond-001556	NPD167	NPD167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.6930693069	OC(=O)CCCNC(=O)COc1cc2c(cc1)c(cc(=O)o2)c1ccccc1	InChI=1S/C21H19NO6/c23-19(22-10-4-7-20(24)25)13-27-15-8-9-16-17(14-5-2-1-3-6-14)12-21(26)28-18(16)11-15/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,23)(H,24,25)	C21H19NO6	381.379	7	2	101.93	3	9	0	-1.3977	2.94907	3	4.351	48.33	105.2145	2.7637	350.276293145135
Cond-001557	NPD1670	NPD1670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2244996383	Fc1ccc(cc1)c1csc(n1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H18FN3OS/c21-16-6-4-14(5-7-16)17-12-26-20(22-17)23-9-13-8-15(11-23)18-2-1-3-19(25)24(18)10-13/h1-7,12-13,15H,8-11H2/t13-,15-/m1/s1	C20H18FN3OS	367.44	4	0	64.68	5	2	0	0.315799999999999	4.75455	3	3.055	63.5029	105.306	2.5789	316.159278340703
Cond-001558	NPD1671	NPD1671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1145859395	COc1ccc(cc1)C(=O)NCCC(c1ccc(OC(C)C)cc1)c1ccccc1OC	InChI=1S/C27H31NO4/c1-19(2)32-23-15-9-20(10-16-23)24(25-7-5-6-8-26(25)31-4)17-18-28-27(29)21-11-13-22(30-3)14-12-21/h5-16,19,24H,17-18H2,1-4H3,(H,28,29)	C27H31NO4	433.539	5	1	56.79	3	11	2	-1.2476	5.95019000000001	3.88	6.936	50.291	131.4087	3.49170000000001	425.571747499214
Cond-001559	NPD1672	NPD1672	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1513463324	COC(=O)Cc1c(C)c2ccc(OCc3cc(C)ccc3)cc2oc1=O	InChI=1S/C21H20O5/c1-13-5-4-6-15(9-13)12-25-16-7-8-17-14(2)18(11-20(22)24-3)21(23)26-19(17)10-16/h4-10H,11-12H2,1-3H3	C21H20O5	352.38	5	0	61.83	3	6	1	1.173	3.76169	3.22	5.047	48.0432	99.204	2.6482	333.125764937207
Cond-001560	NPD1673	NPD1673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.7058114299	COc1cc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)ccc1	InChI=1S/C21H19NO7/c1-25-14-3-2-4-15(11-14)28-19-13-27-18-12-16(5-6-17(18)20(19)23)29-21(24)22-7-9-26-10-8-22/h2-6,11-13H,7-10H2,1H3	C21H19NO7	397.378	8	0	83.53	4	6	0	-1.3155	4.04825	2.89	3.394	54.0487	110.2885	2.7568	349.346519845696
Cond-001561	NPD1674	NPD1674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.3963334788	Cc1cc2c(oc(=O)cc2COc2ccc3c(=O)c(coc3c2)c2ccc3OCCOc3c2)c(C)c1	InChI=1S/C29H22O7/c1-16-9-17(2)29-22(10-16)19(12-27(30)36-29)14-34-20-4-5-21-25(13-20)35-15-23(28(21)31)18-3-6-24-26(11-18)33-8-7-32-24/h3-6,9-13,15H,7-8,14H2,1-2H3	C29H22O7	482.481	7	0	80.29	6	4	1	0.264199999999999	6.38307	3.88	5.313	60.6185	139.0015	3.395	430.558884439663
Cond-001562	NPD1675	NPD1675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.5039787798	CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccccc3)cc12	InChI=1S/C22H20O5/c1-14(2)25-22(24)21-15(3)26-19-11-10-17(13-18(19)21)27-20(23)12-9-16-7-5-4-6-8-16/h4-14H,1-3H3/b12-9+	C22H20O5	364.391	5	0	65.74	3	7	1	0.5165	5.17759	3.33	7.134	45.3738	108.1875	2.7461	336.885290862274
Cond-001563	NPD1676	NPD1676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.791295747	COC(=O)Cc1c(C)c2ccc(OCc3cc4c(OCO4)cc3Cl)c(C)c2oc1=O	InChI=1S/C22H19ClO7/c1-11-14-4-5-17(12(2)21(14)30-22(25)15(11)7-20(24)26-3)27-9-13-6-18-19(8-16(13)23)29-10-28-18/h4-6,8H,7,9-10H2,1-3H3	C22H19ClO7	430.835	7	0	80.29	4	6	0	1.6146	5.20008	3	3.338	61.1309	114.725	2.9203	370.856812033829
Cond-001564	NPD1677	NPD1677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3667210282	COC(=O)Cc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O	InChI=1S/C21H18F2O5/c1-11-15-6-7-18(27-10-13-4-5-14(22)8-17(13)23)12(2)20(15)28-21(25)16(11)9-19(24)26-3/h4-8H,9-10H2,1-3H3	C21H18F2O5	388.361	5	0	61.83	3	6	0	2.1324	4.59539	3	4.121	49.7882	101.447	2.6836	345.26088263782
Cond-001565	NPD1678	NPD1678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.824692549	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(cc1)C(=O)O	InChI=1S/C33H39NO9/c1-31-13-11-22(35)15-21(31)7-8-23-24-12-14-33(42,32(24,2)16-25(36)29(23)31)26(37)18-43-28(39)10-9-27(38)34-17-19-3-5-20(6-4-19)30(40)41/h3-6,15,23-24,29,42H,7-14,16-18H2,1-2H3,(H,34,38)(H,40,41)/t23?,24?,29?,31-,32-,33-/m0/s1	C33H39NO9	593.664	10	3	164.14	5	11	1	-1.4369	2.89058	3.99	1.123	127.6812	154.4933	4.4134	570.385871355618
Cond-001566	NPD1679	NPD1679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.196834817	Cc1ccc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)cc1	InChI=1S/C21H20O5/c1-12-4-6-15(7-5-12)11-25-18-9-8-16-13(2)17(10-19(22)23)21(24)26-20(16)14(18)3/h4-9H,10-11H2,1-3H3,(H,22,23)	C21H20O5	352.38	5	1	72.83	3	5	0	1.564	4.43952000000001	3.22	4.838	48.7762	101.8528	2.6482	333.125764937207
Cond-001567	NPD168	NPD168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5888311112	C(CC(Cc1ccccc1)c1cc2c(OCO2)cc1)NCc1ccccc1	InChI=1S/C24H25NO2/c1-3-7-19(8-4-1)15-22(13-14-25-17-20-9-5-2-6-10-20)21-11-12-23-24(16-21)27-18-26-23/h1-12,16,22,25H,13-15,17-18H2	C24H25NO2	359.461	3	1	30.49	4	8	1	-0.9728	5.08279	3.77	8.746	30.6655	109.5227	2.886	346.383340220491
Cond-001568	NPD1680	NPD1680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7877710975	COC(=O)Cc1c(C)c2ccc(OCc3cc(F)ccc3)cc2oc1=O	InChI=1S/C20H17FO5/c1-12-16-7-6-15(25-11-13-4-3-5-14(21)8-13)9-18(16)26-20(23)17(12)10-19(22)24-2/h3-9H,10-11H2,1-2H3	C20H17FO5	356.344	5	0	61.83	3	6	0	1.0107	3.87277	3	4.05	43.4136	95.522	2.525	321.897339161647
Cond-001569	NPD1681	NPD1681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.997376303	COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)c(C)c2oc1=O	InChI=1S/C26H30O5/c1-13-14(2)16(4)22(17(5)15(13)3)12-30-23-10-9-20-18(6)21(11-24(27)29-8)26(28)31-25(20)19(23)7/h9-10H,11-12H2,1-8H3	C26H30O5	422.513	5	0	61.83	3	6	1	4.383	4.45729	3.77	6.451	75.5537	119.731	3.3527	419.605688066541
Cond-001570	NPD1682	NPD1682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4784181336	CCc1c(OC(=O)c2ccc(OC)c(OC)c2)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C29H26O8/c1-4-17-12-20-25(15-24(17)37-29(31)19-7-8-22(32-2)26(14-19)33-3)36-16-21(28(20)30)18-6-9-23-27(13-18)35-11-5-10-34-23/h6-9,12-16H,4-5,10-11H2,1-3H3	C29H26O8	502.512	8	0	89.52	5	7	1	-1.1275	6.55095	3.77	5.344	62.1533	143.4515	3.6053	454.342028541825
Cond-001571	NPD1683	NPD1683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	61.8335361053	CC(C)COC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1	InChI=1S/C22H27NO5/c1-13(2)12-28-18(26)14-6-8-15(9-7-14)23-19(27)22-11-10-21(5,20(22,3)4)16(24)17(22)25/h6-9,13H,10-12H2,1-5H3,(H,23,27)	C22H27NO5	385.453	6	1	89.54	3	7	0	0.272399999999999	3.37079	3.22	3.542	77.5038	106.7827	2.9749	377.591427172841
Cond-001572	NPD1684	NPD1684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.2164448571	CCN(CC)C(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C	InChI=1S/C20H25NO6/c1-6-21(7-2)17(22)11-26-16-9-8-14-12(3)15(10-18(23)25-5)20(24)27-19(14)13(16)4/h8-9H,6-7,10-11H2,1-5H3	C20H25NO6	375.416	7	0	82.14	2	9	0	1.0302	3.32489	2.89	2.088	75.3155	104.936	2.8604	364.146143322469
Cond-001573	NPD1685	NPD1685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7508788944	COc1cc2c(cc1OC)[C@H](C)N(CC2)C(=O)CSc1nc(O)cc(=O)n1c1ccc(F)cc1	InChI=1S/C24H24FN3O5S/c1-14-18-11-20(33-3)19(32-2)10-15(18)8-9-27(14)23(31)13-34-24-26-21(29)12-22(30)28(24)17-6-4-16(25)5-7-17/h4-7,10-12,14,29H,8-9,13H2,1-3H3/t14-/m0/s1	C24H24FN3O5S	485.528	8	1	116.97	4	7	0	0.570599999999999	4.06776	3	3.025	77.965	131.3028	3.3999	427.587664945614
Cond-001574	NPD1686	NPD1686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1020014468	CCCCCCCCNC1=C2NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c(C2=O)c(c4C3=O)C1=O)/C	InChI=1S/C45H62N2O12/c1-11-12-13-14-15-16-21-46-34-35-40(53)32-31(39(34)52)33-42(28(7)38(32)51)59-45(9,43(33)54)57-22-20-30(56-10)25(4)41(58-29(8)48)27(6)37(50)26(5)36(49)23(2)18-17-19-24(3)44(55)47-35/h17-20,22-23,25-27,30,36-37,41,46,49-51H,11-16,21H2,1-10H3,(H,47,55)/b18-17-,22-20-,24-19-/t23-,25+,26+,27-,30-,36-,37-,41+,45-/m0/s1	C45H62N2O12	822.98	14	5	207.02	3	11	3	-3.3855	6.12187000000001	4.87	5.974	189.7116	222.951299999999	6.40270000000002	822.388668475064
Cond-001575	NPD1687	NPD1687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.344862839	CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)C(C)(C)C)c(C)c2oc1=O	InChI=1S/C27H32O5/c1-7-30-24(28)15-13-22-17(2)21-12-14-23(18(3)25(21)32-26(22)29)31-16-19-8-10-20(11-9-19)27(4,5)6/h8-12,14H,7,13,15-16H2,1-6H3	C27H32O5	436.54	5	0	61.83	3	9	1	3.042	6.39489000000001	3.88	7.434	76.3292	129.465	3.4936	436.901672692408
Cond-001576	NPD1688	NPD1688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.056751468	CCc1c(OCc2cc(=O)oc3c2ccc(OC)c3)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C30H24O8/c1-3-17-10-22-26(37-16-23(30(22)32)18-4-7-24-28(11-18)35-9-8-34-24)14-25(17)36-15-19-12-29(31)38-27-13-20(33-2)5-6-21(19)27/h4-7,10-14,16H,3,8-9,15H2,1-2H3	C30H24O8	512.507	8	0	89.52	6	6	0	-0.764700000000002	6.89803	3.88	4.904	67.2806	147.6515	3.5946	456.645095766091
Cond-001577	NPD1689	NPD1689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	109.096219848	COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)c(C)c2oc1=O	InChI=1S/C21H18BrFO5/c1-11-15-6-7-18(27-10-13-4-5-14(22)8-17(13)23)12(2)20(15)28-21(25)16(11)9-19(24)26-3/h4-8H,9-10H2,1-3H3	C21H18BrFO5	449.267	5	0	61.83	3	6	0	2.5415	5.21879	3	4.596	57.5148	109.189	2.8409	358.47694276508
Cond-001578	NPD169	NPD169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0410958904	CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C39H68O2/c1-5-7-9-11-13-14-15-17-19-21-37(40)41-33-26-28-39(4)32(30-33)22-24-34-35-25-23-31(20-18-16-12-10-8-6-2)38(35,3)29-27-36(34)39/h22,31,33-36H,5-21,23-30H2,1-4H3/t31?,33-,34?,35?,36?,38+,39-/m0/s1	C39H68O2	568.956	2	0	26.3	4	19	2	-3.2043	12.30878	5.53	16.754	147.9857	177.882999999999	5.20070000000001	645.981560305922
Cond-001579	NPD1690	NPD1690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.918195094	CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3)c(C)c2oc1=O	InChI=1S/C23H23FO5/c1-4-27-21(25)12-10-19-14(2)18-9-11-20(15(3)22(18)29-23(19)26)28-13-16-5-7-17(24)8-6-16/h5-9,11H,4,10,12-13H2,1-3H3	C23H23FO5	398.424	5	0	61.83	3	8	0	1.9655	5.23649000000001	3.33	4.754	58.0749	110.723	2.9477	373.785293039247
Cond-001580	NPD1691	NPD1691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4068000965	COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1	InChI=1S/C22H14O8/c1-26-21(24)13-4-6-14(7-5-13)29-19-12-28-18-11-15(8-9-16(18)20(19)23)30-22(25)17-3-2-10-27-17/h2-12H,1H3	C22H14O8	406.342	8	0	101.27	4	7	0	-1.306	5.17785	3	4.737	37.3714	110.494	2.7276	345.626594861557
Cond-001581	NPD1692	NPD1692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0763209393	CCOC(=O)c1c(oc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc12)c1ccc(OC)cc1	InChI=1S/C28H26O9/c1-6-35-28(30)24-20-15-19(11-12-21(20)37-25(24)16-7-9-18(31-2)10-8-16)36-27(29)17-13-22(32-3)26(34-5)23(14-17)33-4/h7-15H,6H2,1-5H3	C28H26O9	506.501	9	0	102.66	4	11	1	-0.1908	5.97377	3.55	4.879	53.4562	143.3445	3.6317	447.292729317319
Cond-001582	NPD1693	NPD1693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1468531469	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(Nc5ccc(Br)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C43H49BrN2O12/c1-19-11-10-12-20(2)42(54)46-33-32(45-27-15-13-26(44)14-16-27)37(51)29-30(38(33)52)36(50)24(6)40-31(29)41(53)43(8,58-40)56-18-17-28(55-9)21(3)39(57-25(7)47)23(5)35(49)22(4)34(19)48/h10-19,21-23,28,34-35,39,45,48-50H,1-9H3,(H,46,54)/b11-10-,18-17-,20-12-/t19-,21+,22+,23-,28-,34-,35-,39+,43-/m0/s1	C43H49BrN2O12	865.759	14	5	207.02	4	5	2	-0.831599999999994	6.64646000000001	4.54	5.114	170.2302	219.5803	6.05830000000002	775.914483397699
Cond-001583	NPD1694	NPD1694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9696165903	CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C)C(O)C(=O)O	InChI=1S/C31H43NO10/c1-28(2,26(38)27(39)40)16-32-23(36)7-8-24(37)42-15-22(35)31(41)12-10-20-19-6-5-17-13-18(33)9-11-29(17,3)25(19)21(34)14-30(20,31)4/h13,19-20,25-26,38,41H,5-12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19?,20?,25?,26?,29-,30-,31-/m0/s1	C31H43NO10	589.674	11	4	184.37	4	12	2	-1.1401	2.06888	3.66	-0.563	147.1933	150.6561	4.4279	575.749963607646
Cond-001584	NPD1695	NPD1695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.574722108	O=C(Nc1cc2c(OCCO2)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H21N3O4/c24-19-3-1-2-16-14-8-13(11-23(16)19)10-22(12-14)20(25)21-15-4-5-17-18(9-15)27-7-6-26-17/h1-5,9,13-14H,6-8,10-12H2,(H,21,25)/t13-,14+/m1/s1	C20H21N3O4	367.398	7	1	71.11	5	3	0	-1.6804	3.41085	2.89	0.651	74.5441	103.5637	2.6168	331.48983423528
Cond-001585	NPD1696	NPD1696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8987237546	[C@H]1(CCC(=O)N1C1OC(=O)c2c1cccc2)C(=O)N1CCC(CC1)C(=O)OC	InChI=1S/C20H22N2O6/c1-27-19(25)12-8-10-21(11-9-12)17(24)15-6-7-16(23)22(15)18-13-4-2-3-5-14(13)20(26)28-18/h2-5,12,15,18H,6-11H2,1H3/t15-,18?/m0/s1	C20H22N2O6	386.398	8	0	93.22	4	5	0	-2.3251	0.9402	2.78	1.703	65.9934	98.296	2.743	350.429986129035
Cond-001586	NPD1697	NPD1697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8926935134	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CCC(=O)O)C(=O)O	InChI=1S/C30H41NO10/c1-28-12-9-18(32)15-17(28)3-4-19-20(28)10-13-29(2)21(19)11-14-30(29,40)23(33)16-41-26(37)8-6-24(34)31-22(27(38)39)5-7-25(35)36/h15,19-22,40H,3-14,16H2,1-2H3,(H,31,34)(H,35,36)(H,38,39)/t19?,20?,21?,22?,28-,29-,30-/m0/s1	C30H41NO10	575.647	11	4	184.37	4	13	2	-1.4412	2.73618	3.55	1.281	140.3452	146.2691	4.287	558.45397898178
Cond-001587	NPD1698	NPD1698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4203758655	CCCCCCc1c(C)c2cc3c(occ3c3cc(OC)ccc3)c(C)c2oc1=O	InChI=1S/C26H28O4/c1-5-6-7-8-12-20-16(2)21-14-22-23(18-10-9-11-19(13-18)28-4)15-29-24(22)17(3)25(21)30-26(20)27/h9-11,13-15H,5-8,12H2,1-4H3	C26H28O4	404.498	4	0	48.67	4	7	1	0.0252999999999998	7.39969000000001	3.88	6.96	56.5197	123.956	3.1854	387.55900266518
Cond-001588	NPD1699	NPD1699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4878225223	CCOC(=O)C(Oc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(=O)OCC)c1ccccc1	InChI=1S/C30H28O9/c1-5-36-29(32)27(18-10-8-7-9-11-18)38-20-13-14-21-23(17-20)39-28(30(33)37-6-2)25(26(21)31)19-12-15-22(34-3)24(16-19)35-4/h7-17,27H,5-6H2,1-4H3	C30H28O9	532.538	9	0	106.59	4	12	2	-0.4841	5.14737000000001	3.77	6.578	67.5292	144.4075	3.8705	490.148239868252
Cond-001589	NPD170	NPD170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8410388836	C[C@]12CCC3C(CCc4c3ccc(OC(=O)CCN3CCOCC3)c4)C1CCC2=O	InChI=1S/C25H33NO4/c1-25-10-8-20-19-5-3-18(30-24(28)9-11-26-12-14-29-15-13-26)16-17(19)2-4-21(20)22(25)6-7-23(25)27/h3,5,16,20-22H,2,4,6-15H2,1H3/t20?,21?,22?,25-/m0/s1	C25H33NO4	411.534	5	0	55.84	5	5	0	0.420900000000001	4.47418000000001	3.66	4.062	89.9716	118.881	3.2077	401.24915434988
Cond-001590	NPD1700	NPD1700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0242643775	COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3cc(OC)ccc3)cc2oc1=O	InChI=1S/C22H19ClO7/c1-12-15-8-17(23)20(10-19(15)30-22(26)16(12)9-21(25)28-3)29-11-18(24)13-5-4-6-14(7-13)27-2/h4-8,10H,9,11H2,1-3H3	C22H19ClO7	430.835	7	0	88.13	3	8	0	0.746299999999999	4.41787	3	3.228	60.6683	113.3755	2.9859	380.576812033829
Cond-001591	NPD1701	NPD1701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8129310773	COC(=O)Cc1c(C)c2ccc(OCc3c(Cl)cc(Cl)cc3)cc2oc1=O	InChI=1S/C20H16Cl2O5/c1-11-15-6-5-14(26-10-12-3-4-13(21)7-17(12)22)8-18(15)27-20(24)16(11)9-19(23)25-2/h3-8H,9-10H2,1-2H3	C20H16Cl2O5	407.244	5	0	61.83	3	6	0	2.0196	5.04047	2.89	4.283	53.7723	105.584	2.7521	346.251915852207
Cond-001592	NPD1702	NPD1702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3529003126	COc1cccc(c1)C(=O)COc1c2c(oc(=O)c(Cc3ccccc3)c2C)cc(C)c1	InChI=1S/C27H24O5/c1-17-12-24(31-16-23(28)20-10-7-11-21(15-20)30-3)26-18(2)22(27(29)32-25(26)13-17)14-19-8-5-4-6-9-19/h4-13,15H,14,16H2,1-3H3	C27H24O5	428.476	5	0	61.83	4	7	1	1.0542	5.47209000000001	3.88	7.304	48.6182	125.5185	3.256	405.735837889208
Cond-001593	NPD1703	NPD1703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.027007475	CC(C)CC(NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)C)C(=O)O	InChI=1S/C33H47NO9/c1-19(2)16-26(30(40)41)34-28(38)8-9-29(39)42-18-27(37)33(43-20(3)35)15-12-25-23-7-6-21-17-22(36)10-13-31(21,4)24(23)11-14-32(25,33)5/h17,19,23-26H,6-16,18H2,1-5H3,(H,34,38)(H,40,41)/t23?,24?,25?,26?,31-,32-,33-/m0/s1	C33H47NO9	601.728	10	2	153.14	4	14	1	0.259400000000003	4.48828000000001	3.99	3.981	153.5362	158.4015	4.651	601.551706158818
Cond-001594	NPD1704	NPD1704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2640949555	COC(=O)Cc1c(C)c2ccc(OCc3c(C)ccc(C)c3)cc2oc1=O	InChI=1S/C22H22O5/c1-13-5-6-14(2)16(9-13)12-26-17-7-8-18-15(3)19(11-21(23)25-4)22(24)27-20(18)10-17/h5-10H,11-12H2,1-4H3	C22H22O5	366.407	5	0	61.83	3	6	1	1.815	3.78971	3.33	5.37	53.5453	102.844	2.7891	350.421749563074
Cond-001595	NPD1705	NPD1705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.646228367	COC(=O)Cc1c(C)c2ccc(OCc3cc(C)cc(C)c3)cc2oc1=O	InChI=1S/C22H22O5/c1-13-7-14(2)9-16(8-13)12-26-17-5-6-18-15(3)19(11-21(23)25-4)22(24)27-20(18)10-17/h5-10H,11-12H2,1-4H3	C22H22O5	366.407	5	0	61.83	3	6	1	1.815	3.78971	3.33	5.37	53.5453	102.844	2.7891	350.421749563074
Cond-001596	NPD1706	NPD1706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	27.7000219069	Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c(C)c1C	InChI=1S/C25H28O5/c1-12-13(2)15(4)21(16(5)14(12)3)11-29-22-9-8-19-17(6)20(10-23(26)27)25(28)30-24(19)18(22)7/h8-9H,10-11H2,1-7H3,(H,26,27)	C25H28O5	408.487	5	1	72.83	3	5	1	4.132	4.5516	3.66	6.13	70.7846	116.4128	3.2118	402.309703440675
Cond-001597	NPD1707	NPD1707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.124668435	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCOCC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C41H52N2O13/c1-19-11-10-12-20(2)40(51)42-30-31(43-14-17-53-18-15-43)36(49)27-28(35(30)48)34(47)24(6)38-29(27)39(50)41(8,56-38)54-16-13-26(52-9)21(3)37(55-25(7)44)23(5)33(46)22(4)32(19)45/h10-13,16,19,21-23,26,32-33,37,45-47H,14-15,17-18H2,1-9H3,(H,42,51)/b11-10-,16-13-,20-12-/t19-,21+,22+,23-,26-,32-,33-,37+,41-/m0/s1	C41H52N2O13	780.857	15	4	207.46	4	4	1	-1.39449999999999	3.50397000000001	4.32	2.202	181.697	203.9646	5.78920000000002	749.638497971359
Cond-001598	NPD1708	NPD1708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.119373777	COc1c(cccc1)c1c(oc2cc(OCc3cc(=O)oc4c3c(C)cc(C)c4)ccc2c1=O)C(F)(F)F	InChI=1S/C29H21F3O6/c1-15-10-16(2)25-17(12-24(33)37-23(25)11-15)14-36-18-8-9-20-22(13-18)38-28(29(30,31)32)26(27(20)34)19-6-4-5-7-21(19)35-3/h4-13H,14H2,1-3H3	C29H21F3O6	522.469	6	0	71.06	5	6	1	1.6697	7.10689000000001	3.66	7.324	61.7923	137.7665	3.498	452.327792990821
Cond-001599	NPD171	NPD171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.736525618	COc1ccc(CN(CCC(c2ccccc2)c2cc3c(OCO3)cc2)C(=O)C)cc1OC	InChI=1S/C27H29NO5/c1-19(29)28(17-20-9-11-24(30-2)26(15-20)31-3)14-13-23(21-7-5-4-6-8-21)22-10-12-25-27(16-22)33-18-32-25/h4-12,15-16,23H,13-14,17-18H2,1-3H3	C27H29NO5	447.523	6	0	57.23	4	10	1	-1.4269	5.38168000000001	3.77	6.684	51.0853	129.725	3.4418	422.005515498975
Cond-001600	NPD1710	NPD1710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1686264699	CC(C)CCC1(CCNC(=O)CC(C(C)C)c2ccco2)CCOC(C)(C)C1	InChI=1S/C24H41NO3/c1-18(2)9-10-24(12-15-28-23(5,6)17-24)11-13-25-22(26)16-20(19(3)4)21-8-7-14-27-21/h7-8,14,18-20H,9-13,15-17H2,1-6H3,(H,25,26)	C24H41NO3	391.587	4	1	51.47	2	11	2	1.32939999999999	6.16109000000001	3.66	6.758	95.3556	117.5437	3.4199	417.505236527453
Cond-001601	NPD1711	NPD1711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7542896362	COC(=O)Cc1c(C)c2ccc(OCc3cccc(OC)c3)cc2oc1=O	InChI=1S/C21H20O6/c1-13-17-8-7-16(26-12-14-5-4-6-15(9-14)24-2)10-19(17)27-21(23)18(13)11-20(22)25-3/h4-10H,11-12H2,1-3H3	C21H20O6	368.38	6	0	71.06	3	7	0	0.4792	3.74227	3.11	3.647	49.8569	102.116	2.7069	341.915991637768
Cond-001602	NPD1712	NPD1712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8608480856	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1c(OC)cc(OC)cc1)C2=O)[nH]c1ccccc31	InChI=1S/C23H22N4O4/c1-30-15-8-7-14(21(9-15)31-2)11-24-27-13-22(28)26-12-19-17(10-20(26)23(27)29)16-5-3-4-6-18(16)25-19/h3-9,11,20,25H,10,12-13H2,1-2H3/b24-11+/t20-/m1/s1	C23H22N4O4	418.445	8	1	87.23	5	4	0	-2.1127	2.53237	3.11	3.042	57.828	120.558	3.0103	364.665172218647
Cond-001603	NPD1713	NPD1713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.6370576705	COC(=O)Cc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O	InChI=1S/C19H22O7/c1-10(2)25-17(21)9-24-15-7-6-13-11(3)14(8-16(20)23-5)19(22)26-18(13)12(15)4/h6-7,10H,8-9H2,1-5H3	C19H22O7	362.374	7	0	88.13	2	8	0	0.920700000000003	3.40809	2.78	2.514	69.38	98.236	2.6784	344.643625188996
Cond-001604	NPD1714	NPD1714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4544732794	COc1cccc(c1)c1coc2c1cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C	InChI=1S/C27H22O4/c1-16-21-14-23-24(19-10-7-11-20(13-19)29-3)15-30-25(23)17(2)26(21)31-27(28)22(16)12-18-8-5-4-6-9-18/h4-11,13-15H,12H2,1-3H3	C27H22O4	410.461	4	0	48.67	5	4	1	1.5198	6.67199	3.99	7.591	38.7102	125.343	3.0887	373.689152487847
Cond-001605	NPD1715	NPD1715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.5078369906	COCCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccccc3)cc12	InChI=1S/C22H20O6/c1-15-21(22(24)26-13-12-25-2)18-14-17(9-10-19(18)27-15)28-20(23)11-8-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b11-8+	C22H20O6	380.391	6	0	74.97	3	9	1	0.435700000000001	4.41559000000001	3.22	6.061	46.9187	109.7945	2.8048	345.675517562835
Cond-001606	NPD1719	NPD1719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4005776494	COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2cc(OC)c(OC)cc2)c1=N	InChI=1S/C23H22N4O5/c1-30-17-8-7-14(12-18(17)31-2)9-11-27-20(24)15(23(29)32-3)13-16-21(27)25-19-6-4-5-10-26(19)22(16)28/h4-8,10,12-13,24H,9,11H2,1-3H3	C23H22N4O5	434.445	9	1	104.52	4	7	0	-0.0402999999999987	2.11302	3	2.157	94.1643	119.5317	3.1346	404.975398919208
Cond-001607	NPD172	NPD172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0740688454	CC(C)NC(=O)OC[C@@]12COC(CCc3ccccc3)C([C@H]1C)C(=CC2C)C	InChI=1S/C24H35NO3/c1-16(2)25-23(26)28-15-24-14-27-21(12-11-20-9-7-6-8-10-20)22(19(24)5)17(3)13-18(24)4/h6-10,13,16,18-19,21-22H,11-12,14-15H2,1-5H3,(H,25,26)/t18?,19-,21?,22?,24-/m1/s1	C24H35NO3	385.54	4	1	47.56	3	8	1	0.338199999999999	4.51148000000001	3.66	7.081	84.0711	114.7147	3.2253	399.875860425053
Cond-001608	NPD1720	NPD1720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3754631536	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c(C)c1c2	InChI=1S/C20H20N2O7/c1-9-11(3)28-15-6-16-13(4-12(9)15)10(2)14(20(27)29-16)5-17(23)21-7-18(24)22-8-19(25)26/h4,6H,5,7-8H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)	C20H20N2O7	400.382	9	3	134.94	3	8	0	-0.323299999999999	1.60392	2.67	0.531	68.3014	107.7282	2.8243	355.403754128796
Cond-001609	NPD1721	NPD1721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.588526212	COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3)c(C)c2oc1=O	InChI=1S/C21H19BrO5/c1-12-16-8-9-18(26-11-14-4-6-15(22)7-5-14)13(2)20(16)27-21(24)17(12)10-19(23)25-3/h4-9H,10-11H2,1-3H3	C21H19BrO5	431.277	5	0	61.83	3	6	0	2.0618	5.07969	3.11	4.637	56.6423	109.231	2.8232	352.409383914774
Cond-001610	NPD1722	NPD1722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8538702677	COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O	InChI=1S/C21H19NO7/c1-25-16-4-2-3-5-17(16)29-19-13-27-18-12-14(6-7-15(18)20(19)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3	C21H19NO7	397.378	8	0	83.53	4	6	0	-1.3155	4.04825	2.89	3.394	54.0487	110.2885	2.7568	349.346519845696
Cond-001611	NPD1723	NPD1723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2809527132	COc1c(OC)c(CCNC(=O)CCCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc1	InChI=1S/C26H33N3O5/c1-33-22-8-3-6-19(26(22)34-2)12-13-27-23(30)9-5-10-24(31)28-15-18-14-20(17-28)21-7-4-11-25(32)29(21)16-18/h3-4,6-8,11,18,20H,5,9-10,12-17H2,1-2H3,(H,27,30)/t18-,20+/m0/s1	C26H33N3O5	467.557	8	1	88.18	4	11	1	-2.0921	2.37967	3.44	1.04	102.6275	129.9267	3.5865	453.775968691042
Cond-001612	NPD1724	NPD1724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.7322810275	COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc4ccccc34)cc2oc1=O	InChI=1S/C24H19ClO5/c1-14-18-10-20(25)22(12-21(18)30-24(27)19(14)11-23(26)28-2)29-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-10,12H,11,13H2,1-2H3	C24H19ClO5	422.858	5	0	61.83	4	6	1	1.2753	5.54027	3.44	6.696	48.1567	118.08	2.9987	371.695410482841
Cond-001613	NPD1725	NPD1725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.454810992	CCOC(=O)CCc1c(C)c2ccc(OC3CCCCC3=O)cc2oc1=O	InChI=1S/C21H24O6/c1-3-25-20(23)11-10-16-13(2)15-9-8-14(12-19(15)27-21(16)24)26-18-7-5-4-6-17(18)22/h8-9,12,18H,3-7,10-11H2,1-2H3	C21H24O6	372.412	6	0	78.9	3	7	0	-0.417900000000004	4.16487000000001	3.11	2.852	68.9409	102.671	2.7929	358.088909039369
Cond-001614	NPD1726	NPD1726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.542074364	COc1ccc(cc1)c1c/c(=N\c2ccc(C)cc2C)/c2c(C)oc(C)c2c(OC)c1	InChI=1S/C27H27NO3/c1-16-7-12-23(17(2)13-16)28-24-14-21(20-8-10-22(29-5)11-9-20)15-25(30-6)27-19(4)31-18(3)26(24)27/h7-15H,1-6H3/b28-24+	C27H27NO3	413.508	4	0	43.96	4	4	1	1.9862	4.84746000000001	3.99	7.028	63.9927	122.692	3.2814	401.788603397052
Cond-001615	NPD1727	NPD1727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0731276911	COC1OC(COS(=O)(=O)c2ccc(C)cc2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C	InChI=1S/C20H26O11S/c1-11-6-8-15(9-7-11)32(24,25)27-10-16-17(28-12(2)21)18(29-13(3)22)19(30-14(4)23)20(26-5)31-16/h6-9,16-20H,10H2,1-5H3	C20H26O11S	474.479	11	0	149.11	2	11	2	-0.2581	1.3341	2.34	1.342	81.0584	104.491	3.2606	418.245999375508
Cond-001616	NPD1728	NPD1728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6095972993	CCOC(=O)COc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(=O)OCC	InChI=1S/C24H24O9/c1-5-30-20(25)13-32-15-8-9-16-18(12-15)33-23(24(27)31-6-2)21(22(16)26)14-7-10-17(28-3)19(11-14)29-4/h7-12H,5-6,13H2,1-4H3	C24H24O9	456.442	9	0	106.59	3	11	1	-0.528799999999999	3.74717	3.11	3.567	68.7684	120.8695	3.2627	417.538166916252
Cond-001617	NPD1729	NPD1729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8618964223	COC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1cc(COc2c(cc(Cl)c(C)c2)C(C)C)c(OC)cc1	InChI=1S/C31H33ClN2O4/c1-17(2)22-14-24(32)18(3)12-28(22)38-16-20-13-19(10-11-27(20)36-4)29-30-23(15-26(34-29)31(35)37-5)21-8-6-7-9-25(21)33-30/h6-14,17,26,29,33-34H,15-16H2,1-5H3	C31H33ClN2O4	533.058	6	2	72.58	5	8	1	0.790200000000001	6.85319000000001	4.1	6.877	69.2071	155.9357	4.0173	482.714137878881
Cond-001618	NPD173	NPD173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1635982066	COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1	InChI=1S/C26H30N4O5/c1-27-23(32)26(24(33)28(2)25(27)34,12-17-7-9-20(35-3)10-8-17)16-29-13-18-11-19(15-29)21-5-4-6-22(31)30(21)14-18/h4-10,18-19H,11-16H2,1-3H3/t18-,19+/m1/s1	C26H30N4O5	478.54	9	0	90.47	5	5	0	-1.3784	1.59477	3.33	0.911	105.3054	129.743	3.5347	449.779811497608
Cond-001619	NPD1730	NPD1730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	87.3413803776	Cc1c(CC(=O)O)c(=O)oc2cc(OCc3cccc4ccccc34)ccc12	InChI=1S/C23H18O5/c1-14-18-10-9-17(11-21(18)28-23(26)20(14)12-22(24)25)27-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-11H,12-13H2,1H3,(H,24,25)	C23H18O5	374.386	5	1	72.83	4	5	1	0.28	4.98118	3.44	6.279	37.772	109.7518	2.7354	339.188358086541
Cond-001620	NPD1731	NPD1731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.379168382	[C@H]1(CCC(=O)N1C1OC(=O)c2c1cccc2)C(=O)Nc1cccc(Br)c1	InChI=1S/C19H15BrN2O4/c20-11-4-3-5-12(10-11)21-17(24)15-8-9-16(23)22(15)18-13-6-1-2-7-14(13)19(25)26-18/h1-7,10,15,18H,8-9H2,(H,21,24)/t15-,18?/m0/s1	C19H15BrN2O4	415.237	6	1	75.71	4	4	0	-0.750000000000001	3.52989	2.78	4.09	43.7349	99.9907	2.5737	318.664249678013
Cond-001621	NPD1732	NPD1732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.657342657	[C@@H]12[C@H](C)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(Cl)cc1	InChI=1S/C20H16ClN3O3/c1-10-15-16(18(26)24(17(15)25)12-8-6-11(21)7-9-12)20(23-10)13-4-2-3-5-14(13)22-19(20)27/h2-10,15-16,23H,1H3,(H,22,27)/t10-,15+,16-,20+/m0/s1	C20H16ClN3O3	381.812	6	2	78.51	5	1	0	-1.6426	3.35958	2.89	2.617	47.5829	103.6704	2.5945	321.737757903552
Cond-001622	NPD1733	NPD1733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0152120728	[C@@H]12[C@H](CCSC)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(Cl)cc1	InChI=1S/C22H20ClN3O3S/c1-30-11-10-16-17-18(20(28)26(19(17)27)13-8-6-12(23)7-9-13)22(25-16)14-4-2-3-5-15(14)24-21(22)29/h2-9,16-18,25H,10-11H2,1H3,(H,24,29)/t16-,17+,18-,22+/m0/s1	C22H20ClN3O3S	441.93	6	2	103.81	5	4	0	-1.2774	4.09278	3	3.588	62.7982	120.9954	3.0398	374.838751212885
Cond-001623	NPD1734	NPD1734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.181556196	CCc1cc(=O)oc2c(C)c(OC(C)C(=O)N[C@@H](CCSC)C(=O)O)ccc12	InChI=1S/C20H25NO6S/c1-5-13-10-17(22)27-18-11(2)16(7-6-14(13)18)26-12(3)19(23)21-15(20(24)25)8-9-28-4/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,23)(H,24,25)/t12?,15-/m0/s1	C20H25NO6S	407.481	7	2	127.23	2	10	0	0.148199999999998	3.62429	2.78	3.266	81.1059	113.2095	3.0239	382.655167380069
Cond-001624	NPD1735	NPD1735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3808110781	Cc1c(CC(=O)O)c(=O)oc2cc(OCc3c(Cl)cccc3Cl)ccc12	InChI=1S/C19H14Cl2O5/c1-10-12-6-5-11(25-9-14-15(20)3-2-4-16(14)21)7-17(12)26-19(24)13(10)8-18(22)23/h2-7H,8-9H2,1H3,(H,22,23)	C19H14Cl2O5	393.217	5	1	72.83	3	5	0	1.7686	5.13478	2.78	3.962	49.0032	102.2658	2.6112	328.95593122634
Cond-001625	NPD1736	NPD1736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.9435736677	COc1ccc(cc1)c1c/c(=N\c2ccc(OC)cc2OC)/c2c(C)oc(C)c2c(OC)c1	InChI=1S/C27H27NO5/c1-16-26-23(28-22-12-11-21(30-4)15-24(22)31-5)13-19(18-7-9-20(29-3)10-8-18)14-25(32-6)27(26)17(2)33-16/h7-15H,1-6H3/b28-23+	C27H27NO5	445.507	6	0	62.42	4	6	1	0.598599999999998	5.13452000000001	3.77	5.494	67.6201	129.074	3.3988	419.369056798175
Cond-001626	NPD1737	NPD1737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.4853849321	CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCSC)C(=O)O)ccc12	InChI=1S/C19H23NO6S/c1-4-12-9-17(22)26-18-11(2)15(6-5-13(12)18)25-10-16(21)20-14(19(23)24)7-8-27-3/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,20,21)(H,23,24)/t14-/m0/s1	C19H23NO6S	393.454	7	2	127.23	2	10	0	0.0521999999999987	3.23579	2.67	2.74	76.4464	108.6145	2.883	365.359182754202
Cond-001627	NPD1738	NPD1738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	109.242265657	COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cc4ccccc4cc3)cc2oc1=O	InChI=1S/C24H19ClO5/c1-14-18-10-20(25)22(12-21(18)30-24(27)19(14)11-23(26)28-2)29-13-15-7-8-16-5-3-4-6-17(16)9-15/h3-10,12H,11,13H2,1-2H3	C24H19ClO5	422.858	5	0	61.83	4	6	1	1.2753	5.54027	3.44	6.696	48.1567	118.08	2.9987	371.695410482841
Cond-001628	NPD174	NPD174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7204029603	Cc1c2oc(=O)c3c(CCCC3)c2ccc1OCC(=O)c1cc2c(OCO2)cc1	InChI=1S/C23H20O6/c1-13-19(26-11-18(24)14-6-8-20-21(10-14)28-12-27-20)9-7-16-15-4-2-3-5-17(15)23(25)29-22(13)16/h6-10H,2-5,11-12H2,1H3	C23H20O6	392.401	6	0	71.06	5	4	0	-0.746099999999998	5.55988	3.33	3.793	54.2254	112.1255	2.7715	351.795043487902
Cond-001629	NPD1742	NPD1742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3814805884	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccco3)cc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C25H20O9/c1-4-31-25(28)23-21(14-7-10-17(29-2)20(12-14)30-3)22(26)16-9-8-15(13-19(16)34-23)33-24(27)18-6-5-11-32-18/h5-13H,4H2,1-3H3	C25H20O9	464.421	9	0	110.5	4	9	0	-0.679700000000001	4.85276	3.22	4.385	54.2159	124.2475	3.209	406.304775439719
Cond-001630	NPD1743	NPD1743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6611918821	CCCCCCc1c(C)c2ccc(OC3CCCCC3=O)c(C)c2oc1=O	InChI=1S/C23H30O4/c1-4-5-6-7-10-18-15(2)17-13-14-20(16(3)22(17)27-23(18)25)26-21-12-9-8-11-19(21)24/h13-14,21H,4-12H2,1-3H3	C23H30O4	370.482	4	0	52.6	3	7	1	-1.173	6.37549000000001	3.55	5.59	71.1567	111.53	3.0003	377.73688359078
Cond-001631	NPD1744	NPD1744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.6300499539	COC(=O)c1c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2cccc(OC)c2OC)c(C)[nH]1	InChI=1S/C26H33N3O7/c1-14-18(15(2)27-20(14)26(33)36-7)22(30)19-21(16-10-8-11-17(34-5)24(16)35-6)29(25(32)23(19)31)13-9-12-28(3)4/h8,10-11,21,27,31H,9,12-13H2,1-7H3	C26H33N3O7	499.556	10	2	121.4	3	11	1	-0.718199999999999	2.54623	3.22	3.022	94.6714	136.8743	3.7695	470.176422092164
Cond-001632	NPD1745	NPD1745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3754521341	Clc1ccc(cc1)C(=O)[C@H]1[C@@]2([C@@H]3CCCN3[C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1	InChI=1S/C28H22ClN3O3/c29-17-13-11-16(12-14-17)23(33)24-27(18-6-1-3-8-20(18)30-25(27)34)22-10-5-15-32(22)28(24)19-7-2-4-9-21(19)31-26(28)35/h1-4,6-9,11-14,22,24H,5,10,15H2,(H,30,34)(H,31,35)/t22-,24-,27+,28+/m0/s1	C28H22ClN3O3	483.946	6	2	78.51	7	2	0	-2.1901	5.50228	3.77	4.264	51.221	135.7169	3.37550000000001	416.583341406486
Cond-001633	NPD1746	NPD1746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1421990544	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)C1CCCCC1)ncc2	InChI=1S/C27H32N2O5/c1-31-23-13-18-10-11-28-22(20(18)15-25(23)33-3)12-19-14-24(32-2)26(34-4)16-21(19)29-27(30)17-8-6-5-7-9-17/h10-11,13-17H,5-9,12H2,1-4H3,(H,29,30)	C27H32N2O5	464.553	7	1	78.91	4	9	0	-1.0183	6.48508000000001	3.66	4.522	62.7193	136.1757	3.5846	435.638734407942
Cond-001634	NPD1747	NPD1747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4096335941	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1ccncc1)C2=O)[nH]c1ccccc31	InChI=1S/C20H17N5O2/c26-19-12-25(22-10-13-5-7-21-8-6-13)20(27)18-9-15-14-3-1-2-4-16(14)23-17(15)11-24(18)19/h1-8,10,18,23H,9,11-12H2/b22-10+/t18-/m1/s1	C20H17N5O2	359.381	7	1	81.66	5	2	0	-2.0091	1.91017	2.89	2.534	43.1964	105.249	2.57	306.193525148091
Cond-001635	NPD1748	NPD1748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8316179498	CC(C)[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C21H23NO6/c1-9(2)19(20(24)25)22-18(23)7-15-11(4)14-6-13-10(3)12(5)27-16(13)8-17(14)28-21(15)26/h6,8-9,19H,7H2,1-5H3,(H,22,23)(H,24,25)/t19-/m1/s1	C21H23NO6	385.41	7	2	105.84	3	6	0	1.1309	3.32961	3	2.54	69.3265	107.4155	2.8497	355.549210546735
Cond-001636	NPD1749	NPD1749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.873198847	Cc1cc(OCC(=O)NCCCCCC(=O)O)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C20H25NO6/c1-12-9-15(19-13(2)14(3)20(25)27-16(19)10-12)26-11-17(22)21-8-6-4-5-7-18(23)24/h9-10H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)	C20H25NO6	375.416	7	2	101.93	2	10	0	-0.1366	3.3017	2.89	2.403	69.5145	103.8975	2.8604	364.146143322469
Cond-001637	NPD175	NPD175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	57.9117746533	CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(cccc3)C2=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C36H40O20/c1-15(37)46-13-26-29(48-17(3)39)31(49-18(4)40)34(52-21(7)43)36(55-26)56-30-27(14-47-16(2)38)54-35(33(51-20(6)42)32(30)50-19(5)41)53-25-12-24(44)22-10-8-9-11-23(22)28(25)45/h8-12,26-27,29-36H,13-14H2,1-7H3/t26-,27-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1	C36H40O20	792.691	20	0	255.16	4	20	2	-1.9137	0.745880000000002	3.22	2.071	151.7149	180.475	5.36160000000001	712.41664132962
Cond-001638	NPD1750	NPD1750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7940955717	CCC[C@]12CN3C[C@](C)(CN(C1)C13C(=O)N(Cc3ccccc3)c3c1cccc3)C2=O	InChI=1S/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/t24-,25+,26?	C26H29N3O2	415.527	5	0	43.86	3	4	0	-1.0661	3.52799	3.77	4.372	68.8639	121.752	3.1932	391.792371187758
Cond-001639	NPD1751	NPD1751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.25842806	Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3F)ccc12	InChI=1S/C20H17FO5/c1-12-15-7-6-14(25-11-13-4-2-3-5-17(13)21)10-18(15)26-20(24)16(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)	C20H17FO5	356.344	5	1	72.83	3	6	0	0.8221	4.17447	3	4.109	43.5099	95.7588000000001	2.525	321.897339161647
Cond-001640	NPD1752	NPD1752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.077398106	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(Cl)cc1)C2=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C30H28ClN3O5/c1-37-24-12-18(13-25(38-2)29(24)39-3)28-27-21(20-6-4-5-7-22(20)32-27)14-23-30(36)33(16-26(35)34(23)28)15-17-8-10-19(31)11-9-17/h4-13,23,28,32H,14-16H2,1-3H3/t23-,28?/m1/s1	C30H28ClN3O5	546.013	8	1	84.1	6	6	0	-1.4364	4.19208000000001	3.77	4.233	66.6063	149.702	3.8833	470.212222760142
Cond-001641	NPD1753	NPD1753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0512317419	[C@@H]12C=Cc3c(cccc3)N1[C@@H](C(=O)Nc1c(OC)ccc(OC)c1)[C@H]1C(=O)N(C(=O)[C@@H]21)c1ccc(OC)cc1	InChI=1S/C30H27N3O6/c1-37-19-11-9-18(10-12-19)32-29(35)25-23-14-8-17-6-4-5-7-22(17)33(23)27(26(25)30(32)36)28(34)31-21-16-20(38-2)13-15-24(21)39-3/h4-16,23,25-27H,1-3H3,(H,31,34)/t23-,25-,26-,27+/m0/s1	C30H27N3O6	525.552	9	1	97.41	6	7	0	-1.5644	5.44635000000001	3.77	4.053	68.9524	149.4457	3.77660000000001	472.054922989469
Cond-001642	NPD1754	NPD1754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.493570722	COC(=O)Cc1c(C)c2ccc(OCc3ccc(cc3)C(C)(C)C)cc2oc1=O	InChI=1S/C24H26O5/c1-15-19-11-10-18(12-21(19)29-23(26)20(15)13-22(25)27-5)28-14-16-6-8-17(9-7-16)24(2,3)4/h6-12H,13-14H2,1-5H3	C24H26O5	394.46	5	0	61.83	3	7	1	2.0872	5.03117000000001	3.55	6.73	61.6679	114.264	3.0709	385.013718814808
Cond-001643	NPD1755	NPD1755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.606010704	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1c(Cl)cc(Cl)cc1)C2=O)[nH]c1ccccc31	InChI=1S/C21H16Cl2N4O2/c22-13-6-5-12(16(23)7-13)9-24-27-11-20(28)26-10-18-15(8-19(26)21(27)29)14-3-1-2-4-17(14)25-18/h1-7,9,19,25H,8,10-11H2/b24-9+/t19-/m1/s1	C21H16Cl2N4O2	427.283	6	1	68.77	5	2	0	-0.5205	3.82197	2.89	4.122	54.4276	117.474	2.8559	342.914885106657
Cond-001644	NPD1756	NPD1756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6716122651	COc1cccc(c1)c1coc2c3c(oc(=O)c(Cc4ccccc4)c3C)cc(C)c12	InChI=1S/C27H22O4/c1-16-12-23-25(17(2)21(27(28)31-23)13-18-8-5-4-6-9-18)26-24(16)22(15-30-26)19-10-7-11-20(14-19)29-3/h4-12,14-15H,13H2,1-3H3	C27H22O4	410.461	4	0	48.67	5	4	1	1.5198	6.67199	3.99	7.802	38.7102	125.343	3.0887	373.689152487847
Cond-001645	NPD1757	NPD1757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.6259961728	COc1c2C(C#CCN3c4c(Sc5c3cc(Cl)cc5)cccc4)N(C)CCc2cc2c1OCO2	InChI=1S/C27H23ClN2O3S/c1-29-13-11-17-14-22-26(33-16-32-22)27(31-2)25(17)20(29)7-5-12-30-19-6-3-4-8-23(19)34-24-10-9-18(28)15-21(24)30/h3-4,6,8-10,14-15,20H,11-13,16H2,1-2H3	C27H23ClN2O3S	491.001	5	0	59.47	6	2	1	1.9279	6.66756	3.66	5.237	65.5272	134.032	3.4499	421.792538031652
Cond-001646	NPD1758	NPD1758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7581384133	[C@@H]12[C@@H](N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(Cl)cc1)C(C)C	InChI=1S/C22H20ClN3O3/c1-11(2)18-16-17(20(28)26(19(16)27)13-9-7-12(23)8-10-13)22(25-18)14-5-3-4-6-15(14)24-21(22)29/h3-11,16-18,25H,1-2H3,(H,24,29)/t16-,17-,18-,22+/m0/s1	C22H20ClN3O3	409.865	6	2	78.51	5	2	0	-1.121	3.99568	3.11	3.272	55.952	112.8344	2.8763	356.329727155285
Cond-001647	NPD1759	NPD1759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2917771883	CCc1c(OC(=O)c2ccc(OC)c(OC)c2)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C28H24O8/c1-4-16-11-19-24(14-23(16)36-28(30)18-6-7-21(31-2)25(13-18)32-3)35-15-20(27(19)29)17-5-8-22-26(12-17)34-10-9-33-22/h5-8,11-15H,4,9-10H2,1-3H3	C28H24O8	488.485	8	0	89.52	5	7	0	-0.8395	6.16085	3.66	4.986	59.2417	138.8345	3.4644	437.046043915958
Cond-001648	NPD176	NPD176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.116511072	CC(=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCCC1	InChI=1S/C29H45NO3/c1-20(31)24-9-10-25-23-8-7-21-19-22(33-27(32)13-18-30-16-5-4-6-17-30)11-14-28(21,2)26(23)12-15-29(24,25)3/h7,22-26H,4-6,8-19H2,1-3H3/t22?,23?,24?,25?,26?,28-,29+/m0/s1	C29H45NO3	455.672	4	0	46.61	5	6	1	-0.151	6.10228000000001	4.21	6.12	125.4211	133.635	3.7986	477.815783554387
Cond-001649	NPD1760	NPD1760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1131965663	COc1cc2c(cc1)c(C)c(o2)c1cc(=O)oc2cc3c(CCCC3)cc12	InChI=1S/C23H20O4/c1-13-17-8-7-16(25-2)11-21(17)27-23(13)19-12-22(24)26-20-10-15-6-4-3-5-14(15)9-18(19)20/h7-12H,3-6H2,1-2H3	C23H20O4	360.402	4	0	48.67	5	2	1	0.0592999999999992	5.23169	3.55	5.809	45.3061	108.875	2.6541	323.31459008678
Cond-001650	NPD1761	NPD1761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.368876081	NC(=N)NCCC[C@H](NC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1)C(=O)O	InChI=1S/C21H26N4O6/c22-21(23)24-9-3-6-16(19(27)28)25-18(26)11-30-12-7-8-14-13-4-1-2-5-15(13)20(29)31-17(14)10-12/h7-8,10,16H,1-6,9,11H2,(H,25,26)(H,27,28)(H4,22,23,24)/t16-/m0/s1	C21H26N4O6	430.454	10	6	163.83	3	11	1	-2.8872	1.69664	2.67	-0.304	75.6239	115.9193	3.1491	399.439491171236
Cond-001651	NPD1762	NPD1762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4740776465	COc1cc(/C=C/C(=O)c2ccc(OC(=O)c3cccs3)cc2)cc(OC)c1OC	InChI=1S/C23H20O6S/c1-26-19-13-15(14-20(27-2)22(19)28-3)6-11-18(24)16-7-9-17(10-8-16)29-23(25)21-5-4-12-30-21/h4-14H,1-3H3/b11-6+	C23H20O6S	424.466	6	0	99.3	3	9	0	0.441400000000001	5.17567	3.22	4.894	51.6221	119.2025	3.0662	378.844067545502
Cond-001652	NPD1763	NPD1763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5051461507	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1c(OC)c(OC)ccc1)C2=O)[nH]c1ccccc31	InChI=1S/C23H22N4O4/c1-30-20-9-5-6-14(22(20)31-2)11-24-27-13-21(28)26-12-18-16(10-19(26)23(27)29)15-7-3-4-8-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+/t19-/m1/s1	C23H22N4O4	418.445	8	1	87.23	5	4	0	-2.1127	2.53237	3.11	3.042	57.828	120.558	3.0103	364.665172218647
Cond-001653	NPD1764	NPD1764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.513422319	CCCCCCc1c(C)c2ccc(OCC(=O)c3cc(OC)ccc3)c(C)c2oc1=O	InChI=1S/C26H30O5/c1-5-6-7-8-12-22-17(2)21-13-14-24(18(3)25(21)31-26(22)28)30-16-23(27)19-10-9-11-20(15-19)29-4/h9-11,13-15H,5-8,12,16H2,1-4H3	C26H30O5	422.513	5	0	61.83	3	10	1	-0.440300000000001	6.75529000000001	3.77	6.462	66.4277	126.4585	3.3527	419.605688066541
Cond-001654	NPD1765	NPD1765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4673090667	COc1ccc(CN(CCC(C(C)C)c2ccco2)C(=O)C)cc1OC	InChI=1S/C21H29NO4/c1-15(2)18(19-7-6-12-26-19)10-11-22(16(3)23)14-17-8-9-20(24-4)21(13-17)25-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3	C21H29NO4	359.459	5	0	51.91	2	10	0	-0.880599999999999	4.36959	3.22	4.211	58.5232	104.028	2.9269	355.598133248013
Cond-001655	NPD1766	NPD1766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1282855076	COc1cc(ccc1)C(=O)Oc1ccc2c(=O)c(c3c(OC)cccc3)c(oc2c1)C(F)(F)F	InChI=1S/C25H17F3O6/c1-31-15-7-5-6-14(12-15)24(30)33-16-10-11-18-20(13-16)34-23(25(26,27)28)21(22(18)29)17-8-3-4-9-19(17)32-2/h3-13H,1-2H3	C25H17F3O6	470.394	6	0	71.06	4	7	1	0.3109	6.25896	3.22	6.549	42.7492	121.4035	3.08600000000001	398.136771888954
Cond-001656	NPD1767	NPD1767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3532317826	OC(COc1c(CC=C)cccc1)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C23H28N2O3/c1-2-6-18-7-3-4-9-22(18)28-16-20(26)15-24-12-17-11-19(14-24)21-8-5-10-23(27)25(21)13-17/h2-5,7-10,17,19-20,26H,1,6,11-16H2/t17-,19-,20?/m1/s1	C23H28N2O3	380.48	5	1	53.01	4	7	0	-0.367399999999998	2.90205	3.44	2.553	86.7447	113.3118	2.9896	375.947259904952
Cond-001657	NPD1768	NPD1768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6167816206	COC(=O)Cc1c(C)c2ccc(OCc3ccc(cc3)C(C)(C)C)c(C)c2oc1=O	InChI=1S/C25H28O5/c1-15-19-11-12-21(29-14-17-7-9-18(10-8-17)25(3,4)5)16(2)23(19)30-24(27)20(15)13-22(26)28-6/h7-12H,13-14H2,1-6H3	C25H28O5	408.487	5	0	61.83	3	7	1	2.7292	5.61469000000001	3.66	6.842	67.17	120.231	3.2118	402.309703440674
Cond-001658	NPD1769	NPD1769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.385001095	COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)cc2oc1=O	InChI=1S/C20H16BrFO5/c1-11-15-6-5-14(26-10-12-3-4-13(21)7-17(12)22)8-18(15)27-20(24)16(11)9-19(23)25-2/h3-8H,9-10H2,1-2H3	C20H16BrFO5	435.24	5	0	61.83	3	6	0	1.8995	4.63527	2.89	4.484	52.0127	103.222	2.7	341.180958139213
Cond-001659	NPD177	NPD177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.1691078562	CC1C=C(C)C2[C@H](C)C1(COC(=O)C)COC2c1ccc2OCOc2c1	InChI=1S/C21H26O5/c1-12-7-13(2)21(9-23-15(4)22)10-24-20(19(12)14(21)3)16-5-6-17-18(8-16)26-11-25-17/h5-8,13-14,19-20H,9-11H2,1-4H3/t13?,14-,19?,20?,21?/m0/s1	C21H26O5	358.428	5	0	53.99	4	4	0	0.211699999999999	4.20417000000001	3.22	3.615	71.4942	100.155	2.7116	342.215141039608
Cond-001660	NPD1770	NPD1770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8962536023	CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12	InChI=1S/C18H19NO8/c1-2-10-7-17(23)27-14-8-11(3-4-12(10)14)26-9-15(20)19-13(18(24)25)5-6-16(21)22/h3-4,7-8,13H,2,5-6,9H2,1H3,(H,19,20)(H,21,22)(H,24,25)/t13-/m0/s1	C18H19NO8	377.345	9	3	139.23	2	10	0	-1.4993	1.76397	2.45	1.132	64.5104	96.5183000000001	2.653	344.498168771057
Cond-001661	NPD1771	NPD1771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.682997118	CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O	InChI=1S/C20H25NO6/c1-6-10(2)17(19(23)24)21-16(22)9-26-15-8-7-14-11(3)12(4)20(25)27-18(14)13(15)5/h7-8,10,17H,6,9H2,1-5H3,(H,21,22)(H,23,24)/t10-,17-/m0/s1	C20H25NO6	375.416	7	2	101.93	2	8	0	0.420600000000001	3.52879	2.89	2.71	72.1867	105.0705	2.8604	364.146143322469
Cond-001662	NPD1772	NPD1772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.1829380668	Cc1cc2c(c(C)c1)c(COc1ccc3c(=O)c(coc3c1)c1ccc3OCCOc3c1)cc(=O)o2	InChI=1S/C29H22O7/c1-16-9-17(2)28-19(12-27(30)36-26(28)10-16)14-34-20-4-5-21-24(13-20)35-15-22(29(21)31)18-3-6-23-25(11-18)33-8-7-32-23/h3-6,9-13,15H,7-8,14H2,1-2H3	C29H22O7	482.481	7	0	80.29	6	4	1	0.264199999999999	6.43778	3.88	5.524	60.6185	139.2675	3.395	430.558884439663
Cond-001663	NPD1773	NPD1773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.757925072	COC(=O)[C@H](CCSC)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C18H25N3O4S/c1-25-17(23)14(6-7-26-2)19-18(24)20-9-12-8-13(11-20)15-4-3-5-16(22)21(15)10-12/h3-5,12-14H,6-11H2,1-2H3,(H,19,24)/t12-,13+,14-/m0/s1	C18H25N3O4S	379.474	7	1	104.25	3	8	0	-1.1248	1.31097	2.56	0.617	98.3067	102.1437	2.8017	356.292723844346
Cond-001664	NPD1774	NPD1774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6964070412	COc1c(OC)cc(cc1)c1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCO	InChI=1S/C19H21N5O5/c1-21-16-15(17(26)22(2)19(21)27)24-10-12(23(7-8-25)18(24)20-16)11-5-6-13(28-3)14(9-11)29-4/h5-6,9-10,25H,7-8H2,1-4H3	C19H21N5O5	399.401	10	1	100.37	4	5	0	-1.5609	1.39197	2.45	1.731	67.5821	108.4728	2.7998	343.797596726308
Cond-001665	NPD1775	NPD1775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.5768025078	COc1cc2c(cc1OC)c(ncc2)/C(=N\OC(=O)c1cc(C)ccc1)/c1cc(OC)c(OC)cc1	InChI=1S/C28H26N2O6/c1-17-7-6-8-20(13-17)28(31)36-30-26(19-9-10-22(32-2)23(15-19)33-3)27-21-16-25(35-5)24(34-4)14-18(21)11-12-29-27/h6-16H,1-5H3/b30-26-	C28H26N2O6	486.516	8	0	88.47	4	9	1	0.238099999999999	5.0247	3.66	6.436	47.6601	140.709	3.6122	440.279110931169
Cond-001666	NPD1776	NPD1776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2953942609	COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc12	InChI=1S/C23H24O9/c1-13-20(23(25)30-9-8-26-2)16-12-15(6-7-17(16)31-13)32-22(24)14-10-18(27-3)21(29-5)19(11-14)28-4/h6-7,10-12H,8-9H2,1-5H3	C23H24O9	444.431	9	0	102.66	3	11	1	-0.0808000000000004	3.959	3	2.858	58.6226	120.5805	3.1648	391.978640991185
Cond-001667	NPD1777	NPD1777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4395948879	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCN(CCN6C(=O)C7C8CC(C=C8)C7C6=O)CC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C52H64N4O14/c1-24-11-10-12-25(2)49(64)53-39-40(55-19-16-54(17-20-55)18-21-56-50(65)34-31-13-14-32(23-31)35(34)51(56)66)45(62)36-37(44(39)61)43(60)29(6)47-38(36)48(63)52(8,70-47)68-22-15-33(67-9)26(3)46(69-30(7)57)28(5)42(59)27(4)41(24)58/h10-15,22,24,26-28,31-35,41-42,46,58-60H,16-21,23H2,1-9H3,(H,53,64)/b11-10-,22-15-,25-12-/t24-,26+,27+,28-,31?,32?,33-,34?,35?,41-,42-,46+,52-/m0/s1	C52H64N4O14	969.083	18	4	238.85	7	7	1	-2.3337	3.52266000000001	5.2	2.174	232.8161	253.752599999999	7.14260000000002	925.699323767987
Cond-001668	NPD1779	NPD1779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1273209549	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C36H42N2O9/c1-34-13-11-22(39)16-21(34)7-8-24-25-12-14-36(46,35(25,2)17-28(40)32(24)34)29(41)19-47-31(43)10-9-30(42)38-27(33(44)45)15-20-18-37-26-6-4-3-5-23(20)26/h3-6,16,18,24-25,27,32,37,46H,7-15,17,19H2,1-2H3,(H,38,42)(H,44,45)/t24?,25?,27?,32?,34-,35-,36-/m0/s1	C36H42N2O9	646.727	11	4	179.93	6	12	2	-1.9636	3.69767000000001	4.21	1.383	134.4572	173.2653	4.7843	607.377668039784
Cond-001669	NPD178	NPD178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6790606654	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)Oc1ccccc1C	InChI=1S/C35H52O3/c1-5-6-7-8-9-10-14-26-17-19-30-29-18-16-27-24-28(37-33(36)38-32-15-12-11-13-25(32)2)20-22-35(27,4)31(29)21-23-34(26,30)3/h11-13,15-16,26,28-31H,5-10,14,17-24H2,1-4H3/t26?,28-,29?,30?,31?,34+,35-/m0/s1	C35H52O3	520.786	3	0	35.53	5	11	2	0.494400000000002	10.0079	4.98	14.206	118.1868	159.076	4.4582	554.422013699819
Cond-001670	NPD1781	NPD1781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.4345309863	CC1N2C(Cc3c1[nH]c1c3cccc1)C(=O)N(C2=S)c1ccc(C)cc1	InChI=1S/C21H19N3OS/c1-12-7-9-14(10-8-12)24-20(25)18-11-16-15-5-3-4-6-17(15)22-19(16)13(2)23(18)21(24)26/h3-10,13,18,22H,11H2,1-2H3	C21H19N3OS	361.46	4	1	71.43	5	1	1	0.2757	4.15849	3.22	5.6	49.1619	110.573	2.6591	313.851245415463
Cond-001671	NPD1783	NPD1783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.064292779	COC(=O)Cc1c(C)c2ccc(OCC(=O)c3cc(OC)ccc3)cc2oc1=O	InChI=1S/C22H20O7/c1-13-17-8-7-16(10-20(17)29-22(25)18(13)11-21(24)27-3)28-12-19(23)14-5-4-6-15(9-14)26-2/h4-10H,11-12H2,1-3H3	C22H20O7	396.39	7	0	88.13	3	8	0	0.00199999999999925	3.76447	3.11	3.132	55.0527	108.3655	2.8635	365.365744263396
Cond-001672	NPD1784	NPD1784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.9225946467	CCCc1c(OC(=O)CC)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C24H24O6/c1-4-6-15-11-17-20(13-19(15)30-22(25)5-2)29-14(3)23(24(17)26)16-7-8-18-21(12-16)28-10-9-27-18/h7-8,11-13H,4-6,9-10H2,1-3H3	C24H24O6	408.444	6	0	71.06	4	6	0	-0.6173	6.28555	3.44	4.819	64.2017	119.7115	3.021	381.447486814569
Cond-001673	NPD1786	NPD1786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.1412749799	Cc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C	InChI=1S/C22H22O5/c1-13-6-4-5-7-16(13)12-26-19-10-8-17-14(2)18(9-11-20(23)24)22(25)27-21(17)15(19)3/h4-8,10H,9,11-12H2,1-3H3,(H,23,24)	C22H22O5	366.407	5	1	72.83	3	6	1	1.6264	4.82962000000001	3.33	5.007	53.6416	106.4698	2.7891	350.421749563074
Cond-001674	NPD1787	NPD1787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3882324572	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCN(CC5)c5cc(C)nc6ccccc56)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C51H60N4O12/c1-25-14-13-15-26(2)50(63)53-40-41(55-21-19-54(20-22-55)35-24-27(3)52-34-17-12-11-16-33(34)35)46(61)37-38(45(40)60)44(59)31(7)48-39(37)49(62)51(9,67-48)65-23-18-36(64-10)28(4)47(66-32(8)56)30(6)43(58)29(5)42(25)57/h11-18,23-25,28-30,36,42-43,47,57-59H,19-22H2,1-10H3,(H,53,63)/b14-13-,23-18-,26-15-/t25-,28+,29+,30-,36-,42-,43-,47+,51-/m0/s1	C51H60N4O12	921.042	16	4	214.36	6	5	2	-0.787700000000001	6.50247000000001	5.31	5.306	188.7084	252.206599999999	6.90690000000002	876.106427040198
Cond-001675	NPD1788	NPD1788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2117193152	CCc1c(OC(=O)c2ccccc2OC)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C27H22O7/c1-3-16-12-19-24(14-23(16)34-27(29)18-6-4-5-7-21(18)30-2)33-15-20(26(19)28)17-8-9-22-25(13-17)32-11-10-31-22/h4-9,12-15H,3,10-11H2,1-2H3	C27H22O7	458.459	7	0	80.29	5	6	1	-0.7877	6.15225	3.66	6.195	51.9259	132.2825	3.2648	410.95983258953
Cond-001676	NPD1789	NPD1789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4894467896	COC(=O)c1cc2c(nc3n(cccc3C)c2=O)n(CCc2ccc(OC)cc2)c1=N	InChI=1S/C23H22N4O4/c1-14-5-4-11-27-20(14)25-21-18(22(27)28)13-17(23(29)31-3)19(24)26(21)12-10-15-6-8-16(30-2)9-7-15/h4-9,11,13,24H,10,12H2,1-3H3	C23H22N4O4	418.445	8	1	95.29	4	6	0	0.564600000000001	2.49452	3.11	2.782	91.2056	117.5967	3.0759	396.185172218647
Cond-001677	NPD179	NPD179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3041373854	COc1ccc(OC)c(c1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cnccc2)/C1=O	InChI=1S/C23H25N5O5/c1-32-16-8-9-20(33-2)19(12-16)28-22(30)17(21(29)26-23(28)31)14-25-27-11-4-3-7-18(27)15-6-5-10-24-13-15/h5-6,8-10,12-14,18,25H,3-4,7,11H2,1-2H3,(H,26,29,31)/b17-14-	C23H25N5O5	451.475	10	2	113.1	4	6	0	-2.5371	2.64337	2.89	1.963	65.8403	121.9434	3.2774	407.708617828175
Cond-001678	NPD1790	NPD1790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4488530388	[C@H]1(N2C=Cc3c(cccc3)[C@@H]2[C@H]2C(=O)N(C(=O)[C@@H]12)c1cc2c(OCO2)cc1)C(=O)c1ccc(OC(=O)C)cc1	InChI=1S/C30H22N2O7/c1-16(33)39-20-9-6-18(7-10-20)28(34)27-25-24(26-21-5-3-2-4-17(21)12-13-31(26)27)29(35)32(30(25)36)19-8-11-22-23(14-19)38-15-37-22/h2-14,24-27H,15H2,1H3/t24-,25+,26+,27+/m0/s1	C30H22N2O7	522.505	9	0	102.45	7	5	1	-1.9429	5.03236000000001	3.77	5.316	63.3394	144.1785	3.58390000000001	454.855472080263
Cond-001679	NPD1792	NPD1792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7735712563	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CCC(=O)O)C(=O)O	InChI=1S/C30H41NO11/c1-28-11-9-17(32)13-16(28)3-4-18-19-10-12-30(41,29(19,2)14-21(33)26(18)28)22(34)15-42-25(38)8-6-23(35)31-20(27(39)40)5-7-24(36)37/h13,18-21,26,33,41H,3-12,14-15H2,1-2H3,(H,31,35)(H,36,37)(H,39,40)/t18?,19?,20?,21?,26?,28-,29-,30-/m0/s1	C30H41NO11	591.647	12	5	204.6	4	13	2	-2.2075	1.70698	3.44	-0.593	141.8559	147.6589	4.3457	567.244205682341
Cond-001680	NPD1793	NPD1793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.4410757704	COC(=O)Cc1c(C)c2ccc(OCc3cc4c(OCO4)cc3Cl)cc2oc1=O	InChI=1S/C21H17ClO7/c1-11-14-4-3-13(6-17(14)29-21(24)15(11)7-20(23)25-2)26-9-12-5-18-19(8-16(12)22)28-10-27-18/h3-6,8H,7,9-10H2,1-2H3	C21H17ClO7	416.808	7	0	80.29	4	6	0	0.9726	4.61656	2.89	3.226	55.6288	108.758	2.7794	353.560827407963
Cond-001681	NPD1794	NPD1794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1859986273	CCCCc1cc(=O)oc2cc(C)cc(OCc3ccc(OC)cc3)c12	InChI=1S/C22H24O4/c1-4-5-6-17-13-21(23)26-20-12-15(2)11-19(22(17)20)25-14-16-7-9-18(24-3)10-8-16/h7-13H,4-6,14H2,1-3H3	C22H24O4	352.424	4	0	44.76	3	7	1	0.0597999999999994	5.00729	3.44	5.869	51.0516	104.031	2.7734	344.267981563313
Cond-001682	NPD1795	NPD1795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8622413962	COc1cccc(COc2c3oc(=O)c4c(CCC4)c3ccc2OCc2cccc(OC)c2)c1	InChI=1S/C28H26O6/c1-30-20-8-3-6-18(14-20)16-32-25-13-12-23-22-10-5-11-24(22)28(29)34-26(23)27(25)33-17-19-7-4-9-21(15-19)31-2/h3-4,6-9,12-15H,5,10-11,16-17H2,1-2H3	C28H26O6	458.502	6	0	63.22	5	8	1	-0.566299999999998	5.59127	3.88	5.531	54.1067	130.23	3.39	422.102049215636
Cond-001683	NPD1796	NPD1796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1022253986	COc1cccc(C2OC(=O)c3c(cccc3)N2C(=O)C)c1OC(=O)C	InChI=1S/C19H17NO6/c1-11(21)20-15-9-5-4-7-13(15)19(23)26-18(20)14-8-6-10-16(24-3)17(14)25-12(2)22/h4-10,18H,1-3H3	C19H17NO6	355.341	7	0	82.14	3	5	0	-0.7168	3.55248	2.78	3.525	41.367	97.056	2.5249	318.320782594201
Cond-001684	NPD1797	NPD1797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.71037182	O=C(Oc1ccc2c(=O)c(coc2c1)c1ccccc1)N1CCOCC1	InChI=1S/C20H17NO5/c22-19-16-7-6-15(26-20(23)21-8-10-24-11-9-21)12-18(16)25-13-17(19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2	C20H17NO5	351.353	6	0	65.07	4	4	0	-0.8584	3.55066	3	4.615	44.566	100.1495	2.4985	314.470081818707
Cond-001685	NPD1798	NPD1798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6803134044	Cn1cc(C2C(N(C=CN2C(=O)C)C(=O)C)c2cn(C)c3c2cccc3)c2c1cccc2	InChI=1S/C26H26N4O2/c1-17(31)29-13-14-30(18(2)32)26(22-16-28(4)24-12-8-6-10-20(22)24)25(29)21-15-27(3)23-11-7-5-9-19(21)23/h5-16,25-26H,1-4H3	C26H26N4O2	426.51	6	0	50.48	5	4	0	-1.6938	4.92246000000001	3.66	3.97	58.519	128.999	3.27260000000001	385.436213994325
Cond-001686	NPD18	NPD18	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.904109589	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)c1ccccc1	InChI=1S/C34H50OS/c1-4-5-6-7-8-12-15-26-17-19-30-29-18-16-27-24-28(36-32(35)25-13-10-9-11-14-25)20-22-34(27,3)31(29)21-23-33(26,30)2/h9-11,13-14,16,26,28-31H,4-8,12,15,17-24H2,1-3H3/t26?,28-,29?,30?,31?,33+,34-/m0/s1	C34H50OS	506.825	1	0	42.37	5	10	1	-0.1402	10.15278	4.98	14.358	117.7767	158.089	4.3634	538.05459973043
Cond-001687	NPD180	NPD180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1467710372	COc1cc(cc(OC)c1OC)C1CC(=Nc2c(S1)cccc2)c1c(O)cc(C)oc1=O	InChI=1S/C24H23NO6S/c1-13-9-17(26)22(24(27)31-13)16-12-21(32-20-8-6-5-7-15(20)25-16)14-10-18(28-2)23(30-4)19(11-14)29-3/h5-11,21,26H,12H2,1-4H3	C24H23NO6S	453.508	7	1	111.88	4	5	0	0.392499999999999	4.93756	3.22	3.816	76.6656	125.0938	3.2413	408.316812379535
Cond-001688	NPD1800	NPD1800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.4878225223	COc1cc(Oc2c(oc3cc(O)ccc3c2=O)C(F)(F)F)ccc1	InChI=1S/C17H11F3O5/c1-23-10-3-2-4-11(8-10)24-15-14(22)12-6-5-9(21)7-13(12)25-16(15)17(18,19)20/h2-8,21H,1H3	C17H11F3O5	352.261	5	1	64.99	3	4	0	-0.4118	4.72496	2.45	4.207	33.8732	86.6418	2.1807	284.780961685459
Cond-001689	NPD1801	NPD1801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.048466864	COc1ccc(CCn2c(=N)c(cc3c2nc2ccccn2c3=O)C(=O)NCCc2ccccc2)cc1	InChI=1S/C29H27N5O3/c1-37-22-12-10-21(11-13-22)15-18-34-26(30)23(28(35)31-16-14-20-7-3-2-4-8-20)19-24-27(34)32-25-9-5-6-17-33(25)29(24)36/h2-13,17,19,30H,14-16,18H2,1H3,(H,31,35)	C29H27N5O3	493.556	8	2	98.09	5	9	1	-0.367300000000001	3.29032000000001	3.77	5.758	91.4656	144.1194	3.7248	471.001778678253
Cond-001690	NPD1803	NPD1803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2281167109	[C@@H]12[C@H](C)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1cc(Br)ccc1	InChI=1S/C20H16BrN3O3/c1-10-15-16(18(26)24(17(15)25)12-6-4-5-11(21)9-12)20(23-10)13-7-2-3-8-14(13)22-19(20)27/h2-10,15-16,23H,1H3,(H,22,27)/t10-,15+,16-,20+/m0/s1	C20H16BrN3O3	426.263	6	2	78.51	5	1	0	-1.4981	3.46868	2.89	2.955	50.5664	106.3604	2.6471	325.810309110685
Cond-001691	NPD1804	NPD1804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.065830721	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NC(CS)C(=O)O	InChI=1S/C26H37NO6S/c1-25-11-9-16(28)13-15(25)3-4-17-18-5-6-21(26(18,2)12-10-19(17)25)33-23(30)8-7-22(29)27-20(14-34)24(31)32/h13,17-21,34H,3-12,14H2,1-2H3,(H,27,29)(H,31,32)/t17?,18?,19?,20?,21?,25-,26-/m0/s1	C26H37NO6S	491.64	7	2	148.57	4	9	0	0.191199999999997	3.86958	3.44	3.692	126.151	132.2165	3.7381	477.89107513527
Cond-001692	NPD1805	NPD1805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.9471624266	COc1ccc(cc1)c1c/c(=N\c2ccc(C)cc2)/c2c(C)oc(C)c2c(OC)c1	InChI=1S/C26H25NO3/c1-16-6-10-21(11-7-16)27-23-14-20(19-8-12-22(28-4)13-9-19)15-24(29-5)26-18(3)30-17(2)25(23)26/h6-15H,1-5H3/b27-23+	C26H25NO3	399.482	4	0	43.96	4	4	1	1.3442	5.14534000000001	3.88	6.916	58.4906	119.61	3.1405	384.492618771186
Cond-001693	NPD1806	NPD1806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8921556547	COc1ccc(cc1)C(CCN(Cc1ccc(OC(C)C)cc1)C(=O)c1ccco1)C(C)C	InChI=1S/C28H35NO4/c1-20(2)26(23-10-14-24(31-5)15-11-23)16-17-29(28(30)27-7-6-18-32-27)19-22-8-12-25(13-9-22)33-21(3)4/h6-15,18,20-21,26H,16-17,19H2,1-5H3	C28H35NO4	449.582	5	0	51.91	3	12	2	-0.668799999999999	6.17659000000001	3.99	7.632	63.3675	133.11	3.6756	445.504190825881
Cond-001694	NPD1807	NPD1807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1899109792	COc1ccc(CCn2c(=N)c(cc3c2nc2ccccn2c3=O)C(=O)NCCc2cc(OC)c(OC)cc2)cc1	InChI=1S/C31H31N5O5/c1-39-22-10-7-20(8-11-22)14-17-36-28(32)23(19-24-29(36)34-27-6-4-5-16-35(27)31(24)38)30(37)33-15-13-21-9-12-25(40-2)26(18-21)41-3/h4-12,16,18-19,32H,13-15,17H2,1-3H3,(H,33,37)	C31H31N5O5	553.608	10	2	116.55	5	11	1	-0.4709	3.30752000000001	3.77	3.815	106.0972	157.2234	4.124	523.174201331109
Cond-001695	NPD1808	NPD1808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1617949774	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1cc(OC)c(OC)cc1)C2=O)[nH]c1ccccc31	InChI=1S/C23H22N4O4/c1-30-20-8-7-14(9-21(20)31-2)11-24-27-13-22(28)26-12-18-16(10-19(26)23(27)29)15-5-3-4-6-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+/t19-/m1/s1	C23H22N4O4	418.445	8	1	87.23	5	4	0	-2.1127	2.53237	3.11	3.042	57.828	120.558	3.0103	364.665172218647
Cond-001696	NPD1809	NPD1809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3521638987	COc1cc2c(cc1OC)[C@H](C)N(CC2)C(=O)CSc1nc(O)cc(=O)n1c1ccc(Cl)cc1	InChI=1S/C24H24ClN3O5S/c1-14-18-11-20(33-3)19(32-2)10-15(18)8-9-27(14)23(31)13-34-24-26-21(29)12-22(30)28(24)17-6-4-16(25)5-7-17/h4-7,10-12,14,29H,8-9,13H2,1-3H3/t14-/m0/s1	C24H24ClN3O5S	501.982	8	1	116.97	4	7	0	0.835199999999999	4.58206	3	3.162	82.7081	136.3548	3.5046	436.731173865741
Cond-001697	NPD181	NPD181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.013961931	COc1ccc(cc1)N1C(=O)NC(=O)C(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)(Cc2ccc(OC)c(OC)c2)C1=O	InChI=1S/C32H34N4O7/c1-41-24-10-8-23(9-11-24)36-30(39)32(29(38)33-31(36)40,15-20-7-12-26(42-2)27(14-20)43-3)19-34-16-21-13-22(18-34)25-5-4-6-28(37)35(25)17-21/h4-12,14,21-22H,13,15-19H2,1-3H3,(H,33,38,40)/t21-,22-,32?/m1/s1	C32H34N4O7	586.635	11	1	117.72	6	8	0	-1.6866	3.37166	3.77	2.002	108.5436	159.8017	4.2599	539.97033785073
Cond-001698	NPD1810	NPD1810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.3686890732	COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1	InChI=1S/C25H18O7/c1-15-23(31-18-10-8-17(9-11-18)24(27)29-2)22(26)20-13-12-19(14-21(20)30-15)32-25(28)16-6-4-3-5-7-16/h3-14H,1-2H3	C25H18O7	430.406	7	0	88.13	4	7	1	-0.638200000000001	5.97495	3.44	6.996	41.5708	122.845	3.0486	386.087863337796
Cond-001699	NPD1811	NPD1811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4252964819	COc1cc2c(cc1OC)C1C/C(=N\NS(=O)(=O)c3ccc(C)cc3)/C3=C(CCCC3=O)N1CC2	InChI=1S/C26H29N3O5S/c1-16-7-9-18(10-8-16)35(31,32)28-27-20-15-22-19-14-25(34-3)24(33-2)13-17(19)11-12-29(22)21-5-4-6-23(30)26(20)21/h7-10,13-14,22,28H,4-6,11-12,15H2,1-3H3/b27-20+	C26H29N3O5S	495.591	8	1	105.68	5	5	0	-0.674900000000002	3.70919000000001	3.33	4.629	83.5723	128.9277	3.5984	446.392075347041
Cond-001700	NPD1812	NPD1812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9015589764	CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(OC)c3)cc2oc1=O	InChI=1S/C23H24O6/c1-4-27-22(24)11-10-20-15(2)19-9-8-18(13-21(19)29-23(20)25)28-14-16-6-5-7-17(12-16)26-3/h5-9,12-13H,4,10-11,14H2,1-3H3	C23H24O6	396.433	6	0	71.06	3	9	0	0.791999999999999	4.52247000000001	3.33	4.239	59.0161	111.35	2.9887	376.507960889502
Cond-001701	NPD1813	NPD1813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.014836795	Cc1cc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c(C)cc1	InChI=1S/C22H22O5/c1-12-5-6-13(2)16(9-12)11-26-19-8-7-17-14(3)18(10-20(23)24)22(25)27-21(17)15(19)4/h5-9H,10-11H2,1-4H3,(H,23,24)	C22H22O5	366.407	5	1	72.83	3	5	1	2.206	4.46754	3.33	5.161	54.2783	105.4928	2.7891	350.421749563074
Cond-001702	NPD1814	NPD1814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.878550844	COc1ccc(NC(=O)NC[C@]2(C)CCC[C@@]3(C)C2CCc2cc(ccc32)C(C)C)c(OC)c1	InChI=1S/C29H40N2O3/c1-19(2)20-8-11-23-21(16-20)9-13-26-28(3,14-7-15-29(23,26)4)18-30-27(32)31-24-12-10-22(33-5)17-25(24)34-6/h8,10-12,16-17,19,26H,7,9,13-15,18H2,1-6H3,(H2,30,31,32)/t26?,28-,29+/m0/s1	C29H40N2O3	464.639	5	2	59.59	4	8	1	0.421499999999999	6.85728000000001	4.1	9.546	85.5387	141.3164	3.835	468.823167660153
Cond-001703	NPD1815	NPD1815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2004940305	CCc1cc(=O)oc2c(C)c(OC(C)C(=O)NCCCCCC(=O)O)ccc12	InChI=1S/C21H27NO6/c1-4-15-12-19(25)28-20-13(2)17(10-9-16(15)20)27-14(3)21(26)22-11-7-5-6-8-18(23)24/h9-10,12,14H,4-8,11H2,1-3H3,(H,22,26)(H,23,24)	C21H27NO6	389.442	7	2	101.93	2	11	1	-0.928800000000001	4.06299000000001	3	3.001	74.6653	109.7575	3.0013	381.442127948335
Cond-001704	NPD1816	NPD1816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.937377691	Cc1c(c(=O)c2ccc(OCc3ccc(Br)cc3)cc2o1)c1ccc2OCCOc2c1	InChI=1S/C25H19BrO5/c1-15-24(17-4-9-21-23(12-17)29-11-10-28-21)25(27)20-8-7-19(13-22(20)31-15)30-14-16-2-5-18(26)6-3-16/h2-9,12-13H,10-11,14H2,1H3	C25H19BrO5	479.319	5	0	53.99	5	4	1	0.3083	5.75257	3.55	5.804	48.7168	123.165	3.0836	380.707487615041
Cond-001705	NPD1818	NPD1818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2435495539	CCOC(=O)COc1ccc2c(=O)c(c3ccc4OCCOc4c3)c(oc2c1)C(=O)OCC	InChI=1S/C24H22O9/c1-3-28-20(25)13-32-15-6-7-16-18(12-15)33-23(24(27)29-4-2)21(22(16)26)14-5-8-17-19(11-14)31-10-9-30-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3	C24H22O9	454.426	9	0	106.59	4	9	0	-0.7102	4.00196	3.11	3.357	66.7994	120.8165	3.1541	405.181708215452
Cond-001706	NPD1819	NPD1819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.438389197	CCc1c(OC(C)C(=O)OC)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C24H24O7/c1-4-15-10-17-21(12-20(15)31-14(2)24(26)27-3)30-13-18(23(17)25)16-6-7-19-22(11-16)29-9-5-8-28-19/h6-7,10-14H,4-5,8-9H2,1-3H3	C24H24O7	424.443	7	0	80.29	4	6	0	-1.1815	5.25485000000001	3.33	4.127	64.059	121.053	3.0797	390.23771351513
Cond-001707	NPD182	NPD182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8424037081	CCOC(=O)[C@]1(O[C@]21CCC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(=O)C)C(=O)N	InChI=1S/C26H37NO6/c1-5-31-22(30)26(21(27)29)25(33-26)13-10-20-18-7-6-16-14-17(32-15(2)28)8-11-23(16,3)19(18)9-12-24(20,25)4/h6,17-20H,5,7-14H2,1-4H3,(H2,27,29)/t17?,18?,19?,20?,23-,24-,25+,26+/m0/s1	C26H37NO6	459.575	7	2	108.22	5	6	0	-0.0583999999999979	3.59718	3.55	3.421	116.0837	122.6044	3.509	449.66205107767
Cond-001708	NPD1820	NPD1820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.71909001	COc1cccc(c1)c1coc2c1cc1c(oc(=O)c(CC(=O)O)c1C)c2	InChI=1S/C21H16O6/c1-11-14-7-16-17(12-4-3-5-13(6-12)25-2)10-26-18(16)9-19(14)27-21(24)15(11)8-20(22)23/h3-7,9-10H,8H2,1-2H3,(H,22,23)	C21H16O6	364.348	6	1	85.97	4	4	0	0.216599999999999	5.05868	3.11	3.309	40.3756	104.8718	2.5553	316.023074236168
Cond-001709	NPD1821	NPD1821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8731613214	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(NCC5CCCO5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C42H54N2O13/c1-19-12-10-13-20(2)41(52)44-32-31(43-18-26-14-11-16-54-26)36(49)28-29(37(32)50)35(48)24(6)39-30(28)40(51)42(8,57-39)55-17-15-27(53-9)21(3)38(56-25(7)45)23(5)34(47)22(4)33(19)46/h10,12-13,15,17,19,21-23,26-27,33-34,38,43,46-48H,11,14,16,18H2,1-9H3,(H,44,52)/b12-10-,17-15-,20-13-/t19-,21+,22+,23-,26?,27-,33-,34-,38+,42-/m0/s1	C42H54N2O13	794.884	15	5	216.25	4	6	1	-2.4777	3.94037000000001	4.43	2.701	181.8957	208.5493	5.93010000000002	766.934482597226
Cond-001710	NPD1822	NPD1822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2527128044	COc1cc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)ccc1	InChI=1S/C21H14O7/c1-24-13-4-2-5-14(10-13)27-19-12-26-18-11-15(7-8-16(18)20(19)22)28-21(23)17-6-3-9-25-17/h2-12H,1H3	C21H14O7	378.332	7	0	84.2	4	6	0	-1.369	5.39985	3	4.735	32.6988	105.7065	2.571	322.176842235929
Cond-001711	NPD1823	NPD1823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3495265541	[C@@H]1(Cc2c([nH]c3c2cccc3)C(N1C(=O)CC1CCCCC1)c1ccc(cc1)C(C)C)C(=O)OC	InChI=1S/C30H36N2O3/c1-19(2)21-13-15-22(16-14-21)29-28-24(23-11-7-8-12-25(23)31-28)18-26(30(34)35-3)32(29)27(33)17-20-9-5-4-6-10-20/h7-8,11-16,19-20,26,29,31H,4-6,9-10,17-18H2,1-3H3/t26-,29?/m1/s1	C30H36N2O3	472.618	5	1	62.4	5	7	1	-1.2403	6.07678000000001	4.21	8.851	73.5742	141.23	3.7813	457.58977618362
Cond-001712	NPD1824	NPD1824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0720333753	CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2cc(OC)c(OC)cc2)c1=N	InChI=1S/C23H23N5O4/c1-25-22(29)15-13-16-21(26-19-6-4-5-10-27(19)23(16)30)28(20(15)24)11-9-14-7-8-17(31-2)18(12-14)32-3/h4-8,10,12-13,24H,9,11H2,1-3H3,(H,25,29)	C23H23N5O4	433.46	9	2	107.32	4	7	0	-0.583999999999999	1.68602	3	1.626	95.3141	121.5824	3.1757	407.181932426813
Cond-001713	NPD1825	NPD1825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	87.928623101	COc1ccc(cc1OC)c1c(C)oc2cc(OCC(=O)OC(C)C)ccc2c1=O	InChI=1S/C23H24O7/c1-13(2)29-21(24)12-28-16-7-8-17-19(11-16)30-14(3)22(23(17)25)15-6-9-18(26-4)20(10-15)27-5/h6-11,13H,12H2,1-5H3	C23H24O7	412.432	7	0	80.29	3	8	0	-0.651399999999999	5.09326000000001	3.22	3.891	63.4235	116.5665	3.0474	385.298187590063
Cond-001714	NPD1826	NPD1826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.068965517	CSCCC(NC(=O)C(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)O	InChI=1S/C33H48N2O10S/c1-18(29(41)35-23(30(42)43)11-14-46-4)34-26(39)7-8-27(40)45-17-25(38)33(44)13-10-22-21-6-5-19-15-20(36)9-12-31(19,2)28(21)24(37)16-32(22,33)3/h15,18,21-24,28,37,44H,5-14,16-17H2,1-4H3,(H,34,39)(H,35,41)(H,42,43)/t18?,21?,22?,23?,24?,28?,31-,32-,33-/m0/s1	C33H48N2O10S	664.807	12	5	221.7	4	16	2	-2.0386	2.09998	3.66	0.601	164.9528	171.3928	4.973	639.847717125145
Cond-001715	NPD1827	NPD1827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.225142942	Cc1c2oc(=O)c(CCC(=O)O)c(C)c2ccc1OCc1ccc(F)cc1	InChI=1S/C21H19FO5/c1-12-16-7-9-18(26-11-14-3-5-15(22)6-4-14)13(2)20(16)27-21(25)17(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)	C21H19FO5	370.371	5	1	72.83	3	6	0	1.4641	4.75799	3.11	4.01	49.012	101.7258	2.6659	339.193323787514
Cond-001716	NPD1828	NPD1828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.7920955126	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1ccc(Cl)cc1)C2=O)[nH]c1ccccc31	InChI=1S/C21H17ClN4O2/c22-14-7-5-13(6-8-14)10-23-26-12-20(27)25-11-18-16(9-19(25)21(26)28)15-3-1-2-4-17(15)24-18/h1-8,10,19,24H,9,11-12H2/b23-10+/t19-/m1/s1	C21H17ClN4O2	392.838	6	1	68.77	5	2	0	-1.2648	3.16857	3	4.026	48.812	112.464	2.7335	327.703817336224
Cond-001717	NPD1829	NPD1829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.291889666	Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c(C)c2oc1=O	InChI=1S/C25H24N2O6/c1-13-14(2)25(31)33-23-15(3)21(9-8-17(13)23)32-12-22(28)27-20(24(29)30)10-16-11-26-19-7-5-4-6-18(16)19/h4-9,11,20,26H,10,12H2,1-3H3,(H,27,28)(H,29,30)/t20-/m0/s1	C25H24N2O6	448.468	8	3	117.72	4	8	0	0.165899999999999	4.12998000000001	3.33	3.35	63.0065	129.0915	3.2755	404.564074455169
Cond-001718	NPD183	NPD183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.5940269346	CCCCc1cc(C)c2nc(cc(C(=O)O)c2c1)c1ccc(OC)c(OC)c1	InChI=1S/C23H25NO4/c1-5-6-7-15-10-14(2)22-17(11-15)18(23(25)26)13-19(24-22)16-8-9-20(27-3)21(12-16)28-4/h8-13H,5-7H2,1-4H3,(H,25,26)	C23H25NO4	379.449	5	1	68.65	3	7	1	-0.163699999999999	5.46451000000001	3.44	5.868	43.9403	114.7068	2.9711	359.024267696547
Cond-001719	NPD1830	NPD1830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5915119363	CCc1c(OCC(=O)N)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C21H19NO6/c1-2-12-7-14-18(9-17(12)28-11-20(22)23)27-10-15(21(14)24)13-3-4-16-19(8-13)26-6-5-25-16/h3-4,7-10H,2,5-6,11H2,1H3,(H2,22,23)	C21H19NO6	381.379	7	2	97.08	4	5	0	-1.6355	4.05405	3	2.194	51.941	109.2409	2.6981	340.556293145135
Cond-001720	NPD1831	NPD1831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.401174168	CCCc1c(OCc2cc(=O)oc3c2ccc(OC)c3)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C31H26O8/c1-3-4-19-11-23-27(38-17-24(31(23)33)18-5-8-25-29(12-18)36-10-9-35-25)15-26(19)37-16-20-13-30(32)39-28-14-21(34-2)6-7-22(20)28/h5-8,11-15,17H,3-4,9-10,16H2,1-2H3	C31H26O8	526.533	8	0	89.52	6	7	1	-1.2459	7.28813	3.99	5.473	70.6058	152.2685	3.7355	473.941080391958
Cond-001721	NPD1832	NPD1832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0957691841	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCC(C)CC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@@H]2OC(C)(C)O[C@@H]([C@@H]2C)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C46H60N2O12/c1-22-16-19-48(20-17-22)35-34-37(51)32-31(38(35)52)33-42(26(5)36(32)50)60-46(11,43(33)53)56-21-18-30(55-12)25(4)40(57-29(8)49)28(7)41-27(6)39(58-45(9,10)59-41)23(2)14-13-15-24(3)44(54)47-34/h13-15,18,21-23,25,27-28,30,39-41,50H,16-17,19-20H2,1-12H3,(H,47,54)/b14-13-,21-18-,24-15-/t23-,25+,27+,28+,30-,39-,40+,41-,46-/m0/s1	C46H60N2O12	832.975	14	2	176.23	5	4	2	-0.971200000000005	6.70197000000001	4.98	5.816	197.219	223.354999999999	6.32640000000002	814.971735699331
Cond-001722	NPD1833	NPD1833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.2505932116	COC(=O)Cc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O	InChI=1S/C22H19ClO5/c1-14-16-11-18(23)20(27-10-6-9-15-7-4-3-5-8-15)13-19(16)28-22(25)17(14)12-21(24)26-2/h3-9,11,13H,10,12H2,1-2H3/b9-6+	C22H19ClO5	398.836	5	0	61.83	3	7	1	1.7431	5.05706	3.22	6.219	58.4753	110.465	2.8685	362.996358632707
Cond-001723	NPD1834	NPD1834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.828834311	CCOC(=O)CCc1c(C)c2ccc(OC3CCCCC3=O)c(C)c2oc1=O	InChI=1S/C22H26O6/c1-4-26-20(24)12-10-16-13(2)15-9-11-18(14(3)21(15)28-22(16)25)27-19-8-6-5-7-17(19)23/h9,11,19H,4-8,10,12H2,1-3H3	C22H26O6	386.438	6	0	78.9	3	7	0	0.2241	4.74839000000001	3.22	2.964	74.443	108.638	2.9338	375.384893665235
Cond-001724	NPD1835	NPD1835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.487443392	CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCSC)C(=O)O)ccc12	InChI=1S/C20H25NO6S/c1-4-5-13-10-18(23)27-19-12(2)16(7-6-14(13)19)26-11-17(22)21-15(20(24)25)8-9-28-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3,(H,21,22)(H,24,25)/t15-/m0/s1	C20H25NO6S	407.481	7	2	127.23	2	11	1	-0.429000000000002	3.62589	2.78	3.309	79.7716	113.2315	3.0239	382.655167380069
Cond-001725	NPD1836	NPD1836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5475093047	[C@@H]12CCC3C4C[C@@H](Br)C5(OCCO5)[C@@]4(C)CCC3[C@@]1(C)CC=CC2	InChI=1S/C21H31BrO2/c1-19-9-4-3-5-14(19)6-7-15-16(19)8-10-20(2)17(15)13-18(22)21(20)23-11-12-24-21/h3-4,14-18H,5-13H2,1-2H3/t14-,15?,16?,17?,18-,19+,20+/m1/s1	C21H31BrO2	395.374	2	0	18.46	5	0	1	2.3732	5.23789	3.44	7.345	98.568	98.7130000000001	2.7739	344.217456017891
Cond-001726	NPD1837	NPD1837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.28962818	CCc1c(OC(=O)c2cccs2)cc2oc(C)c(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C26H22O6S/c1-3-16-12-18-21(14-20(16)32-26(28)23-6-4-11-33-23)31-15(2)24(25(18)27)17-7-8-19-22(13-17)30-10-5-9-29-19/h4,6-8,11-14H,3,5,9-10H2,1-2H3	C26H22O6S	462.514	6	0	99.3	5	5	1	0.0804000000000009	6.98535	3.55	5.791	61.1337	132.8415	3.2717	406.019104021502
Cond-001727	NPD1838	NPD1838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4977091874	CCc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc2occ(c(=O)c2c1)c1ccc2OCCCOc2c1	InChI=1S/C30H28O9/c1-5-17-11-20-24(15-23(17)39-30(32)19-13-26(33-2)29(35-4)27(14-19)34-3)38-16-21(28(20)31)18-7-8-22-25(12-18)37-10-6-9-36-22/h7-8,11-16H,5-6,9-10H2,1-4H3	C30H28O9	532.538	9	0	98.75	5	8	0	-1.1793	6.55955	3.77	4.9	69.4691	150.0035	3.8049	480.428239868252
Cond-001728	NPD1839	NPD1839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.037586548	COc1cccc(c1)C(=O)COc1ccc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C26H22O5/c1-17-22-12-11-21(30-16-24(27)19-9-6-10-20(14-19)29-2)15-25(22)31-26(28)23(17)13-18-7-4-3-5-8-18/h3-12,14-15H,13,16H2,1-2H3	C26H22O5	414.45	5	0	61.83	4	7	1	0.412199999999999	5.44407	3.77	6.981	43.1161	121.8785	3.1151	388.439853263341
Cond-001729	NPD184	NPD184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2144108081	C[C@@]12CNC[C@@](C)(CN(C1)C1(O)C(=O)Nc3c1cc(Br)cc3)C2=O	InChI=1S/C17H20BrN3O3/c1-15-6-19-7-16(2,13(15)22)9-21(8-15)17(24)11-5-10(18)3-4-12(11)20-14(17)23/h3-5,19,24H,6-9H2,1-2H3,(H,20,23)/t15-,16+,17?	C17H20BrN3O3	394.263	6	3	81.67	4	1	0	-0.2665	1.59439	2.56	0.527	67.5438	95.3062	2.505	307.724648737085
Cond-001730	NPD1840	NPD1840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.921855084	COCCCN1C(/C(=C(\O)/c2c(C)cc(OC)cc2)/C(=O)C1=O)c1cc(OC)ccc1OC	InChI=1S/C25H29NO7/c1-15-13-16(31-3)7-9-18(15)23(27)21-22(19-14-17(32-4)8-10-20(19)33-5)26(11-6-12-30-2)25(29)24(21)28/h7-10,13-14,22,27H,6,11-12H2,1-5H3/b23-21+	C25H29NO7	455.5	8	1	94.53	3	9	0	-1.0699	3.51891	3.33	3.379	73.9907	125.6788	3.429	430.886917049964
Cond-001731	NPD1841	NPD1841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6834047913	CC(C)OC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)NC(=O)N=C1O	InChI=1S/C19H20N4O5/c1-10(2)28-18(26)15(7-11-8-20-14-6-4-3-5-12(11)14)21-9-13-16(24)22-19(27)23-17(13)25/h3-6,8-10,15,20-21H,7H2,1-2H3,(H2,22,23,24,25,27)	C19H20N4O5	384.386	9	4	132.88	3	7	0	-2.1909	1.05556	2.56	2.879	65.2759	106.7122	2.7656	342.520836518141
Cond-001732	NPD1842	NPD1842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	16.424006535	CCOC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(O)nc1ccc(OC)cc21	InChI=1S/C22H20N2O5/c1-3-28-22(26)18-16(12-7-5-4-6-8-12)17-19(29-20(18)23)14-11-13(27-2)9-10-15(14)24-21(17)25/h4-11,16H,3,23H2,1-2H3,(H,24,25)	C22H20N2O5	392.405	7	3	103.9	4	5	1	-0.806999999999999	4.31077	3.11	5.391	42.7906	112.1332	2.8371	346.522352577807
Cond-001733	NPD1843	NPD1843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.274447109	CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1	InChI=1S/C24H28N2O5/c1-5-6-11-26(24(28)16-7-10-21(30-3)22(14-16)31-4)15-18-12-17-13-19(29-2)8-9-20(17)25-23(18)27/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,25,27)	C24H28N2O5	424.49	7	1	77.1	3	10	0	-1.6543	4.64167	3.33	3.59	67.0752	122.3822	3.2705	407.007239231141
Cond-001734	NPD1844	NPD1844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2274278026	CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)Nc3c2cccc3)C(=C(N)O1)C(=O)OCc1ccccc1	InChI=1S/C27H26N2O8/c1-3-34-20(30)14-19-21(24(31)35-4-2)27(17-12-8-9-13-18(17)29-26(27)33)22(23(28)37-19)25(32)36-15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,28H2,1-2H3,(H,29,33)	C27H26N2O8	506.504	10	3	143.25	4	11	2	-1.3232	2.93766	3.33	5.36	79.5862	132.3851	3.6317	465.000038407225
Cond-001735	NPD1845	NPD1845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.343366997	COCCCN1C(/C(=C(/O)\c2c(C)cc(OC)cc2)/C(=O)C1=O)c1cccc(OC)c1OC	InChI=1S/C25H29NO7/c1-15-14-16(31-3)10-11-17(15)22(27)20-21(18-8-6-9-19(32-4)24(18)33-5)26(12-7-13-30-2)25(29)23(20)28/h6,8-11,14,21,27H,7,12-13H2,1-5H3/b22-20-	C25H29NO7	455.5	8	1	94.53	3	9	0	-1.0699	3.51891	3.33	3.379	73.9907	125.6788	3.429	430.886917049964
Cond-001736	NPD1847	NPD1847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.22691102	COC(=O)C(Cc1cc(c(O)cc1)N(=O)=O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C	InChI=1S/C35H42N2O12/c1-33-12-10-21(38)16-20(33)5-6-22-23-11-13-35(45,34(23,2)17-27(40)31(22)33)28(41)18-49-30(43)9-8-29(42)36-24(32(44)48-3)14-19-4-7-26(39)25(15-19)37(46)47/h4,7,15-16,22-24,31,39,45H,5-6,8-14,17-18H2,1-3H3,(H,36,42)/t22?,23?,24?,31?,33-,34-,35-/m0/s1	C35H42N2O12	682.714	14	3	216.51	5	14	1	-1.0924	3.22487000000001	3.77	1.832	142.3809	176.9275	4.9281	639.7088222164
Cond-001737	NPD1848	NPD1848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.634595354	CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(C)C(=O)O	InChI=1S/C33H48N2O10/c1-17(2)28(29(41)34-18(3)30(42)43)35-25(39)8-9-26(40)45-16-24(38)33(44)13-11-22-21-7-6-19-14-20(36)10-12-31(19,4)27(21)23(37)15-32(22,33)5/h14,17-18,21-23,27-28,37,44H,6-13,15-16H2,1-5H3,(H,34,41)(H,35,39)(H,42,43)/t18?,21?,22?,23?,27?,28?,31-,32-,33-/m0/s1	C33H48N2O10	632.742	12	5	196.4	4	14	2	-1.8822	2.00288	3.77	0.285	158.1066	163.2318	4.8095	621.338693067545
Cond-001738	NPD1849	NPD1849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8788514738	COc1cc(cc(OC)c1OC)C1N(C(=O)Cc2ccccc2)c2c(cccc2)N=C2CC(C)(C)CC(=C12)O	InChI=1S/C32H34N2O5/c1-32(2)18-23-29(25(35)19-32)30(21-16-26(37-3)31(39-5)27(17-21)38-4)34(24-14-10-9-13-22(24)33-23)28(36)15-20-11-7-6-8-12-20/h6-14,16-17,30,35H,15,18-19H2,1-5H3	C32H34N2O5	526.623	7	1	80.59	5	7	1	0.0679000000000004	6.99136	4.21	7.241	77.5716	156.1118	4.0515	501.852822734075
Cond-001739	NPD185	NPD185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.452473281	[C@@H]12Cc3c(c(C)nn3CC(=O)N3CC4(C)CC3CC(C)(C)C4)[C@@H]1C2(C)C	InChI=1S/C22H33N3O/c1-13-18-16(7-15-19(18)21(15,4)5)25(23-13)10-17(26)24-12-22(6)9-14(24)8-20(2,3)11-22/h14-15,19H,7-12H2,1-6H3/t14?,15-,19-,22?/m1/s1	C22H33N3O	355.517	4	0	38.13	5	3	0	2.2855	4.73300000000001	3.44	4.646	90.6105	106.414	2.8945	350.25695818853
Cond-001740	NPD1850	NPD1850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4323384814	[Cl-].CCOc1c(OCC)cc(CC2N(CCc3cc(OCC)c(OCC)cc23)C(=O)C[NH2+]C(C)C)cc1	InChI=1S/C29H42N2O5.ClH/c1-7-33-25-12-11-21(16-26(25)34-8-2)15-24-23-18-28(36-10-4)27(35-9-3)17-22(23)13-14-31(24)29(32)19-30-20(5)6;/h11-12,16-18,20,24,30H,7-10,13-15,19H2,1-6H3;1H	C29H43ClN2O5	535.115	7	2	73.84	3	14	1	-1.1547	3.81449000000001	3.88	4.831	91.0645	143.8154	4.0825	500.078309112476
Cond-001741	NPD1852	NPD1852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3923886406	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c(O)n(c([S-])nc1=O)c1cc(ccc1)C(F)(F)F	InChI=1S/C23H20F3N3O5S/c1-28-7-6-11-8-14-18(34-10-33-14)19(32-2)15(11)17(28)16-20(30)27-22(35)29(21(16)31)13-5-3-4-12(9-13)23(24,25)26/h3-5,8-9,17,31H,6-7,10H2,1-2H3,(H,27,30,35)	C23H20F3N3O5S	507.482	8	2	85.03	5	4	0	-0.943900000000002	3.23285	2.67	4.349	62.3394	127.7445	3.2288	412.70679802036
Cond-001742	NPD1853	NPD1853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1424557324	CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NCC(=O)O	InChI=1S/C32H46N2O10/c1-17(2)28(29(42)33-15-25(39)40)34-24(38)7-8-26(41)44-16-23(37)32(43)12-10-21-20-6-5-18-13-19(35)9-11-30(18,3)27(20)22(36)14-31(21,32)4/h13,17,20-22,27-28,36,43H,5-12,14-16H2,1-4H3,(H,33,42)(H,34,38)(H,39,40)/t20?,21?,22?,27?,28?,30-,31-,32-/m0/s1	C32H46N2O10	618.715	12	5	196.4	4	14	2	-1.9782	1.61438	3.66	-0.240999999999999	153.4471	158.6368	4.6686	604.042708441679
Cond-001743	NPD1854	NPD1854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1872441441	Cc1ccccc1n1c(S)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C22H20N4O2S/c1-12-6-2-5-9-16(12)26-21(28)17(20(27)25-22(26)29)19-18-14(10-11-23-19)13-7-3-4-8-15(13)24-18/h2-9,19,23-24,27H,10-11H2,1H3,(H,25,29)	C22H20N4O2S	404.485	6	3	119.52	5	2	0	0.612499999999999	3.70668	3.11	4.013	56.4139	121.5635	2.9155	348.297758249258
Cond-001744	NPD1856	NPD1856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1561099973	COCCCN1C(/C(=C(\O)/c2ccccc2)/C(=O)C1=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C24H27NO7/c1-29-12-8-11-25-20(16-13-17(30-2)23(32-4)18(14-16)31-3)19(22(27)24(25)28)21(26)15-9-6-5-7-10-15/h5-7,9-10,13-14,20,26H,8,11-12H2,1-4H3/b21-19+	C24H27NO7	441.474	8	1	94.53	3	9	0	-1.7119	2.88068	3.22	3.689	68.4886	119.4458	3.2881	413.590932424097
Cond-001745	NPD1857	NPD1857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7274665116	CCc1c(NC2=C3NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(C)c(O)c(C3=O)c(c5C4=O)C2=O)/C)cccc1	InChI=1S/C45H54N2O12/c1-11-28-17-12-13-18-29(28)46-34-35-40(53)32-31(39(34)52)33-42(26(7)38(32)51)59-45(9,43(33)54)57-20-19-30(56-10)23(4)41(58-27(8)48)25(6)37(50)24(5)36(49)21(2)15-14-16-22(3)44(55)47-35/h12-21,23-25,30,36-37,41,46,49-51H,11H2,1-10H3,(H,47,55)/b15-14-,20-19-,22-16-/t21-,23+,24+,25-,30-,36-,37-,41+,45-/m0/s1	C45H54N2O12	814.916	14	5	207.02	4	6	2	-1.4135	6.44636000000001	4.87	5.572	171.9816	221.258299999999	6.16510000000002	791.222833671865
Cond-001746	NPD1858	NPD1858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.1991756577	COc1cc(ccc1O)C1N(CCC(=O)O)C(=O)C(=O)/C/1=C(/O)\c1ccccc1	InChI=1S/C21H19NO7/c1-29-15-11-13(7-8-14(15)23)18-17(19(26)12-5-3-2-4-6-12)20(27)21(28)22(18)10-9-16(24)25/h2-8,11,18,23,26H,9-10H2,1H3,(H,24,25)/b19-17+	C21H19NO7	397.378	8	3	124.37	3	6	0	-1.9454	2.00728	2.89	2.986	53.2505	103.7664	2.8224	359.066519845696
Cond-001747	NPD1859	NPD1859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.853220904	COCCN1C(/C(=C(/O)\c2cc(C)c(OC)cc2)/C(=O)C1=O)c1cccc(OC)c1OC	InChI=1S/C24H27NO7/c1-14-13-15(9-10-17(14)30-3)21(26)19-20(25(11-12-29-2)24(28)22(19)27)16-7-6-8-18(31-4)23(16)32-5/h6-10,13,20,26H,11-12H2,1-5H3/b21-19-	C24H27NO7	441.474	8	1	94.53	3	8	0	-0.781899999999999	3.6296	3.22	2.81	71.0791	123.1228	3.2881	413.590932424097
Cond-001748	NPD186	NPD186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.1810584958	OC(=O)c1cccc(c1)n1c(=O)c2c(cccc2)nc1/C=C/c1ccc(O)cc1	InChI=1S/C23H16N2O4/c26-18-11-8-15(9-12-18)10-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-5-3-4-16(14-17)23(28)29/h1-14,26H,(H,28,29)/b13-10+	C23H16N2O4	384.384	6	2	90.2	4	4	1	-0.9391	4.17757	3.33	5.494	33.6675	113.6631	2.7903	347.118734400713
Cond-001749	NPD1860	NPD1860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9587239299	COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(OC)cc1	InChI=1S/C21H22N2O4/c1-14-4-9-19-15(10-14)11-16(21(25)22-19)12-23(20(24)13-26-2)17-5-7-18(27-3)8-6-17/h4-11H,12-13H2,1-3H3,(H,22,25)	C21H22N2O4	366.41	6	1	67.87	3	7	0	-0.649200000000001	3.91668	3.11	3.363	53.3894	106.7597	2.7891	346.32905865298
Cond-001750	NPD1861	NPD1861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6834047913	COc1ccc(cc1)C(=O)N(C)Cc1cc2cc(OC)ccc2[nH]c1=O	InChI=1S/C20H20N2O4/c1-22(20(24)13-4-6-16(25-2)7-5-13)12-15-10-14-11-17(26-3)8-9-18(14)21-19(15)23/h4-11H,12H2,1-3H3,(H,21,23)	C20H20N2O4	352.384	6	1	67.87	3	6	0	-0.9871	3.46277	3	2.684	49.022	101.9792	2.6482	329.033074027113
Cond-001751	NPD1862	NPD1862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.11992849	CCOC(=O)c1c(c(=O)c2ccc([O-])c(C[NH+]3CCCCC3C)c2o1)c1ccc(OC)cc1	InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-8-10-18(31-3)11-9-17)23(29)19-12-13-21(28)20(24(19)33-25)15-27-14-6-5-7-16(27)2/h8-13,16,28H,4-7,14-15H2,1-3H3	C26H29NO6	451.512	7	1	89.33	4	7	0	-3.4606	3.81307000000001	3.55	4.073	66.4451	127.2352	3.4026	427.036216274469
Cond-001752	NPD1863	NPD1863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.679182824	COc1ccc(cc1)n1c([S-])nc(=O)c(C2[NH+](C)CCc3cc4c(OCO4)c(OC)c23)c1O	InChI=1S/C23H23N3O6S/c1-25-9-8-12-10-15-19(32-11-31-15)20(30-3)16(12)18(25)17-21(27)24-23(33)26(22(17)28)13-4-6-14(29-2)7-5-13/h4-7,10,18,28H,8-9,11H2,1-3H3,(H,24,27,33)	C23H23N3O6S	469.51	9	2	94.26	5	4	0	-2.0938	2.56375	2.89	2.791	63.2206	130.0725	3.2344	403.294348170002
Cond-001753	NPD1865	NPD1865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2786394163	COc1cc(cc(OC)c1OC)C1N(C(=O)c2ccccc2)c2c(cccc2)N=C2CC(CC(=C12)O)c1ccco1	InChI=1S/C33H30N2O6/c1-38-28-18-22(19-29(39-2)32(28)40-3)31-30-24(16-21(17-26(30)36)27-14-9-15-41-27)34-23-12-7-8-13-25(23)35(31)33(37)20-10-5-4-6-11-20/h4-15,18-19,21,31,36H,16-17H2,1-3H3	C33H30N2O6	550.601	8	1	93.73	6	7	1	-1.6001	7.14756	4.21	6.469	63.9304	159.1778	4.05650000000001	499.409657958103
Cond-001754	NPD1866	NPD1866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.8095591693	COc1cccc(C2N(CCC[NH+](C)C)C(=O)C(=O)/C/2=C(/[O-])\c2cc(C)c(OC)cc2)c1OC	InChI=1S/C26H32N2O6/c1-16-15-17(11-12-19(16)32-4)23(29)21-22(18-9-7-10-20(33-5)25(18)34-6)28(26(31)24(21)30)14-8-13-27(2)3/h7,9-12,15,22,29H,8,13-14H2,1-6H3/b23-21+	C26H32N2O6	468.542	8	1	92.57	3	9	0	-2.9352	1.3201	3.44	3.052	75.7905	130.9127	3.611	450.389435183436
Cond-001755	NPD1867	NPD1867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3587555203	CCCCCCCCCCCCCCCCCC[N+]1=C(/C=N/c2c([O-])ccc3c2cccn3)C(C)(C)c2c1cccc2	InChI=1S/C38H53N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-41-34-25-20-19-24-32(34)38(2,3)36(41)30-40-37-31-23-22-28-39-33(31)26-27-35(37)42/h19-20,22-28,30H,4-18,21,29H2,1-3H3	C38H53N3O	567.847	4	0	51.32	4	19	2	-5.8073	11.93747	5.2	13.415	82.0753	185.189999999999	4.9565	599.093959997596
Cond-001756	NPD1868	NPD1868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.0273508081	CC(C)COc1cc(C)c(cc1)/C(=C\1/C(N(CCC[NH+](C)C)C(=O)C1=O)c1cccnc1)/[O-]	InChI=1S/C26H33N3O4/c1-17(2)16-33-20-9-10-21(18(3)14-20)24(30)22-23(19-8-6-11-27-15-19)29(26(32)25(22)31)13-7-12-28(4)5/h6,8-11,14-15,17,23,30H,7,12-13,16H2,1-5H3/b24-22+	C26H33N3O4	451.558	7	1	87	3	9	0	-2.3494	0.667810000000004	3.55	3.833	74.4422	124.9967	3.5934	443.805741990481
Cond-001757	NPD187	NPD187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5334352123	CCCC(=O)N1c2ccc(cc2C(=CC1(C)C)C)C1(C)CC(C)(C)N(C(=O)CCC)c2c1cccc2	InChI=1S/C32H42N2O2/c1-9-13-28(35)33-26-18-17-23(19-24(26)22(3)20-30(33,4)5)32(8)21-31(6,7)34(29(36)14-10-2)27-16-12-11-15-25(27)32/h11-12,15-20H,9-10,13-14,21H2,1-8H3	C32H42N2O2	486.688	4	0	40.62	4	7	1	1.0224	7.98217	4.54	8.408	96.6158	152.224	4.113	506.647977435592
Cond-001758	NPD1870	NPD1870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.305242661	COC(=O)c1ccc(NC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cc1	InChI=1S/C21H18N2O5/c1-28-21(27)13-7-9-14(10-8-13)22-19(25)16-18(24)15-6-2-4-12-5-3-11-23(17(12)15)20(16)26/h2,4,6-10,26H,3,5,11H2,1H3,(H,22,25)	C21H18N2O5	378.378	7	2	95.94	4	5	0	-0.923	3.25207	3	4.655	49.5802	105.681	2.6962	340.126367951941
Cond-001759	NPD1871	NPD1871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6672500062	NC(=O)c1c(NC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cccc1	InChI=1S/C20H17N3O4/c21-18(25)12-7-1-2-9-14(12)22-19(26)15-17(24)13-8-3-5-11-6-4-10-23(16(11)13)20(15)27/h1-3,5,7-9,27H,4,6,10H2,(H2,21,25)(H,22,26)	C20H17N3O4	363.367	7	4	112.73	4	4	0	-1.569	2.56437	2.89	4.246	45.0333	102.8594	2.5964	325.036916833679
Cond-001760	NPD1873	NPD1873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.755759296	COc1ccc(cc1)n1c(S)nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1O	InChI=1S/C21H18N2O7S/c1-27-11-6-4-10(5-7-11)23-19(25)15(18(24)22-21(23)31)16-12-8-9-13(28-2)17(29-3)14(12)20(26)30-16/h4-9,16,25H,1-3H3,(H,22,24,31)	C21H18N2O7S	442.442	9	1	145.69	4	5	0	-0.3486	3.26986	2.67	4.246	63.1869	117.6923	2.9771	376.215845410663
Cond-001761	NPD1875	NPD1875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.931794334	COc1cc(ccc1)C1N(C(=O)c2ccccc2)c2c(cccc2)N=C2CC(C)(C)CC(=C12)O	InChI=1S/C29H28N2O3/c1-29(2)17-23-26(25(32)18-29)27(20-12-9-13-21(16-20)34-3)31(24-15-8-7-14-22(24)30-23)28(33)19-10-5-4-6-11-19/h4-16,27,32H,17-18H2,1-3H3	C29H28N2O3	452.544	5	1	62.13	5	4	1	0.1367	6.77976000000001	4.1	7.715	58.3908	138.4058	3.5114	432.384415455353
Cond-001762	NPD1876	NPD1876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0094648887	Cc1cc(Br)c(O)c(c1)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]	InChI=1S/C19H17BrN2O3/c1-9-6-12(18(23)13(20)7-9)17-16-11(8-15(22-17)19(24)25)10-4-2-3-5-14(10)21-16/h2-7,15,17,21-23H,8H2,1H3,(H,24,25)	C19H17BrN2O3	401.254	5	4	92.76	4	2	0	-1.8565	1.2161	2.89	3.197	36.4934	99.7094	2.558	301.610481678251
Cond-001763	NPD1877	NPD1877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.0508222269	CCOC1=C/C(=C/2\C=CC(=O)C(=C2)OC)/C=C(Nc2cc(C)ccc2)c2c(C)oc(C)c12	InChI=1S/C27H27NO4/c1-6-31-25-15-20(19-10-11-23(29)24(14-19)30-5)13-22(26-17(3)32-18(4)27(25)26)28-21-9-7-8-16(2)12-21/h7-15,28H,6H2,1-5H3/b20-19+	C27H27NO4	429.508	5	1	60.7	4	5	1	1.3302	5.45610000000001	3.88	5.642	93.2184	126.7847	3.3401	421.478830097614
Cond-001764	NPD1878	NPD1878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2994937383	CCOc1ccc(cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1	InChI=1S/C25H23N3O4/c1-3-32-21-6-4-20(5-7-21)28(25(30)17-10-12-26-13-11-17)16-19-14-18-15-22(31-2)8-9-23(18)27-24(19)29/h4-15H,3,16H2,1-2H3,(H,27,29)	C25H23N3O4	429.468	7	1	80.76	4	8	0	-0.839	5.34976	3.44	4.043	47.6191	125.9732	3.2149	395.343922561413
Cond-001765	NPD1879	NPD1879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.3285727797	CCOc1ccc(NC2=C/C(=C/3\C=CC(=O)C=C3)/C=C(OCC)c3c(C)oc(C)c23)cc1	InChI=1S/C27H27NO4/c1-5-30-23-13-9-21(10-14-23)28-24-15-20(19-7-11-22(29)12-8-19)16-25(31-6-2)27-18(4)32-17(3)26(24)27/h7-16,28H,5-6H2,1-4H3	C27H27NO4	429.508	5	1	60.7	4	6	1	1.2787	5.85268000000001	3.88	5.058	92.6073	128.3617	3.3401	421.478830097614
Cond-001766	NPD188	NPD188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9304532124	CCC1(C)C[C@@](CCNCc2ccccc2)(CCO1)c1ccc(C)cc1	InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3/t23?,24-/m1/s1	C24H33NO	351.525	2	1	21.26	3	7	1	0.4828	4.77192000000001	3.88	8.709	57.6823	107.6517	3.0649	368.75894832313
Cond-001767	NPD1880	NPD1880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8388791594	CCCCOCC1CC2(CC(C)(OC2=O)c2cs/c(=N/c3ccc(C)cc3)/[nH]2)C(=O)O1	InChI=1S/C23H28N2O5S/c1-4-5-10-28-12-17-11-23(19(26)29-17)14-22(3,30-20(23)27)18-13-31-21(25-18)24-16-8-6-15(2)7-9-16/h6-9,13,17H,4-5,10-12,14H2,1-3H3,(H,24,25)	C23H28N2O5S	444.544	7	1	111.52	4	7	1	0.0546000000000015	3.76189	3.11	5.326	89.906	121.5457	3.2705	412.036737363675
Cond-001768	NPD1881	NPD1881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.352975782	COCCCN1C(/C(=C(/O)\c2cc(C)c(OC)cc2)/C(=O)C1=O)c1cccc(OC)c1OC	InChI=1S/C25H29NO7/c1-15-14-16(10-11-18(15)31-3)22(27)20-21(17-8-6-9-19(32-4)24(17)33-5)26(12-7-13-30-2)25(29)23(20)28/h6,8-11,14,21,27H,7,12-13H2,1-5H3/b22-20-	C25H29NO7	455.5	8	1	94.53	3	9	0	-1.0699	4.01970000000001	3.33	3.168	73.9907	127.7398	3.429	430.886917049964
Cond-001769	NPD1882	NPD1882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3225298549	Oc1c(C2NCCc3c2[nH]c2c3cccc2)c(=O)n(CC=C)c(S)n1	InChI=1S/C18H18N4O2S/c1-2-9-22-17(24)13(16(23)21-18(22)25)15-14-11(7-8-19-15)10-5-3-4-6-12(10)20-14/h2-6,15,19-20,23H,1,7-9H2,(H,21,25)	C18H18N4O2S	354.426	6	3	119.52	4	3	0	0.689599999999999	2.00445	2.67	1.973	65.7712	104.9455	2.5465	307.64319584819
Cond-001770	NPD1884	NPD1884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.673715573	COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc(OC)c(OC)c3)cc2c1	InChI=1S/C21H22N2O5/c1-23(21(25)13-5-8-18(27-3)19(11-13)28-4)12-15-9-14-10-16(26-2)6-7-17(14)22-20(15)24/h5-11H,12H2,1-4H3,(H,22,24)	C21H22N2O5	382.41	7	1	77.1	3	7	0	-1.0389	3.47137	3	2.24	56.3378	108.5312	2.8478	355.119285353541
Cond-001771	NPD1885	NPD1885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2375210996	O=N(=O)c1cccc(c1)C(=O)[C@H]1[C@@]2([C@@H]3CCCN3[C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1	InChI=1S/C28H22N4O5/c33-23(16-7-5-8-17(15-16)32(36)37)24-27(18-9-1-3-11-20(18)29-25(27)34)22-13-6-14-31(22)28(24)19-10-2-4-12-21(19)30-26(28)35/h1-5,7-12,15,22,24H,6,13-14H2,(H,29,34)(H,30,35)/t22-,24-,27+,28+/m0/s1	C28H22N4O5	494.498	9	2	121.65	7	3	0	-2.2743	4.61608	3.55	4.055	49.4954	139.2349	3.42730000000001	427.313028544541
Cond-001772	NPD1886	NPD1886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1729236121	COc1cccc([O-])c2c1c(C)[n+](c2C)c1ccc(Br)cc1	InChI=1S/C18H16BrNO2/c1-11-17-15(21)5-4-6-16(22-3)18(17)12(2)20(11)14-9-7-13(19)8-10-14/h4-10H,1-3H3	C18H16BrNO2	358.229	3	0	36.39	3	2	0	-0.522	6.12223	3	4.912	27.3799	95.979	2.3672	276.883968844457
Cond-001773	NPD1887	NPD1887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7649395635	CC(=O)C1CCC2C3CCC4=C/C(=N/OCC(=O)NC(C(O)c5cccc(c5)N(=O)=O)C(=O)O)/CCC4(C)C3CCC12C	InChI=1S/C32H41N3O8/c1-18(36)24-9-10-25-23-8-7-20-16-21(11-13-31(20,2)26(23)12-14-32(24,25)3)34-43-17-27(37)33-28(30(39)40)29(38)19-5-4-6-22(15-19)35(41)42/h4-6,15-16,23-26,28-29,38H,7-14,17H2,1-3H3,(H,33,37)(H,39,40)/b34-21+	C32H41N3O8	595.683	11	3	168.43	5	10	1	-0.1628	4.56587000000001	3.77	5.811	127.1821	163.1103	4.4564	568.929639146324
Cond-001774	NPD1888	NPD1888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0944692711	Cn1c(nc2c1cccc2)c1cc2ccc([O-])c(C[NH+]3CCCC3)c2oc1=O	InChI=1S/C22H21N3O3/c1-24-18-7-3-2-6-17(18)23-21(24)15-12-14-8-9-19(26)16(20(14)28-22(15)27)13-25-10-4-5-11-25/h2-3,6-9,12,26H,4-5,10-11,13H2,1H3	C22H21N3O3	375.42	6	1	71.62	5	3	0	-2.4826	3.52415	3.22	2.951	43.9447	112.0277	2.7539	330.218659384852
Cond-001775	NPD1889	NPD1889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.635592193	COC(=O)c1ccc(cc1)C1N(C(=O)CCC(=O)[O-])c2c(cccc2)[NH+]=C2CC(CC(=C12)O)c1cc(OC)c(OC)cc1	InChI=1S/C33H32N2O8/c1-41-27-13-12-21(18-28(27)42-2)22-16-24-31(26(36)17-22)32(19-8-10-20(11-9-19)33(40)43-3)35(29(37)14-15-30(38)39)25-7-5-4-6-23(25)34-24/h4-13,18,22,32,36H,14-17H2,1-3H3,(H,38,39)	C33H32N2O8	584.616	10	2	139.4	5	10	0	-3.8098	5.02856000000001	3.99	3.888	78.3238	161.359	4.2825	540.246570060024
Cond-001776	NPD189	NPD189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3531310523	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CC(O)CC1C(=O)O	InChI=1S/C30H41NO10/c1-28-9-7-17(32)11-16(28)3-4-19-20-8-10-30(40,29(20,2)13-22(34)26(19)28)23(35)15-41-25(37)6-5-24(36)31-14-18(33)12-21(31)27(38)39/h11,18-22,26,33-34,40H,3-10,12-15H2,1-2H3,(H,38,39)/t18?,19?,20?,21?,22?,26?,28-,29-,30-/m0/s1	C30H41NO10	575.647	11	4	178.74	5	9	1	-2.5016	1.31918	3.55	-0.872999999999999	140.7621	144.9832	4.2214	548.73397898178
Cond-001777	NPD1890	NPD1890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9873327254	CC(C)Oc1ccc(cc1)C(CC[NH2+]Cc1ccc([O-])cc1)c1ccccc1	InChI=1S/C25H29NO2/c1-19(2)28-24-14-10-22(11-15-24)25(21-6-4-3-5-7-21)16-17-26-18-20-8-12-23(27)13-9-20/h3-15,19,25-27H,16-18H2,1-2H3	C25H29NO2	375.503	3	2	48.9	3	9	1	-2.7356	4.74709	3.88	8.304	32.9301	113.0524	3.1355	376.035783547158
Cond-001778	NPD1891	NPD1891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.862825527	COc1ccc(cc1)N1C(/C(=C(/O)\C=C\c2ccccc2)/C(=O)C1=O)c1ccccc1	InChI=1S/C26H21NO4/c1-31-21-15-13-20(14-16-21)27-24(19-10-6-3-7-11-19)23(25(29)26(27)30)22(28)17-12-18-8-4-2-5-9-18/h2-17,24,28H,1H3/b17-12+,23-22-	C26H21NO4	411.449	5	1	66.84	4	5	1	-0.8239	5.04106	3.77	8.612	44.5238	121.3578	3.11320000000001	388.009928070146
Cond-001779	NPD1892	NPD1892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8669934169	CCCc1c([O-])c(C[NH+]2CCN(CCO)CC2)c2oc(C)c(c3nc4c(s3)cccc4)c(=O)c2c1	InChI=1S/C27H31N3O4S/c1-3-6-18-15-19-25(33)23(27-28-21-7-4-5-8-22(21)35-27)17(2)34-26(19)20(24(18)32)16-30-11-9-29(10-12-30)13-14-31/h4-5,7-8,15,31-32H,3,6,9-14,16H2,1-2H3	C27H31N3O4S	493.618	7	2	118.4	5	7	0	-2.3406	3.19787000000001	3.55	2.973	81.041	140.7355	3.6806	443.997833272347
Cond-001780	NPD1893	NPD1893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.2856930029	OC(CNc1ccc(O)cc1)C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H25N3O3/c24-17-6-4-16(5-7-17)21-9-18(25)13-22-10-14-8-15(12-22)19-2-1-3-20(26)23(19)11-14/h1-7,14-15,18,21,24-25H,8-13H2/p+1/t14-,15+,18?/m0/s1	C20H26N3O3+	356.439	6	4	77.24	4	5	0	-3.5798	0.668260000000003	3	0.14	73.1904	101.646	2.7312	339.010754286719
Cond-001781	NPD1894	NPD1894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.960878518	COCCCN1C(/C(=C(\O)/c2ccco2)/C(=O)C1=O)c1ccc(O)c(OC)c1	InChI=1S/C20H21NO7/c1-26-9-4-8-21-17(12-6-7-13(22)15(11-12)27-2)16(19(24)20(21)25)18(23)14-5-3-10-28-14/h3,5-7,10-11,17,22-23H,4,8-9H2,1-2H3/b18-16+	C20H21NO7	387.383	8	2	109.44	3	7	0	-2.2227	2.16208	2.78	1.591	58.0407	100.2726	2.7675	347.04345262143
Cond-001782	NPD1895	NPD1895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9006775263	COc1c(OC)cc(CCNC(=O)c2c(O)c3c(CCCC3)nc2O)cc1	InChI=1S/C20H24N2O5/c1-26-15-8-7-12(11-16(15)27-2)9-10-21-19(24)17-18(23)13-5-3-4-6-14(13)22-20(17)25/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,24)(H2,22,23,25)	C20H24N2O5	372.415	7	3	100.91	3	7	0	-1.6498	3.10547	2.89	3.658	51.5067	106.2735	2.7929	343.096218129274
Cond-001783	NPD1896	NPD1896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9249313538	COc1ccc(cc1C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(c1c(O)[nH]c(=S)n(c1=O)c1ccccc1C)c1c(O)nc([S-])n(c1=O)c1ccccc1C	InChI=1S/C42H40N6O6S2/c1-23-9-4-6-11-29(23)47-39(52)35(37(50)43-41(47)55)34(36-38(51)44-42(56)48(40(36)53)30-12-7-5-10-24(30)2)26-15-16-32(54-3)28(18-26)22-45-19-25-17-27(21-45)31-13-8-14-33(49)46(31)20-25/h4-16,18,25,27,34,50-51H,17,19-22H2,1-3H3,(H,43,55)(H,44,56)/t25-,27+/m0/s1	C42H40N6O6S2	788.934	12	4	171.54	8	8	1	-0.505200000000001	4.77788000000001	4.54	5.409	133.969	221.577	5.66160000000001	711.719856333966
Cond-001784	NPD1897	NPD1897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.8776371308	COc1ccc2[nH]c(=O)c(CN(C(C)C)C(=O)c3c(OC)cccc3)cc2c1	InChI=1S/C22H24N2O4/c1-14(2)24(22(26)18-7-5-6-8-20(18)28-4)13-16-11-15-12-17(27-3)9-10-19(15)23-21(16)25/h5-12,14H,13H2,1-4H3,(H,23,25)	C22H24N2O4	380.437	6	1	67.87	3	7	0	-1.0372	4.24137	3.22	3.778	58.5206	111.1912	2.93	363.625043278847
Cond-001785	NPD1898	NPD1898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.265340445	COc1ccc(C2N(CCC(=O)O)C(=O)C(=O)/C/2=C(\O)/c2ccccc2)c(OC)c1	InChI=1S/C22H21NO7/c1-29-14-8-9-15(16(12-14)30-2)19-18(20(26)13-6-4-3-5-7-13)21(27)22(28)23(19)11-10-17(24)25/h3-9,12,19,26H,10-11H2,1-2H3,(H,24,25)/b20-18-	C22H21NO7	411.405	8	2	113.37	3	7	0	-1.5369	2.86578	3	3.505	58.0017	110.9806	2.9633	376.362504471563
Cond-001786	NPD1899	NPD1899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.8400251244	CCOc1cccc([O-])c2c(C)[n+](c(C)c12)c1ccc(Br)cc1	InChI=1S/C19H18BrNO2/c1-4-23-17-7-5-6-16(22)18-12(2)21(13(3)19(17)18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3	C19H18BrNO2	372.256	3	0	36.39	3	3	1	-0.271599999999999	6.51233	3.11	5.335	31.6737	100.596	2.5081	294.179953470324
Cond-001787	NPD19	NPD19	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.804945766	C1COCCN1.CCc1c(c(=O)c2c(o1)cc(OCC(=O)O)cc2)c1cc2c(OCCO2)cc1	InChI=1S/C21H18O7.C4H9NO/c1-2-15-20(12-3-6-16-18(9-12)26-8-7-25-16)21(24)14-5-4-13(10-17(14)28-15)27-11-19(22)23;1-3-6-4-2-5-1/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,23);5H,1-4H2	C25H27NO8	469.484	7	1	91.29	4	5	0	-1.7099	4.87115	3	2.73	50.2646	107.5383	2.657	338.349759637529
Cond-001788	NPD190	NPD190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2449118844	FC(F)(F)c1c(CNC(=O)CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cccc1	InChI=1S/C23H24F3N3O3/c24-23(25,26)18-5-2-1-4-16(18)11-27-20(30)8-9-21(31)28-12-15-10-17(14-28)19-6-3-7-22(32)29(19)13-15/h1-7,15,17H,8-14H2,(H,27,30)/t15-,17-/m0/s1	C23H24F3N3O3	447.45	6	1	69.72	4	8	0	-0.857999999999997	2.26807	3	2.748	87.0671	110.8067	3.0995	402.510237963238
Cond-001789	NPD1900	NPD1900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.000098049	COCCN1C(c2ccc[nH+]c2)/C(=C(\[O-])/c2cc(C)c(OCC(C)C)cc2)/C(=O)C1=O	InChI=1S/C24H28N2O5/c1-15(2)14-31-19-8-7-17(12-16(19)3)22(27)20-21(18-6-5-9-25-13-18)26(10-11-30-4)24(29)23(20)28/h5-9,12-13,15,21,27H,10-11,14H2,1-4H3/b22-20+	C24H28N2O5	424.49	7	1	93.04	3	8	0	-2.3178	1.2176	3.33	3.268	67.453	115.832	3.2705	407.007239231141
Cond-001790	NPD1901	NPD1901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4750878894	[I-].CCOc1c(OCC)cc(CC2N(CCc3cc(OCC)c(OCC)cc23)C(=O)C[NH+](C)C(C)C)cc1	InChI=1S/C30H44N2O5.HI/c1-8-34-26-13-12-22(17-27(26)35-9-2)16-25-24-19-29(37-11-4)28(36-10-3)18-23(24)14-15-32(25)30(33)20-31(7)21(5)6;/h12-13,17-19,21,25H,8-11,14-16,20H2,1-7H3;1H	C30H45IN2O5	640.593	7	1	61.67	3	14	1	-1.0524	3.76579000000001	3.99	4.799	96.7612	148.7767	4.2234	517.374293738342
Cond-001791	NPD1903	NPD1903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3466281938	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c(O)n(c([S-])nc1=O)c1ccccc1	InChI=1S/C22H21N3O5S/c1-24-9-8-12-10-14-18(30-11-29-14)19(28-2)15(12)17(24)16-20(26)23-22(31)25(21(16)27)13-6-4-3-5-7-13/h3-7,10,17,27H,8-9,11H2,1-2H3,(H,23,26,31)	C22H21N3O5S	439.484	8	2	85.03	5	3	0	-2.042	2.55515	2.89	3.446	55.9048	123.5205	3.0348	377.208136843574
Cond-001792	NPD1904	NPD1904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9503185331	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1c(C)ccc(c1)N(=O)=O	InChI=1S/C23H22N4O5S/c1-12-7-8-13(27(31)32)11-17(12)26-20(28)18-16(9-10-33-2)25-23(19(18)21(26)29)14-5-3-4-6-15(14)24-22(23)30/h3-8,11,16,18-19,25H,9-10H2,1-2H3,(H,24,30)/t16?,18-,19+,23?/m1/s1	C23H22N4O5S	466.51	9	2	146.95	5	5	0	-0.7196	3.28931	2.89	3.491	66.5747	128.4194	3.2325	402.864422976808
Cond-001793	NPD1905	NPD1905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5415092942	COCCCN1C(c2ccc(cc2)C(C)C)/C(=C(\O)/c2ccc3OC(C)Cc3c2)/C(=O)C1=O	InChI=1S/C27H31NO5/c1-16(2)18-6-8-19(9-7-18)24-23(26(30)27(31)28(24)12-5-13-32-4)25(29)20-10-11-22-21(15-20)14-17(3)33-22/h6-11,15-17,24,29H,5,12-14H2,1-4H3/b25-23+	C27H31NO5	449.539	6	1	76.07	4	7	1	-1.0744	4.80247000000001	3.77	6.274	76.5901	129.7338	3.4848	435.541974199775
Cond-001794	NPD1906	NPD1906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1409350824	CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)Nc3c2cccc3)C(=C(N)O1)C(=O)OC(C)C	InChI=1S/C23H26N2O8/c1-5-30-16(26)11-15-17(20(27)31-6-2)23(13-9-7-8-10-14(13)25-22(23)29)18(19(24)33-15)21(28)32-12(3)4/h7-10,12H,5-6,11,24H2,1-4H3,(H,25,29)	C23H26N2O8	458.461	10	3	143.25	3	10	0	-1.2826	2.48536	2.89	3.335	90.0693	118.1311	3.3057	426.981934706958
Cond-001795	NPD1907	NPD1907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7819441417	CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1	InChI=1S/C22H24N2O4/c1-4-24(21(25)11-15-5-7-18(27-2)8-6-15)14-17-12-16-13-19(28-3)9-10-20(16)23-22(17)26/h5-10,12-13H,4,11,14H2,1-3H3,(H,23,26)	C22H24N2O4	380.437	6	1	67.87	3	8	0	-0.701900000000001	3.78177	3.22	3.099	57.865	110.9767	2.93	363.625043278847
Cond-001796	NPD1908	NPD1908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4015511634	COc1ccc(cc1Cn1nnc2c1cccc2)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]	InChI=1S/C26H23N5O3/c1-34-23-11-10-15(12-16(23)14-31-22-9-5-4-8-20(22)29-30-31)24-25-18(13-21(28-24)26(32)33)17-6-2-3-7-19(17)27-25/h2-12,21,24,27-28H,13-14H2,1H3,(H,32,33)	C26H23N5O3	453.493	8	3	112.47	6	5	0	-2.954	2.27456000000001	3.44	3.971	34.7536	130.5894	3.2795	379.330283501452
Cond-001797	NPD1909	NPD1909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7993730408	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2c1cc([O-])/c(=[NH+]/Cc1c(OC)c(N)c(C)nc1)/cc2)NC(=O)C	InChI=1S/C29H34N4O6/c1-15-26(30)27(37-4)18(13-31-15)14-32-22-10-8-19-20(12-23(22)35)21(33-16(2)34)9-7-17-11-24(36-3)28(38-5)29(39-6)25(17)19/h8,10-13,21H,7,9,14,30H2,1-6H3,(H,32,35)(H,33,34)/t21-/m0/s1	C29H34N4O6	534.603	10	4	141.96	4	8	0	-3.6509	1.04598000000001	3.55	1.382	99.4553	149.2008	4.0387	506.64153337497
Cond-001798	NPD191	NPD191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.786339755	CN(C)c1ccc(CNCCC2(CCOC(C)(C)C2)c2ccccc2)cc1	InChI=1S/C24H34N2O/c1-23(2)19-24(15-17-27-23,21-8-6-5-7-9-21)14-16-25-18-20-10-12-22(13-11-20)26(3)4/h5-13,25H,14-19H2,1-4H3	C24H34N2O	366.54	3	1	24.5	3	7	1	0.7348	4.41980000000001	3.77	6.994	63.3938	113.7217	3.1647	379.755708531297
Cond-001799	NPD1910	NPD1910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5596725048	CCOC1=C/C(=C\2/C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(=C2)OCC)/C=CC1=O	InChI=1S/C28H29NO4/c1-6-31-25-15-20(10-13-24(25)30)21-14-23(29-22-11-8-17(3)9-12-22)27-18(4)33-19(5)28(27)26(16-21)32-7-2/h8-16,29H,6-7H2,1-5H3/b21-20-	C28H29NO4	443.534	5	1	60.7	4	6	1	1.5806	5.84620000000001	3.99	6.065	97.5122	131.4017	3.481	438.77481472348
Cond-001800	NPD1911	NPD1911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.0494030465	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1c(Cl)ccc(c1)N(=O)=O)C2=O)[nH]c1ccccc31	InChI=1S/C21H16ClN5O4/c22-16-6-5-13(27(30)31)7-12(16)9-23-26-11-20(28)25-10-18-15(8-19(25)21(26)29)14-3-1-2-4-17(14)24-18/h1-7,9,19,24H,8,10-11H2/b23-9+/t19-/m1/s1	C21H16ClN5O4	437.836	9	1	111.91	5	3	0	-0.6047	2.93577	2.67	3.913	52.702	120.992	2.9077	353.644572244713
Cond-001801	NPD1912	NPD1912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9446503403	CCCCCCn1c(=O)c(C2NCCc3c2[nH]c2c3cccc2)c(O)nc1S	InChI=1S/C21H26N4O2S/c1-2-3-4-7-12-25-20(27)16(19(26)24-21(25)28)18-17-14(10-11-22-18)13-8-5-6-9-15(13)23-17/h5-6,8-9,18,22-23,26H,2-4,7,10-12H2,1H3,(H,24,28)	C21H26N4O2S	398.522	6	3	119.52	4	6	0	-1.1186	3.47256	3	3.846	73.1691	119.1605	3.0122	362.167608426591
Cond-001802	NPD1913	NPD1913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.5792563601	COc1cccc([O-])c2c1c(C)[n+](c2C)c1ccc(I)cc1	InChI=1S/C18H16INO2/c1-11-17-15(21)5-4-6-16(22-3)18(17)12(2)20(11)14-9-7-13(19)8-10-14/h4-10H,1-3H3	C18H16INO2	405.23	3	0	36.39	3	2	1	0.00929999999999986	5.96433	3	5.112	32.727	100.996	2.4504	282.877151537156
Cond-001803	NPD1914	NPD1914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3046459246	COc1cc(cc(OC)c1OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1c(C)cc(OCC(C)C)cc1	InChI=1S/C30H40N2O7/c1-18(2)17-39-21-10-11-22(19(3)14-21)27(33)25-26(32(30(35)28(25)34)13-9-12-31(4)5)20-15-23(36-6)29(38-8)24(16-20)37-7/h10-11,14-16,18,26,33H,9,12-13,17H2,1-8H3/b27-25+	C30H40N2O7	540.648	9	1	101.8	3	12	1	-2.5048	1.29861000000001	3.77	3.897	96.3896	146.8577	4.2333	528.363600387464
Cond-001804	NPD1915	NPD1915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.6115937724	COc1c(C)cc(cc1)/C(=C\1/C(N(CCC[NH+](C)C)C(=O)C1=O)c1cccnc1)/[O-]	InChI=1S/C23H27N3O4/c1-15-13-16(8-9-18(15)30-4)21(27)19-20(17-7-5-10-24-14-17)26(23(29)22(19)28)12-6-11-25(2)3/h5,7-10,13-14,20,27H,6,11-12H2,1-4H3/b21-19+	C23H27N3O4	409.478	7	1	87	3	7	0	-2.8316	0.142400000000003	3.22	2.544	61.1589	113.2767	3.1707	391.91778811288
Cond-001805	NPD1916	NPD1916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4812797318	CNC(=O)c1c(NC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cccc1	InChI=1S/C21H19N3O4/c1-22-19(26)13-8-2-3-10-15(13)23-20(27)16-18(25)14-9-4-6-12-7-5-11-24(17(12)14)21(16)28/h2-4,6,8-10,28H,5,7,11H2,1H3,(H,22,26)(H,23,27)	C21H19N3O4	377.393	7	3	98.74	4	5	0	-1.4667	2.82507	3	4.764	50.73	107.7317	2.7373	342.332901459546
Cond-001806	NPD1917	NPD1917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6828119744	COc1cc(ccc1O)C1Nc2ccccc2N=C2CC(C)(C)CC(=C12)O	InChI=1S/C22H24N2O3/c1-22(2)11-16-20(18(26)12-22)21(13-8-9-17(25)19(10-13)27-3)24-15-7-5-4-6-14(15)23-16/h4-10,21,24-26H,11-12H2,1-3H3	C22H24N2O3	364.438	5	3	74.08	4	2	0	-0.109200000000001	5.72566	3.33	3.978	56.8139	109.6585	2.8057	345.114816578285
Cond-001807	NPD1918	NPD1918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.4336168372	CCOC(=O)c1c(c2nc3c(s2)cccc3)c(=O)c2ccc(O)cc2o1	InChI=1S/C19H13NO5S/c1-2-24-19(23)17-15(18-20-12-5-3-4-6-14(12)26-18)16(22)11-8-7-10(21)9-13(11)25-17/h3-9,21H,2H2,1H3	C19H13NO5S	367.375	6	1	113.96	4	4	0	-0.2006	4.50856	2.78	3.542	42.0316	101.5213	2.4781	302.14666254964
Cond-001808	NPD192	NPD192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.4470377911	O=C1OC2(CC(C3CCCC[C@]43Nc3c(cccc3)N24)c2ccccc2)c2c1cccc2	InChI=1S/C28H26N2O2/c31-26-20-12-4-5-14-23(20)28(32-26)18-21(19-10-2-1-3-11-19)22-13-8-9-17-27(22)29-24-15-6-7-16-25(24)30(27)28/h1-7,10-12,14-16,21-22,29H,8-9,13,17-18H2/t21?,22?,27-,28?/m0/s1	C28H26N2O2	422.518	4	1	41.57	7	1	1	-1.1515	6.22499000000001	4.1	9.512	41.105	127.5017	3.1806	386.858204128925
Cond-001809	NPD1921	NPD1921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1110470424	Cc1ccc2nc(O)c(Cc3c(O)c4cc(C)ccc4nc3O)c(O)c2c1	InChI=1S/C21H18N2O4/c1-10-3-5-16-12(7-10)18(24)14(20(26)22-16)9-15-19(25)13-8-11(2)4-6-17(13)23-21(15)27/h3-8H,9H2,1-2H3,(H2,22,24,26)(H2,23,25,27)	C21H18N2O4	362.379	6	4	106.7	4	2	0	-0.101	4.30032000000001	3.11	3.376	25.8636	103.9774	2.6375	309.53614125138
Cond-001810	NPD1922	NPD1922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.974081341	COc1ccc2[nH]c(=O)c(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3cc(C)c(C)cc3)cc2c1	InChI=1S/C29H30N2O6/c1-17-7-8-22(11-18(17)2)31(29(33)20-14-25(35-4)27(37-6)26(15-20)36-5)16-21-12-19-13-23(34-3)9-10-24(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32)	C29H30N2O6	502.558	8	1	86.33	4	9	0	0.0909999999999986	5.6379	3.77	4.985	68.9611	143.9452	3.7961	471.111554257836
Cond-001811	NPD1923	NPD1923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9876988131	COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3c2cc(Br)cc3)C(=C(N)O1)C(=O)OC	InChI=1S/C19H17BrN2O8/c1-27-12(23)7-11-13(16(24)28-2)19(14(15(21)30-11)17(25)29-3)9-6-8(20)4-5-10(9)22-18(19)26/h4-6H,7,21H2,1-3H3,(H,22,26)	C19H17BrN2O8	481.251	10	3	143.25	3	7	0	-0.844500000000001	1.68906	2.34	1.829	80.5822	107.3851	2.9171	377.081615181057
Cond-001812	NPD1924	NPD1924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7007499814	COc1ccc(OC)c(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1cc(C)c(OC)cc1	InChI=1S/C25H30N2O6/c1-15-13-16(7-9-19(15)32-5)23(28)21-22(18-14-17(31-4)8-10-20(18)33-6)27(12-11-26(2)3)25(30)24(21)29/h7-10,13-14,22,28H,11-12H2,1-6H3/b23-21+	C25H30N2O6	454.515	8	1	92.57	3	8	0	-2.6472	0.930000000000004	3.33	2.694	72.8789	126.2957	3.4701	433.093450557569
Cond-001813	NPD1925	NPD1925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.005603693	CCOc1cc(ccc1O)C1N(CCc2ccccc2)C(=O)C(=O)/C/1=C(/O)\c1ccc2OC(C)Cc2c1	InChI=1S/C30H29NO6/c1-3-36-25-17-20(9-11-23(25)32)27-26(28(33)21-10-12-24-22(16-21)15-18(2)37-24)29(34)30(35)31(27)14-13-19-7-5-4-6-8-19/h4-12,16-18,27,32-33H,3,13-15H2,1-2H3/b28-26+	C30H29NO6	499.554	7	2	96.3	5	7	1	-1.3252	4.98957000000001	3.99	6.777	66.0087	142.1316	3.7286	465.054319974736
Cond-001814	NPD1926	NPD1926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0481814122	CN1CC[NH+](Cc2c3oc(=O)c(Cc4ccccc4)c(C)c3ccc2[O-])CC1	InChI=1S/C23H26N2O3/c1-16-18-8-9-21(26)20(15-25-12-10-24(2)11-13-25)22(18)28-23(27)19(16)14-17-6-4-3-5-7-17/h3-9,26H,10-15H2,1-2H3	C23H26N2O3	378.464	5	1	57.04	4	4	0	-0.980800000000001	2.56317	3.44	4.172	56.4289	113.1557	2.9466	362.410801204152
Cond-001815	NPD1927	NPD1927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.580118211	COCCOC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc1c2cc(Br)cc1)C	InChI=1S/C19H19BrN2O6/c1-9(23)14-10(2)28-16(21)15(17(24)27-7-6-26-3)19(14)12-8-11(20)4-5-13(12)22-18(19)25/h4-5,8H,6-7,21H2,1-3H3,(H,22,25)	C19H19BrN2O6	451.268	8	3	116.95	3	6	0	-0.847	2.57846	2.56	2.058	79.6026	105.9101	2.8427	362.137620480735
Cond-001816	NPD1928	NPD1928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9256352494	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCCCC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C42H54N2O12/c1-20-14-13-15-21(2)41(52)43-31-32(44-17-11-10-12-18-44)37(50)28-29(36(31)49)35(48)25(6)39-30(28)40(51)42(8,56-39)54-19-16-27(53-9)22(3)38(55-26(7)45)24(5)34(47)23(4)33(20)46/h13-16,19-20,22-24,27,33-34,38,46-48H,10-12,17-18H2,1-9H3,(H,43,52)/b14-13-,19-16-,21-15-/t20-,22+,23+,24-,27-,33-,34-,38+,42-/m0/s1	C42H54N2O12	778.884	14	4	198.23	4	4	1	-2.1276	4.65767000000001	4.54	3.466	179.3883	206.996599999999	5.87140000000002	758.144255896665
Cond-001817	NPD1929	NPD1929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3225221788	CCOc1ccc(/C=N/N=c/2\[nH]c3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	InChI=1S/C19H23N7O5/c1-2-30-11-5-3-10(4-6-11)7-23-25-19-24-13-16(20)21-9-22-17(13)26(19)18-15(29)14(28)12(8-27)31-18/h3-7,9,12,14-15,18,27-29H,2,8H2,1H3,(H,24,25)(H2,20,21,22)/b23-7+/t12-,14-,15-,18-/m1/s1	C19H23N7O5	429.43	12	6	170.94	4	6	1	-2.5974	0.543370000000003	2.23	2.41	61.9787	114.4285	2.9994	365.791117142641
Cond-001818	NPD193	NPD193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.819354173	COc1cc(N/C=C/2\C(=O)C(=C(C(C)C)c3cc(C)c(c(O)c23)c2c(O)c3c(cc2C)C(=C(O)C(=O)/C/3=C\Nc2cc(OC)ccc2OC)C(C)C)O)c(OC)cc1	InChI=1S/C46H48N2O10/c1-21(2)35-27-15-23(5)37(43(51)39(27)29(41(49)45(35)53)19-47-31-17-25(55-7)11-13-33(31)57-9)38-24(6)16-28-36(22(3)4)46(54)42(50)30(40(28)44(38)52)20-48-32-18-26(56-8)12-14-34(32)58-10/h11-22,47-48,51-54H,1-10H3/b29-19-,30-20-	C46H48N2O10	788.881	12	6	176.04	6	11	3	-1.1458	10.08177	5.2	8.262	129.3126	227.412799999999	5.95100000000002	748.87253009341
Cond-001819	NPD1930	NPD1930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0205169198	CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccnc1	InChI=1S/C21H23N3O3/c1-3-4-10-24(21(26)15-6-5-9-22-13-15)14-17-11-16-12-18(27-2)7-8-19(16)23-20(17)25/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,25)	C21H23N3O3	365.426	6	1	71.53	3	8	0	-1.5507	4.01947	3.11	3.082	52.4436	107.0732	2.8302	348.535592160585
Cond-001820	NPD1931	NPD1931	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.0531167583	CCCCCn1c(O)c(C(=O)Nc2c(cccc2)C(=O)N)c(=O)c2c1cccc2	InChI=1S/C22H23N3O4/c1-2-3-8-13-25-17-12-7-5-10-15(17)19(26)18(22(25)29)21(28)24-16-11-6-4-9-14(16)20(23)27/h4-7,9-12,29H,2-3,8,13H2,1H3,(H2,23,27)(H,24,28)	C22H23N3O4	393.436	7	4	112.73	3	8	1	-2.1561	3.28128	3.11	5.97	51.8898	113.6394	2.9868	371.985344786213
Cond-001821	NPD1932	NPD1932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6953511375	COCCN1C(/C(=C(\O)/c2ccc3OC(C)Cc3c2)/C(=O)C1=O)c1cccc(O)c1	InChI=1S/C23H23NO6/c1-13-10-16-11-15(6-7-18(16)30-13)21(26)19-20(14-4-3-5-17(25)12-14)24(8-9-29-2)23(28)22(19)27/h3-7,11-13,20,25-26H,8-10H2,1-2H3/b21-19+	C23H23NO6	409.432	7	2	96.3	4	5	0	-1.8196	2.99457	3.22	2.92	61.9753	112.6926	2.9799	375.148262396869
Cond-001822	NPD1933	NPD1933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.1526596511	COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3c2cccc3)C(=C(N)O1)C(=O)OC	InChI=1S/C19H18N2O8/c1-26-12(22)8-11-13(16(23)27-2)19(14(15(20)29-11)17(24)28-3)9-6-4-5-7-10(9)21-18(19)25/h4-7H,8,20H2,1-3H3,(H,21,25)	C19H18N2O8	402.355	10	3	143.25	3	7	0	-1.7333	0.92656	2.45	1.606	71.9831	99.6851	2.7421	357.797996203491
Cond-001823	NPD1934	NPD1934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.127855672	COCCN1C(/C(=C(\O)/c2ccco2)/C(=O)C1=O)c1cccc(OC)c1	InChI=1S/C19H19NO6/c1-24-10-8-20-16(12-5-3-6-13(11-12)25-2)15(18(22)19(20)23)17(21)14-7-4-9-26-14/h3-7,9,11,16,21H,8,10H2,1-2H3/b17-15+	C19H19NO6	357.357	7	1	89.21	3	6	0	-1.4744	2.06638	2.78	2.196	52.5645	93.9908	2.5679	320.957241295002
Cond-001824	NPD1935	NPD1935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3933463796	CCCCCCCCCCCCCCCCn1c(N)nc2c1c(=O)nc(O)n2C	InChI=1S/C22H39N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18-19(24-21(27)23)26(2)22(29)25-20(18)28/h3-17H2,1-2H3,(H2,23,24)(H,25,28,29)	C22H39N5O2	405.577	7	3	96.74	2	15	2	-5.4477	6.65415000000001	3.11	8.337	79.9091	126.0912	3.4356	415.473622707025
Cond-001825	NPD1936	NPD1936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.494270723	COc1ccc(CNC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cc1	InChI=1S/C21H20N2O4/c1-27-15-9-7-13(8-10-15)12-22-20(25)17-19(24)16-6-2-4-14-5-3-11-23(18(14)16)21(17)26/h2,4,6-10,26H,3,5,11-12H2,1H3,(H,22,25)	C21H20N2O4	364.394	6	2	78.87	4	5	1	-0.974400000000001	3.07777	3.11	5.454	49.6198	103.576	2.6805	333.97259995218
Cond-001826	NPD1938	NPD1938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.664390821	COc1ccc(CNC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cc1OC	InChI=1S/C22H22N2O5/c1-28-16-9-8-13(11-17(16)29-2)12-23-21(26)18-20(25)15-7-3-5-14-6-4-10-24(19(14)15)22(18)27/h3,5,7-9,11,27H,4,6,10,12H2,1-2H3,(H,23,26)	C22H22N2O5	394.42	7	2	88.1	4	6	1	-1.0262	3.08637	3.11	5.01	56.9356	110.128	2.8801	360.058811278608
Cond-001827	NPD1939	NPD1939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3907177288	COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1	InChI=1S/C21H22N2O4/c1-14-4-5-15-11-16(21(25)22-19(15)10-14)12-23(20(24)13-26-2)17-6-8-18(27-3)9-7-17/h4-11H,12-13H2,1-3H3,(H,22,25)	C21H22N2O4	366.41	6	1	67.87	3	7	0	-0.649200000000001	3.91668	3.11	3.363	53.3894	106.7597	2.7891	346.32905865298
Cond-001828	NPD194	NPD194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2741031112	[C@@H]1(CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl)[C@H](C)CCCC(C)C	InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23?,24-,25+,26+,28+,29-/m1/s1	C29H47ClO2	463.135	2	0	26.3	4	8	1	2.46650000000001	8.33848000000001	4.32	11.495	129.0793	136.619	3.9141	488.232781817692
Cond-001829	NPD1940	NPD1940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7661332949	CCOC(=O)C1=C(N)OC(=C(C(=O)OC)C21C(=O)Nc1c2cccc1)CC(=O)OC	InChI=1S/C20H20N2O8/c1-4-29-18(25)15-16(21)30-12(9-13(23)27-2)14(17(24)28-3)20(15)10-7-5-6-8-11(10)22-19(20)26/h5-8H,4,9,21H2,1-3H3,(H,22,26)	C20H20N2O8	416.381	10	3	143.25	3	8	0	-1.4829	1.31666	2.56	2.029	76.2769	104.3021	2.883	375.093980829357
Cond-001830	NPD1941	NPD1941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1848702856	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(Nc5cc(OC)c(OC)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C45H54N2O14/c1-20-13-12-14-21(2)44(55)47-35-34(46-27-15-16-29(57-10)30(19-27)58-11)39(52)31-32(40(35)53)38(51)25(6)42-33(31)43(54)45(8,61-42)59-18-17-28(56-9)22(3)41(60-26(7)48)24(5)37(50)23(4)36(20)49/h12-20,22-24,28,36-37,41,46,49-51H,1-11H3,(H,47,55)/b13-12-,18-17-,21-14-/t20-,22+,23+,24-,28-,36-,37-,41+,45-/m0/s1	C45H54N2O14	846.915	16	5	225.48	4	7	1	-1.824	5.90116000000001	4.65	3.792	176.2627	224.984299999999	6.28250000000002	808.803287072987
Cond-001831	NPD1942	NPD1942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9135743585	CCC(=O)N1C(CC2CC=C(C)C2(C)C)C2=C(O)CC(C)(C)CC2=Nc2c1cccc2	InChI=1S/C27H36N2O2/c1-7-24(31)29-21-11-9-8-10-19(21)28-20-15-26(3,4)16-23(30)25(20)22(29)14-18-13-12-17(2)27(18,5)6/h8-12,18,22,30H,7,13-16H2,1-6H3	C27H36N2O2	420.587	4	1	52.9	4	4	1	2.11489999999999	7.40995000000001	3.99	6.509	101.8682	131.9758	3.4945	436.340971707859
Cond-001832	NPD1943	NPD1943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1696698861	CCOC(=O)C1=C(N)Oc2c(C1c1ccc(OC)cc1)c(O)nc1c(C)cccc21	InChI=1S/C23H22N2O5/c1-4-29-23(27)18-16(13-8-10-14(28-3)11-9-13)17-20(30-21(18)24)15-7-5-6-12(2)19(15)25-22(17)26/h5-11,16H,4,24H2,1-3H3,(H,25,26)	C23H22N2O5	406.431	7	3	103.9	4	5	0	-0.164999999999999	4.3935	3.22	4.659	48.2927	116.0392	2.978	363.818337203674
Cond-001833	NPD1944	NPD1944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.587084149	CC1CCC[NH+](Cc2c3oc(C)c(c4nc5c(s4)cccc5)c(=O)c3ccc2[O-])C1	InChI=1S/C24H24N2O3S/c1-14-6-5-11-26(12-14)13-17-19(27)10-9-16-22(28)21(15(2)29-23(16)17)24-25-18-7-3-4-8-20(18)30-24/h3-4,7-10,14,27H,5-6,11-13H2,1-2H3	C24H24N2O3S	420.524	5	1	94.93	5	3	0	-1.6646	4.36737000000001	3.44	3.95	58.9526	121.6127	3.0994	372.322892486019
Cond-001834	NPD1945	NPD1945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5199304247	CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccco1	InChI=1S/C31H32N2O5/c1-3-4-5-12-28(35)33-25-10-7-6-9-23(25)32-24-18-22(27-11-8-17-38-27)19-26(34)29(24)30(33)20-13-15-21(16-14-20)31(36)37-2/h6-11,13-17,22,30,34H,3-5,12,18-19H2,1-2H3	C31H32N2O5	512.596	7	1	92.34	5	9	1	-2.2114	6.64777000000001	4.1	6.573	73.1541	148.8138	3.9106	484.556838108208
Cond-001835	NPD1946	NPD1946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0981982204	COc1ccccc1CNC(=O)c1c(O)n2CCCc3c2c(ccc3)c1=O	InChI=1S/C21H20N2O4/c1-27-16-10-3-2-6-14(16)12-22-20(25)17-19(24)15-9-4-7-13-8-5-11-23(18(13)15)21(17)26/h2-4,6-7,9-10,26H,5,8,11-12H2,1H3,(H,22,25)	C21H20N2O4	364.394	6	2	78.87	4	5	1	-0.974400000000001	3.63327	3.11	5.665	49.6198	105.903	2.6805	333.97259995218
Cond-001836	NPD1947	NPD1947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.536428658	COc1ccc(cc1OC)C1N(CCCC(=O)O)C(=O)C(=O)/C/1=C(\O)/c1ccccc1	InChI=1S/C23H23NO7/c1-30-16-11-10-15(13-17(16)31-2)20-19(21(27)14-7-4-3-5-8-14)22(28)23(29)24(20)12-6-9-18(25)26/h3-5,7-8,10-11,13,20,27H,6,9,12H2,1-2H3,(H,25,26)/b21-19-	C23H23NO7	425.431	8	2	113.37	3	8	0	-1.8249	2.70038	3.11	3.863	60.9133	113.2706	3.1042	393.65848909743
Cond-001837	NPD1948	NPD1948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1128493752	Nc1ncnc2c1[nH]/c(=N\N=C\c1ccco1)/n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C15H17N7O5/c16-12-9-13(18-6-17-12)22(14-11(25)10(24)8(5-23)27-14)15(20-9)21-19-4-7-2-1-3-26-7/h1-4,6,8,10-11,14,23-25H,5H2,(H,20,21)(H2,16,17,18)/b19-4+/t8-,10-,11-,14-/m1/s1	C15H17N7O5	375.339	12	6	174.85	4	4	1	-2.9501	-0.262330000000001	1.79	1.041	51.9882	95.5255	2.4788	299.243637339974
Cond-001838	NPD1949	NPD1949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.1529172123	COc1cc(OC)cc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)C	InChI=1S/C23H26N2O4/c1-14(2)25(23(27)17-10-19(28-4)12-20(11-17)29-5)13-18-9-16-8-15(3)6-7-21(16)24-22(18)26/h6-12,14H,13H2,1-5H3,(H,24,26)	C23H26N2O4	394.464	6	1	67.87	3	7	0	-0.395200000000001	4.26939	3.33	4.101	64.0227	114.8312	3.0709	380.921027904713
Cond-001839	NPD195	NPD195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5392562945	COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	InChI=1S/C31H32N4O5/c1-40-25-12-10-21(11-13-25)15-31(28(37)32-30(39)35(29(31)38)17-22-6-3-2-4-7-22)20-33-16-23-14-24(19-33)26-8-5-9-27(36)34(26)18-23/h2-13,23-24H,14-20H2,1H3,(H,32,37,39)/t23-,24+,31?/m1/s1	C31H32N4O5	540.61	9	1	99.26	6	7	0	-1.5714	2.48347	3.88	3.677	98.6242	148.5817	4.0016	505.093899823742
Cond-001840	NPD1950	NPD1950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.765166341	CCc1c(OC(=O)c2ccc(cc2)N(=O)=O)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C26H19NO8/c1-2-15-11-19-23(13-22(15)35-26(29)16-3-6-18(7-4-16)27(30)31)34-14-20(25(19)28)17-5-8-21-24(12-17)33-10-9-32-21/h3-8,11-14H,2,9-10H2,1H3	C26H19NO8	473.431	9	0	114.2	5	6	1	-0.0757999999999999	5.91085	3.33	5.761	48.5001	134.2585	3.2394	410.814376171591
Cond-001841	NPD1951	NPD1951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.078831258	COCCCN1C(c2ccc[nH+]c2)/C(=C(\[O-])/c2c(C)cc(OCC(C)C)cc2)/C(=O)C1=O	InChI=1S/C25H30N2O5/c1-16(2)15-32-19-8-9-20(17(3)13-19)23(28)21-22(18-7-5-10-26-14-18)27(11-6-12-31-4)25(30)24(21)29/h5,7-10,13-14,16,22,28H,6,11-12,15H2,1-4H3/b23-21+	C25H30N2O5	438.516	7	1	93.04	3	9	0	-2.6058	1.10691000000001	3.44	3.837	70.3646	118.388	3.4114	424.303223857008
Cond-001842	NPD1952	NPD1952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9580950967	COc1cc(cc(OC)c1OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1cc(C)c(OC)cc1	InChI=1S/C26H32N2O7/c1-15-12-16(8-9-18(15)32-4)23(29)21-22(28(11-10-27(2)3)26(31)24(21)30)17-13-19(33-5)25(35-7)20(14-17)34-6/h8-9,12-14,22,29H,10-11H2,1-7H3/b23-21+	C26H32N2O7	484.541	9	1	101.8	3	9	0	-2.699	0.383100000000005	3.33	2.25	80.1947	130.5207	3.6697	459.179661883997
Cond-001843	NPD1953	NPD1953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4444686675	CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)NCC(C)(C)C(O)C(=O)O	InChI=1S/C36H54N2O11/c1-19(2)29(31(45)37-18-33(3,4)30(44)32(46)47)38-26(42)9-10-27(43)49-17-25(41)36(48)14-12-23-22-8-7-20-15-21(39)11-13-34(20,5)28(22)24(40)16-35(23,36)6/h15,19,22-24,28-30,40,44,48H,7-14,16-18H2,1-6H3,(H,37,45)(H,38,42)(H,46,47)/t22?,23?,24?,28?,29?,30?,34?,35?,36-/m0/s1	C36H54N2O11	690.821	13	6	216.63	4	16	3	-1.468	2.00148000000001	3.99	0.203000000000001	173.1094	178.4246	5.29090000000001	682.016873645705
Cond-001844	NPD1954	NPD1954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5087694008	CC(C)c1ccc(cc1)n1c([S-])nc(=O)c(C2[NH+](C)CCc3cc4c(OCO4)cc23)c1O	InChI=1S/C24H25N3O4S/c1-13(2)14-4-6-16(7-5-14)27-23(29)20(22(28)25-24(27)32)21-17-11-19-18(30-12-31-19)10-15(17)8-9-26(21)3/h4-7,10-11,13,21,29H,8-9,12H2,1-3H3,(H,25,28,32)	C24H25N3O4S	451.538	7	2	75.8	5	3	1	-1.4173	3.11445	3.22	5.29	62.8568	128.7305	3.2579	403.009879394747
Cond-001845	NPD1955	NPD1955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1556795611	Oc1c(Br)cc(cc1Br)C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]	InChI=1S/C18H14Br2N2O3/c19-11-5-8(6-12(20)17(11)23)15-16-10(7-14(22-15)18(24)25)9-3-1-2-4-13(9)21-16/h1-6,14-15,21-23H,7H2,(H,24,25)	C18H14Br2N2O3	466.123	5	4	92.76	4	2	0	-1.6097	1.52528	2.67	3.308	39.5904	101.0842	2.5921	303.598116029951
Cond-001846	NPD1956	NPD1956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.14726934	COCCCN1C(/C(=C(\O)/c2ccc(C)o2)/C(=O)C1=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C23H27NO8/c1-13-7-8-15(32-13)20(25)18-19(24(9-6-10-28-2)23(27)21(18)26)14-11-16(29-3)22(31-5)17(12-14)30-4/h7-8,11-12,19,25H,6,9-10H2,1-5H3/b20-18+	C23H27NO8	445.462	9	1	107.67	3	9	0	-1.4265	2.4825	3	2.163	75.8402	117.7808	3.2489	407.721633199591
Cond-001847	NPD1957	NPD1957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.951085067	COc1c(cccc1)c1coc2c(C[NH+]3CCN(C)CC3)c([O-])ccc2c1=O	InChI=1S/C22H24N2O4/c1-23-9-11-24(12-10-23)13-17-19(25)8-7-16-21(26)18(14-28-22(16)17)15-5-3-4-6-20(15)27-2/h3-8,14,25H,9-13H2,1-2H3	C22H24N2O4	380.437	6	1	66.27	4	4	0	-2.783	0.716980000000004	3.22	2.231	54.7768	107.2457	2.8644	353.905043278847
Cond-001848	NPD1958	NPD1958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7507802894	Oc1c(Br)cc(Br)cc1C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]	InChI=1S/C18H14Br2N2O3/c19-8-5-11(17(23)12(20)6-8)16-15-10(7-14(22-16)18(24)25)9-3-1-2-4-13(9)21-15/h1-6,14,16,21-23H,7H2,(H,24,25)	C18H14Br2N2O3	466.123	5	4	92.76	4	2	0	-1.6097	1.95058	2.67	3.308	39.5904	103.7694	2.5921	303.598116029951
Cond-001849	NPD1959	NPD1959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2684155706	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4c(Cl)cccc4)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C44H48ClNO13/c1-20-13-12-14-21(2)42(53)46-29-19-30(48)32-33(37(29)51)39(58-43(54)27-15-10-11-16-28(27)45)25(6)40-34(32)41(52)44(8,59-40)56-18-17-31(55-9)22(3)38(57-26(7)47)24(5)36(50)23(4)35(20)49/h10-20,22-24,31,35-36,38,49-50H,1-9H3,(H,46,53)/b13-12-,18-17-,21-14-/t20-,22+,23+,24-,31-,35-,36-,38+,44-/m0/s1	C44H48ClNO13	834.304	14	3	201.06	4	6	2	0.153600000000003	5.74557000000001	4.65	5.108	168.271	217.153799999999	6.06250000000002	784.294924608026
Cond-001850	NPD196	NPD196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9249260708	OC(=O)CC(C(=O)O)c1ccc(OCCOc2ccc(cc2)C(CC(=O)O)C(=O)O)cc1	InChI=1S/C22H22O10/c23-19(24)11-17(21(27)28)13-1-5-15(6-2-13)31-9-10-32-16-7-3-14(4-8-16)18(22(29)30)12-20(25)26/h1-8,17-18H,9-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)	C22H22O10	446.404	10	4	167.66	2	13	1	-1.464	3.16488	2.78	1.772	57.8814	114.4372	3.1482	404.09288306588
Cond-001851	NPD1960	NPD1960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.749956684	COc1ccc(cc1OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1cc(C)c(OCC(C)C)cc1	InChI=1S/C29H38N2O6/c1-18(2)17-37-22-11-10-21(15-19(22)3)27(32)25-26(20-9-12-23(35-6)24(16-20)36-7)31(29(34)28(25)33)14-8-13-30(4)5/h9-12,15-16,18,26,32H,8,13-14,17H2,1-7H3/b27-25+	C29H38N2O6	510.622	8	1	92.57	3	11	1	-2.453	1.79080000000001	3.77	4.13	89.0738	142.3667	4.0337	502.277389061037
Cond-001852	NPD1961	NPD1961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2776963692	CCOC1=C/C(=C\2/C=C(Nc3cc(C)c(C)cc3)c3c(C)oc(C)c3C(=C2)OCC)/C=CC1=O	InChI=1S/C29H31NO4/c1-7-32-26-15-21(10-12-25(26)31)22-14-24(30-23-11-9-17(3)18(4)13-23)28-19(5)34-20(6)29(28)27(16-22)33-8-2/h9-16,30H,7-8H2,1-6H3/b22-21-	C29H31NO4	457.561	5	1	60.7	4	6	1	2.2226	5.87422000000001	4.1	6.388	103.0143	135.0417	3.6219	456.070799349347
Cond-001853	NPD1962	NPD1962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.987747828	COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1cc(C)c(OCC(C)C)cc1	InChI=1S/C28H36N2O6/c1-17(2)16-36-22-11-9-20(14-18(22)3)26(32)24-25(19-8-10-21(31)23(15-19)35-6)30(28(34)27(24)33)13-7-12-29(4)5/h8-11,14-15,17,25,31-32H,7,12-13,16H2,1-6H3/b26-24+	C28H36N2O6	496.595	8	2	103.57	3	10	0	-2.8615	1.48780000000001	3.66	3.611	84.3226	137.4795	3.8928	484.98140443517
Cond-001854	NPD1963	NPD1963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5728023642	COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)NC(=O)N=C1O	InChI=1S/C17H16N4O5/c1-26-16(24)13(6-9-7-18-12-5-3-2-4-10(9)12)19-8-11-14(22)20-17(25)21-15(11)23/h2-5,7-8,13,18-19H,6H2,1H3,(H2,20,21,22,23,25)	C17H16N4O5	356.333	9	4	132.88	3	6	0	-2.1408	0.27696	2.34	1.996	55.7773	97.5002	2.4838	307.928867266407
Cond-001855	NPD1964	NPD1964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.756731662	COc1ccccc1CC(O)CC1c2c(CC[N+]1(C)C)cc1OCOc1c2OC	InChI=1S/C23H30NO5/c1-24(2)10-9-16-12-20-22(29-14-28-20)23(27-4)21(16)18(24)13-17(25)11-15-7-5-6-8-19(15)26-3/h5-8,12,17-18,25H,9-11,13-14H2,1-4H3/q+1	C23H30NO5+	400.488	6	1	57.15	4	6	0	-2.1651	3.81499000000001	3.33	2.702	59.7985	113.4692	3.0717	375.585641149108
Cond-001856	NPD1965	NPD1965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.408966412	COc1c(OC)cc(cc1)C1N(CCC(=O)O)C(=O)C(=O)/C/1=C(/O)\c1ccc(Cl)cc1	InChI=1S/C22H20ClNO7/c1-30-15-8-5-13(11-16(15)31-2)19-18(20(27)12-3-6-14(23)7-4-12)21(28)22(29)24(19)10-9-17(25)26/h3-8,11,19,27H,9-10H2,1-2H3,(H,25,26)/b20-18+	C22H20ClNO7	445.85	8	2	113.37	3	7	0	-0.792600000000001	2.96368	2.89	2.968	63.6173	113.6636	3.0857	391.573572241996
Cond-001857	NPD1966	NPD1966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0864965775	CCOC(=O)c1c(c(=O)c2ccc([O-])c(C[NH+]3CCCC(C)C3)c2o1)c1c(OC)cccc1	InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-9-5-6-10-21(17)31-3)23(29)18-11-12-20(28)19(24(18)33-25)15-27-13-7-8-16(2)14-27/h5-6,9-12,16,28H,4,7-8,13-15H2,1-3H3	C26H29NO6	451.512	7	1	89.33	4	7	0	-2.4849	3.67057000000001	3.55	4.121	69.0246	127.1872	3.4026	427.036216274469
Cond-001858	NPD1967	NPD1967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.302531365	COc1ccc(CCNC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1	InChI=1S/C21H20N2O4/c1-27-15-7-5-13(6-8-15)9-11-22-20(25)17-19(24)16-4-2-3-14-10-12-23(18(14)16)21(17)26/h2-8,26H,9-12H2,1H3,(H,22,25)	C21H20N2O4	364.394	6	2	78.87	4	6	1	-0.237600000000001	3.06967	3.11	5.454	50.7464	104.582	2.6805	333.97259995218
Cond-001859	NPD1968	NPD1968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.1095242599	CCOC1=C/C(=C/2\C=CC(=O)C=C2)/C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c12	InChI=1S/C26H25NO4/c1-5-30-24-15-19(18-6-10-21(28)11-7-18)14-23(25-16(2)31-17(3)26(24)25)27-20-8-12-22(29-4)13-9-20/h6-15,27H,5H2,1-4H3	C26H25NO4	415.481	5	1	60.7	4	5	0	1.0283	5.46258000000001	3.77	4.635	88.3135	123.7447	3.1992	404.182845471747
Cond-001860	NPD1969	NPD1969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.73939893	OC(COCc1ccccc1)C[NH+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H26N2O3/c24-19(15-26-14-16-5-2-1-3-6-16)13-22-10-17-9-18(12-22)20-7-4-8-21(25)23(20)11-17/h1-8,17-19,24H,9-15H2/p+1/t17-,18+,19?/m1/s1	C21H27N2O3+	355.451	5	2	54.21	4	6	0	-2.8416	0.12777	3.22	1.875	73.6571	100.1485	2.7723	345.309978704419
Cond-001861	NPD197	NPD197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2001364674	O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCc1ccccc1	InChI=1S/C22H25N3O3/c26-20(23-12-16-5-2-1-3-6-16)9-10-21(27)24-13-17-11-18(15-24)19-7-4-8-22(28)25(19)14-17/h1-8,17-18H,9-15H2,(H,23,26)/t17-,18+/m1/s1	C22H25N3O3	379.452	6	1	69.72	4	7	0	-1.9561	1.59037	3.22	1.845	80.6325	106.5827	2.9055	367.011576786452
Cond-001862	NPD1970	NPD1970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.654531562	COC(=O)c1c(NC(=O)c2c(O)n3CCCc4c3c(ccc4)c2=O)cccc1	InChI=1S/C21H18N2O5/c1-28-21(27)13-8-2-3-10-15(13)22-19(25)16-18(24)14-9-4-6-12-7-5-11-23(17(12)14)20(16)26/h2-4,6,8-10,26H,5,7,11H2,1H3,(H,22,25)	C21H18N2O5	378.378	7	2	95.94	4	5	1	-0.923	3.25207	3	5.295	49.5802	105.681	2.6962	340.126367951941
Cond-001863	NPD1971	NPD1971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.9317578973	[C@@H]12[C@H](C)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1cc(ccc1C)N(=O)=O	InChI=1S/C21H18N4O5/c1-10-7-8-12(25(29)30)9-15(10)24-18(26)16-11(2)23-21(17(16)19(24)27)13-5-3-4-6-14(13)22-20(21)28/h3-9,11,16-17,23H,1-2H3,(H,22,28)/t11-,16+,17-,21+/m0/s1	C21H18N4O5	406.391	9	2	121.65	5	2	0	-1.0848	2.55611	2.78	2.52	51.3594	111.0944	2.7872	349.763429667474
Cond-001864	NPD1972	NPD1972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.5953206455	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1cc(ccc1)N(=O)=O)C2=O)[nH]c1ccccc31	InChI=1S/C21H17N5O4/c27-20-12-25(22-10-13-4-3-5-14(8-13)26(29)30)21(28)19-9-16-15-6-1-2-7-17(15)23-18(16)11-24(19)20/h1-8,10,19,23H,9,11-12H2/b22-10+/t19-/m1/s1	C21H17N5O4	403.391	9	1	111.91	5	3	0	-1.349	2.28237	2.78	3.817	47.0864	115.982	2.7853	338.43350447428
Cond-001865	NPD1973	NPD1973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7201511518	[C@H]12C=C(C)c3c(ccc(C)c3)N1[C@H](C(=O)c1ccccc1)[C@@H](C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C38H34N2O6/c1-21-15-16-28-25(17-21)22(2)18-31-38(26-13-9-10-14-27(26)39-37(38)43)32(33(40(28)31)35(42)23-11-7-6-8-12-23)34(41)24-19-29(44-3)36(46-5)30(20-24)45-4/h6-20,31-33H,1-5H3,(H,39,43)/t31-,32+,33+,38-/m1/s1	C38H34N2O6	614.686	8	1	94.17	7	7	1	-0.470400000000001	6.63789	4.76	7.081	76.0444	177.652699999999	4.56640000000001	568.260204985035
Cond-001866	NPD1974	NPD1974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0682056663	CC(=O)N1C(CC2CC=C(C)C2(C)C)C2=C(O)CC(C)(C)CC2=Nc2c1cccc2	InChI=1S/C26H34N2O2/c1-16-11-12-18(26(16,5)6)13-22-24-20(14-25(3,4)15-23(24)30)27-19-9-7-8-10-21(19)28(22)17(2)29/h7-11,18,22,30H,12-15H2,1-6H3	C26H34N2O2	406.56	4	1	52.9	4	3	1	2.0387	7.01985000000001	3.88	6.256	96.8447	127.3588	3.3536	419.044987081992
Cond-001867	NPD1975	NPD1975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0581423286	CC1CC[NH+](Cc2c3oc(=O)c(cc3ccc2[O-])c2nc3c(cccc3)n2C)CC1	InChI=1S/C24H25N3O3/c1-15-9-11-27(12-10-15)14-18-21(28)8-7-16-13-17(24(29)30-22(16)18)23-25-19-5-3-4-6-20(19)26(23)2/h3-8,13,15,28H,9-12,14H2,1-2H3	C24H25N3O3	403.474	6	1	71.62	5	3	0	-2.3492	4.16025000000001	3.44	3.817	52.48	121.1917	3.0357	364.810628636586
Cond-001868	NPD1976	NPD1976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3044465078	CC(C)COCC1CC2(CC(C)(OC2=O)c2cs/c(=N\c3ccc(C)cc3)/[nH]2)C(=O)O1	InChI=1S/C23H28N2O5S/c1-14(2)10-28-11-17-9-23(19(26)29-17)13-22(4,30-20(23)27)18-12-31-21(25-18)24-16-7-5-15(3)6-8-16/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,24,25)	C23H28N2O5S	444.544	7	1	111.52	4	6	1	1.1522	3.61779	3.11	5.054	92.4519	121.4757	3.2705	412.036737363675
Cond-001869	NPD1977	NPD1977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6962361695	CCOC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(O)nc1ccc(C)cc21	InChI=1S/C22H20N2O4/c1-3-27-22(26)18-16(13-7-5-4-6-8-13)17-19(28-20(18)23)14-11-12(2)9-10-15(14)24-21(17)25/h4-11,16H,3,23H2,1-2H3,(H,24,25)	C22H20N2O4	376.405	6	3	94.67	4	4	1	-0.113200000000001	4.33019	3.22	6.369	40.9769	109.2212	2.7784	337.732125877246
Cond-001870	NPD1978	NPD1978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0759324621	COc1cc(/C=N/N=c/2\[nH]c3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O	InChI=1S/C18H21N7O6/c1-30-10-4-8(2-3-9(10)27)5-22-24-18-23-12-15(19)20-7-21-16(12)25(18)17-14(29)13(28)11(6-26)31-17/h2-5,7,11,13-14,17,26-29H,6H2,1H3,(H,23,24)(H2,19,20,21)/b22-5+/t11-,13-,14-,17-/m1/s1	C18H21N7O6	431.403	13	7	191.17	4	5	2	-3.3081	0.107560000000002	2.01	1.024	60.2495	114.5125	2.9172	357.285359217335
Cond-001871	NPD1979	NPD1979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.810176125	CCc1c(OC(=O)c2cccc(c2)N(=O)=O)cc2occ(c(=O)c2c1)c1ccc2OCCOc2c1	InChI=1S/C26H19NO8/c1-2-15-11-19-23(13-22(15)35-26(29)17-4-3-5-18(10-17)27(30)31)34-14-20(25(19)28)16-6-7-21-24(12-16)33-9-8-32-21/h3-7,10-14H,2,8-9H2,1H3	C26H19NO8	473.431	9	0	114.2	5	6	1	-0.0757999999999999	5.91085	3.33	5.761	48.5001	134.2585	3.2394	410.814376171591
Cond-001872	NPD198	NPD198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9174662127	COC(=O)COc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1	InChI=1S/C20H18O7/c1-12-20(27-15-6-4-5-13(9-15)23-2)19(22)16-8-7-14(10-17(16)26-12)25-11-18(21)24-3/h4-10H,11H2,1-3H3	C20H18O7	370.353	7	0	80.29	3	7	0	-0.9548	4.79505	2.89	3.73	48.776	104.3895	2.6247	333.410233712463
Cond-001873	NPD1980	NPD1980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0091576839	CC(C)c1ccc(/C=C/C23N=C(O)CCN2c2ccccc2C3(C)C)cc1	InChI=1S/C24H28N2O/c1-17(2)19-11-9-18(10-12-19)13-15-24-23(3,4)20-7-5-6-8-21(20)26(24)16-14-22(27)25-24/h5-13,15,17H,14,16H2,1-4H3,(H,25,27)/b15-13+	C24H28N2O	360.492	3	1	35.83	4	3	1	1.9529	6.02188000000001	3.77	8.473	61.1475	113.1528	2.9701	362.126332428897
Cond-001874	NPD1981	NPD1981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.236142784	CCn1c(=S)[nH]c(O)c(C(c2ccc(OC)c(C[NH+]3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c2)c2c(O)nc([S-])n(CC)c2=O)c1=O	InChI=1S/C32H36N6O6S2/c1-4-36-29(42)25(27(40)33-31(36)45)24(26-28(41)34-32(46)37(5-2)30(26)43)18-9-10-22(44-3)20(12-18)16-35-13-17-11-19(15-35)21-7-6-8-23(39)38(21)14-17/h6-10,12,17,19,24,40-41H,4-5,11,13-16H2,1-3H3,(H,33,45)(H,34,46)/t17-,19+/m0/s1	C32H36N6O6S2	664.795	12	4	171.54	6	8	0	-1.0838	1.18884	3.44	0.945	142.9458	179.835	4.7278	601.091679681701
Cond-001875	NPD1982	NPD1982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2046120679	CCOc1ccccc1n1c(=O)c(C2NCCc3c2[nH]c2c3cccc2)c(O)nc1O	InChI=1S/C23H22N4O4/c1-2-31-17-10-6-5-9-16(17)27-22(29)18(21(28)26-23(27)30)20-19-14(11-12-24-20)13-7-3-4-8-15(13)25-19/h3-10,20,24-25,28H,2,11-12H2,1H3,(H,26,30)	C23H22N4O4	418.445	8	4	110.18	5	4	0	-0.458200000000001	3.65085	3.11	3.367	56.1076	122.4693	3.0103	364.665172218647
Cond-001876	NPD1983	NPD1983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2497638253	COc1ccc(cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1	InChI=1S/C27H26N2O5/c1-17-5-10-25-18(11-17)12-20(26(30)28-25)16-29(21-6-8-22(32-2)9-7-21)27(31)19-13-23(33-3)15-24(14-19)34-4/h5-15H,16H2,1-4H3,(H,28,30)	C27H26N2O5	458.506	7	1	77.1	4	8	1	-0.499200000000001	5.60128	3.66	5.106	56.1432	133.7532	3.4556	427.729358305541
Cond-001877	NPD1984	NPD1984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4089481567	CCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccc(OC)cc1	InChI=1S/C31H30N2O5/c1-4-28(35)33-26-8-6-5-7-24(26)32-25-17-22(19-13-15-23(37-2)16-14-19)18-27(34)29(25)30(33)20-9-11-21(12-10-20)31(36)38-3/h5-16,22,30,34H,4,17-18H2,1-3H3	C31H30N2O5	510.58	7	1	88.43	5	7	1	-1.2451	5.89307000000001	4.1	6.026	70.116	149.2488	3.8676	481.920379407408
Cond-001878	NPD1985	NPD1985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.588489068	COCCN1C(c2cc[nH+]cc2)/C(=C(\[O-])/c2c(C)cc(OCC(C)C)cc2)/C(=O)C1=O	InChI=1S/C24H28N2O5/c1-15(2)14-31-18-5-6-19(16(3)13-18)22(27)20-21(17-7-9-25-10-8-17)26(11-12-30-4)24(29)23(20)28/h5-10,13,15,21,27H,11-12,14H2,1-4H3/b22-20+	C24H28N2O5	424.49	7	1	93.04	3	8	0	-2.3178	0.716810000000004	3.33	3.479	67.453	113.771	3.2705	407.007239231141
Cond-001879	NPD1986	NPD1986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1418532136	COc1c2OCOc2cc2c1C([NH+](C)CC2)c1c(O)nc([S-])n(c1=O)c1c(Cl)cccc1	InChI=1S/C22H20ClN3O5S/c1-25-8-7-11-9-14-18(31-10-30-14)19(29-2)15(11)17(25)16-20(27)24-22(32)26(21(16)28)13-6-4-3-5-12(13)23/h3-6,9,17,27H,7-8,10H2,1-2H3,(H,24,32)	C22H20ClN3O5S	473.929	8	2	85.03	5	3	0	-0.6515	3.20855	2.78	1.855	61.7204	128.5305	3.1572	392.419204614008
Cond-001880	NPD1988	NPD1988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.609597989	Oc1c(C(=O)NCc2ccc3OCOc3c2)c(=O)c2c3n1CCc3ccc2	InChI=1S/C20H16N2O5/c23-18-13-3-1-2-12-6-7-22(17(12)13)20(25)16(18)19(24)21-9-11-4-5-14-15(8-11)27-10-26-14/h1-5,8,25H,6-7,9-10H2,(H,21,24)	C20H16N2O5	364.351	7	2	88.1	5	4	0	-0.7441	2.90856	2.89	4.579	46.4509	100.591	2.4897	313.110383326074
Cond-001881	NPD1989	NPD1989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9690721649	COc1ccc(cc1C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(c1c(O)[nH]c(=S)n(c1=O)c1ccccc1)c1c(O)nc([S-])n(c1=O)c1ccccc1	InChI=1S/C40H36N6O6S2/c1-52-30-16-15-24(18-26(30)22-43-19-23-17-25(21-43)29-13-8-14-31(47)44(29)20-23)32(33-35(48)41-39(53)45(37(33)50)27-9-4-2-5-10-27)34-36(49)42-40(54)46(38(34)51)28-11-6-3-7-12-28/h2-16,18,23,25,32,48-49H,17,19-22H2,1H3,(H,41,53)(H,42,54)/t23-,25+/m0/s1	C40H36N6O6S2	760.88	12	4	171.54	8	8	1	-1.7892	4.61242000000001	4.32	5.185	122.9648	213.765	5.37980000000001	677.127887082233
Cond-001882	NPD199	NPD199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7833488084	CC(C)Oc1cc2c(cc1)c(=O)c(c(C)o2)c1cc2c(OCCCO2)cc1	InChI=1S/C22H22O5/c1-13(2)26-16-6-7-17-19(12-16)27-14(3)21(22(17)23)15-5-8-18-20(11-15)25-10-4-9-24-18/h5-8,11-13H,4,9-10H2,1-3H3	C22H22O5	366.407	5	0	53.99	4	3	0	-0.8279	4.92787	3.33	4.336	53.5124	105.828	2.7235	340.701749563074
Cond-001883	NPD1990	NPD1990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.35317188	COCCCN1C(/C(=C(\O)/c2ccc(C)cc2)/C(=O)C1=O)c1ccc(OC)c(OC)c1	InChI=1S/C24H27NO6/c1-15-6-8-16(9-7-15)22(26)20-21(17-10-11-18(30-3)19(14-17)31-4)25(12-5-13-29-2)24(28)23(20)27/h6-11,14,21,26H,5,12-13H2,1-4H3/b22-20+	C24H27NO6	425.474	7	1	85.3	3	8	0	-1.0181	2.9001	3.33	4.456	66.6749	116.5338	3.2294	404.800705723536
Cond-001884	NPD1991	NPD1991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5472106098	Cn1c(nc2c1cccc2)c1cc2ccc([O-])c(C[NH+]3CCCCCC3)c2oc1=O	InChI=1S/C24H25N3O3/c1-26-20-9-5-4-8-19(20)25-23(26)17-14-16-10-11-21(28)18(22(16)30-24(17)29)15-27-12-6-2-3-7-13-27/h4-5,8-11,14,28H,2-3,6-7,12-13,15H2,1H3	C24H25N3O3	403.474	6	1	71.62	5	3	0	-3.0586	4.30435000000001	3.44	3.667	49.7679	121.2617	3.0357	364.810628636586
Cond-001885	NPD1992	NPD1992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4990215264	Cc1c(O)c2c(COC2c2c(O)n(c(S)nc2=O)c2ccccc2Cl)cn1	InChI=1S/C18H14ClN3O4S/c1-8-14(23)12-9(6-20-8)7-26-15(12)13-16(24)21-18(27)22(17(13)25)11-5-3-2-4-10(11)19/h2-6,15,23,25H,7H2,1H3,(H,21,24,27)	C18H14ClN3O4S	403.839	7	2	134.05	4	2	0	0.4789	3.93158	2.45	3.199	55.1918	108.7558	2.6435	326.801498110779
Cond-001886	NPD1993	NPD1993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.989438752	COc1c2OCOc2cc2c1C(N(C)CC2)c1c(O)n(c(=S)nc1O)c1cccc2ccccc12	InChI=1S/C26H23N3O5S/c1-28-11-10-15-12-18-22(34-13-33-18)23(32-2)19(15)21(28)20-24(30)27-26(35)29(25(20)31)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12,21,31H,10-11,13H2,1-2H3,(H,27,30,35)	C26H23N3O5S	489.543	8	2	119.08	6	3	1	0.1979	5.80577000000001	3.33	5.113	69.0715	140.6996	3.4038	417.862699244641
Cond-001887	NPD1994	NPD1994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2179389219	COC(=O)c1ccc(cc1)C1C2=C(Nc3c1c(=O)nc(O)n3C)c1c(cccc1)C2=O	InChI=1S/C23H17N3O5/c1-26-20-17(21(28)25-23(26)30)15(11-7-9-12(10-8-11)22(29)31-2)16-18(24-20)13-5-3-4-6-14(13)19(16)27/h3-10,15,24H,1-2H3,(H,25,28,30)	C23H17N3O5	415.398	8	2	108.3	5	3	1	-1.242	2.24026	3.11	5.317	61.2631	113.9365	2.8832	368.085721309441
Cond-001888	NPD1995	NPD1995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9486713659	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccc(C)cc4)c4C(=O)C(=C(Nc5cc(C)cc(C)c5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C53H60N2O13/c1-25-16-18-35(19-17-25)52(63)67-48-33(9)49-40-38-39(48)46(60)42(41(45(38)59)54-36-23-26(2)22-27(3)24-36)55-51(62)29(5)15-13-14-28(4)43(57)31(7)44(58)32(8)47(66-34(10)56)30(6)37(64-12)20-21-65-53(11,68-49)50(40)61/h13-24,28,30-32,37,43-44,47,54,57-58H,1-12H3,(H,55,62)/b14-13-,21-20-,29-15-/t28-,30+,31+,32-,37-,43-,44-,47+,53-/m0/s1	C53H60N2O13	933.049	15	4	213.09	5	8	2	0.5748	7.66220000000001	5.64	9.346	181.8645	254.109499999999	7.07040000000002	904.578643875359
Cond-001889	NPD1996	NPD1996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2877324492	CCc1c([O-])c(C[NH+]2CCCCCC2)c2oc(C)c(c3nc4c(cccc4)n3C)c(=O)c2c1	InChI=1S/C27H31N3O3/c1-4-18-15-19-25(32)23(27-28-21-11-7-8-12-22(21)29(27)3)17(2)33-26(19)20(24(18)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,31H,4-6,9-10,13-14,16H2,1-3H3	C27H31N3O3	445.553	6	1	71.62	5	4	0	-3.0858	4.75606000000001	3.77	4.196	65.852	133.1957	3.4584	416.698582514186
Cond-001890	NPD1997	NPD1997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.235513286	COCCCN1C(/C(=C(\O)/c2ccc(OC)cc2)/C(=O)C1=O)c1ccc(O)c(OC)c1	InChI=1S/C23H25NO7/c1-29-12-4-11-24-20(15-7-10-17(25)18(13-15)31-3)19(22(27)23(24)28)21(26)14-5-8-16(30-2)9-6-14/h5-10,13,20,25-26H,4,11-12H2,1-3H3/b21-19+	C23H25NO7	427.447	8	2	105.53	3	8	0	-2.1204	2.57768	3.11	2.537	63.7374	114.5586	3.1472	396.29494779823
Cond-001891	NPD1998	NPD1998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.42141744	CCOC1=C/C(=C/2\C=CC(=O)C(=C2)OC)/C=C(Nc2cc(C)c(C)cc2)c2c(C)oc(C)c12	InChI=1S/C28H29NO4/c1-7-32-26-15-21(20-9-11-24(30)25(14-20)31-6)13-23(27-18(4)33-19(5)28(26)27)29-22-10-8-16(2)17(3)12-22/h8-15,29H,7H2,1-6H3/b21-20+	C28H29NO4	443.534	5	1	60.7	4	5	1	1.9722	5.48412000000001	3.99	5.965	98.7205	130.4247	3.481	438.77481472348
Cond-001892	NPD1999	NPD1999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.43180704	COCCN1C(/C(=C(\O)/c2ccc(C)o2)/C(=O)C1=O)c1ccc(OC)c(OC)c1	InChI=1S/C21H23NO7/c1-12-5-7-15(29-12)19(23)17-18(22(9-10-26-2)21(25)20(17)24)13-6-8-14(27-3)16(11-13)28-4/h5-8,11,18,23H,9-10H2,1-4H3/b19-17+	C21H23NO7	401.41	8	1	98.44	3	7	0	-1.0867	2.0838	2.89	2.249	65.6128	106.6118	2.9084	364.339437247296
Cond-001893	NPD2	NPD2	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9774873605	[C@H](CCCNC(=N)NN(=O)=O)(NC(=O)CNC(=O)c1ccccc1)C(=O)O	InChI=1S/C15H20N6O6/c16-15(20-21(26)27)17-8-4-7-11(14(24)25)19-12(22)9-18-13(23)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,23)(H,19,22)(H,24,25)(H3,16,17,20)/t11-/m1/s1	C15H20N6O6	380.356	12	6	186.55	1	14	2	-2.2421	-0.83544	1.79	2.469	55.6122	98.5518000000001	2.7205	342.370021233968
Cond-001894	NPD20	NPD20	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8291390402	C1CC=C2C(C1)C(OC1=C2CCC/C/1=C\c1ccccc1)c1ccccc1	InChI=1S/C26H26O/c1-3-10-19(11-4-1)18-21-14-9-17-24-22-15-7-8-16-23(22)25(27-26(21)24)20-12-5-2-6-13-20/h1-6,10-13,15,18,23,25H,7-9,14,16-17H2/b21-18+	C26H26O	354.484	1	0	9.23	5	2	1	-0.0808000000000003	6.33457000000001	4.21	9.595	58.9006	108.608	2.9007	359.731863862697
Cond-001895	NPD200	NPD200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.2649934408	COC(=O)c1ccc(COc2ccc3c(oc(=O)c(Cc4ccccc4)c3C)c2)cc1	InChI=1S/C26H22O5/c1-17-22-13-12-21(30-16-19-8-10-20(11-9-19)25(27)29-2)15-24(22)31-26(28)23(17)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3	C26H22O5	414.45	5	0	61.83	4	7	1	0.952399999999999	5.19987000000001	3.77	7.498	42.5929	120.4165	3.1151	388.439853263341
Cond-001896	NPD2000	NPD2000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0714534924	CNc1ccccc1C(=O)/N=C(\N)/N=c\1/[nH]c2c(cc(OC)cc2)c(C)n1	InChI=1S/C19H20N6O2/c1-11-14-10-12(27-3)8-9-16(14)23-19(22-11)25-18(20)24-17(26)13-6-4-5-7-15(13)21-2/h4-10,21H,1-3H3,(H3,20,22,23,24,25,26)	C19H20N6O2	364.401	8	4	113.46	3	5	0	-2.4441	2.14396	2.67	2.446	50.0809	113.6708	2.7461	335.507218131991
Cond-001897	NPD2001	NPD2001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.4462873056	CCCOCC1CC2(CC(C)(OC2=O)c2cs/c(=N/c3ccccc3)/[nH]2)C(=O)O1	InChI=1S/C21H24N2O5S/c1-3-9-26-11-15-10-21(17(24)27-15)13-20(2,28-18(21)25)16-12-29-19(23-16)22-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,22,23)	C21H24N2O5S	416.491	7	1	111.52	4	6	0	-0.2994	3.34377	2.89	4.434	81.4923	113.2887	2.9887	377.444768111941
Cond-001898	NPD2002	NPD2002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.95994676	COC(=O)c1ccc(cc1)C1C2=C(N=c3n(C)c(=O)n(C)c(O)c13)c1c(cccc1)C2=O	InChI=1S/C24H19N3O5/c1-26-21-18(22(29)27(2)24(26)31)16(12-8-10-13(11-9-12)23(30)32-3)17-19(25-21)14-6-4-5-7-15(14)20(17)28/h4-11,16,29H,1-3H3	C24H19N3O5	429.425	8	1	99.51	5	3	0	-0.584400000000001	3.13557	3.22	3.665	66.3598	119.7933	3.0241	385.381705935308
Cond-001899	NPD2003	NPD2003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4795678609	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4c(Cl)cccc4)c4C(=O)C(=C(Cc5cc(C)cc(C)c5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C53H58ClNO13/c1-25-21-26(2)23-34(22-25)24-36-42-46(60)40-39(45(36)59)41-49(32(8)48(40)67-52(63)35-17-12-13-18-37(35)54)68-53(10,50(41)61)65-20-19-38(64-11)29(5)47(66-33(9)56)31(7)44(58)30(6)43(57)27(3)15-14-16-28(4)51(62)55-42/h12-23,27,29-31,38,43-44,47,57-58H,24H2,1-11H3,(H,55,62)/b15-14-,20-19-,28-16-/t27-,29+,30+,31-,38-,43-,44-,47+,53-/m0/s1	C53H58ClNO13	952.48	14	3	201.06	5	8	2	1.8049	7.86059000000001	5.64	9.306	182.7312	255.317799999999	7.09300000000002	908.792951437626
Cond-001900	NPD2004	NPD2004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.534246575	C[NH+](C)Cc1c2oc(C)c(c3nc4c(s3)cccc4)c(=O)c2ccc1[O-]	InChI=1S/C20H18N2O3S/c1-11-17(20-21-14-6-4-5-7-16(14)26-20)18(24)12-8-9-15(23)13(10-22(2)3)19(12)25-11/h4-9,23H,10H2,1-3H3	C20H18N2O3S	366.434	5	1	94.93	4	3	0	-1.5842	3.19707	3	2.789	45.0229	105.3287	2.6444	315.495412683352
Cond-001901	NPD2005	NPD2005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5845946855	COc1ccc(cc1)/C(=C\1/C(N(CCCO)C(=O)C1=O)c1ccccc1)/O	InChI=1S/C21H21NO5/c1-27-16-10-8-15(9-11-16)19(24)17-18(14-6-3-2-4-7-14)22(12-5-13-23)21(26)20(17)25/h2-4,6-11,18,23-24H,5,12-13H2,1H3/b19-17+	C21H21NO5	367.395	6	2	87.07	3	6	0	-2.0168	2.20938	3.11	4.058	49.1058	101.5516	2.748	344.122525145374
Cond-001902	NPD2006	NPD2006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.070399341	OC(Cn1c2c(CCCC2)c2c1cccc2)C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C26H31N3O2/c30-20(17-28-24-8-3-1-6-21(24)22-7-2-4-9-25(22)28)16-27-13-18-12-19(15-27)23-10-5-11-26(31)29(23)14-18/h1,3,5-6,8,10-11,18-20,30H,2,4,7,9,12-17H2/p+1/t18-,19+,20?/m0/s1	C26H32N3O2+	418.551	5	2	49.91	6	4	0	-2.9439	2.18936000000001	3.77	2.832	85.3642	124.4275	3.2577	395.747059238958
Cond-001903	NPD2007	NPD2007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.830222925	CCC(C)n1c(S)nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1O	InChI=1S/C18H20N2O6S/c1-5-8(2)20-16(22)12(15(21)19-18(20)27)13-9-6-7-10(24-3)14(25-4)11(9)17(23)26-13/h6-8,13,22H,5H2,1-4H3,(H,19,21,27)	C18H20N2O6S	392.426	8	1	136.46	3	5	0	-0.532600000000001	2.32807	2.45	3.599	73.978	103.3873	2.7333	346.703499635702
Cond-001904	NPD2008	NPD2008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4224888379	[C@H]12Cc3c(CN1C(=O)CN(/N=C/c1ccc(cc1)N(=O)=O)C2=O)[nH]c1ccccc31	InChI=1S/C21H17N5O4/c27-20-12-25(22-10-13-5-7-14(8-6-13)26(29)30)21(28)19-9-16-15-3-1-2-4-17(15)23-18(16)11-24(19)20/h1-8,10,19,23H,9,11-12H2/b22-10+/t19-/m1/s1	C21H17N5O4	403.391	9	1	111.91	5	3	0	-1.349	2.28237	2.78	3.817	47.0864	115.982	2.7853	338.43350447428
Cond-001905	NPD2009	NPD2009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6616831444	[C@@H]12[C@H](C)N[C@@]3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C20H16N4O5/c1-10-15-16(20(22-10)13-7-2-3-8-14(13)21-19(20)27)18(26)23(17(15)25)11-5-4-6-12(9-11)24(28)29/h2-10,15-16,22H,1H3,(H,21,27)/t10-,15+,16-,20+/m0/s1	C20H16N4O5	392.365	9	2	121.65	5	2	0	-1.7268	2.47338	2.67	2.408	45.8573	107.1884	2.6463	332.467445041607
Cond-001906	NPD201	NPD201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7998789966	CCOc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2ccc(CC)cc2)cc1	InChI=1S/C33H36N4O5/c1-3-22-8-12-26(13-9-22)37-31(40)33(30(39)34-32(37)41,17-23-10-14-27(15-11-23)42-4-2)21-35-18-24-16-25(20-35)28-6-5-7-29(38)36(28)19-24/h5-15,24-25H,3-4,16-21H2,1-2H3,(H,34,39,41)/t24-,25+,33?/m1/s1	C33H36N4O5	568.663	9	1	99.26	6	8	0	-1.0257	4.30696000000001	4.1	4.627	108.5563	160.6927	4.2834	539.685869075475
Cond-001907	NPD2010	NPD2010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2550679439	COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(/[O-])\c1c(C)cc(OCC(C)C)cc1	InChI=1S/C27H34N2O6/c1-16(2)15-35-19-8-9-20(17(3)13-19)25(31)23-24(18-7-10-21(30)22(14-18)34-6)29(12-11-28(4)5)27(33)26(23)32/h7-10,13-14,16,24,30-31H,11-12,15H2,1-6H3/b25-23+	C27H34N2O6	482.569	8	2	103.57	3	9	0	-2.5735	0.596910000000005	3.55	3.464	81.411	130.8015	3.7519	467.685419809303
Cond-001908	NPD2011	NPD2011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.853286273	COc1cc(/C=N/N=c/2\[nH]c3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1OCc1ccccc1	InChI=1S/C25H27N7O6/c1-36-17-9-15(7-8-16(17)37-12-14-5-3-2-4-6-14)10-29-31-25-30-19-22(26)27-13-28-23(19)32(25)24-21(35)20(34)18(11-33)38-24/h2-10,13,18,20-21,24,33-35H,11-12H2,1H3,(H,30,31)(H2,26,27,28)/b29-10+/t18-,20-,21-,24-/m1/s1	C25H27N7O6	521.525	13	6	180.17	5	8	1	-2.9903	1.39277	2.78	4.451	64.0162	139.8295	3.66590000000001	447.191416795202
Cond-001909	NPD2012	NPD2012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9680498026	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(Cc5cc(C)cc(C)c5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C46H55NO12/c1-21-17-22(2)19-30(18-21)20-31-36-41(53)34-33(40(31)52)35-43(28(8)39(34)51)59-46(10,44(35)54)57-16-15-32(56-11)25(5)42(58-29(9)48)27(7)38(50)26(6)37(49)23(3)13-12-14-24(4)45(55)47-36/h12-19,23,25-27,32,37-38,42,49-51H,20H2,1-11H3,(H,47,55)/b13-12-,16-15-,24-14-/t23-,25+,26+,27-,32-,37-,38-,42+,46-/m0/s1	C46H55NO12	813.928	13	4	194.99	4	5	2	0.691400000000001	5.51301000000001	5.09	6.146	173.3885	218.998599999999	6.20620000000002	797.522058089565
Cond-001910	NPD2013	NPD2013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7665867306	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1CC1C(=O)N(C(=O)N=C1O)c1ccc(Cl)cc1	InChI=1S/C29H26ClN3O7/c1-32(27(35)17-6-4-3-5-7-17)13-12-18-14-23-25(40-16-39-23)24(38-2)21(18)15-22-26(34)31-29(37)33(28(22)36)20-10-8-19(30)9-11-20/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,31,34,37)	C29H26ClN3O7	563.986	10	1	117.97	5	9	0	-0.666699999999999	5.19756000000001	3.44	4.73	71.7424	153.9693	3.9254	491.116691535397
Cond-001911	NPD2014	NPD2014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4104323953	O=C(Nc1ccccc1)C1C2C3CCCCC3(NC1=O)Oc1ccccc21	InChI=1S/C22H22N2O3/c25-20(23-14-8-2-1-3-9-14)19-18-15-10-4-5-12-17(15)27-22(24-21(19)26)13-7-6-11-16(18)22/h1-5,8-10,12,16,18-19H,6-7,11,13H2,(H,23,25)(H,24,26)	C22H22N2O3	362.422	5	2	67.43	5	3	1	-2.5938	4.76857	3.33	5.151	42.1934	106.7514	2.6971	332.758357877485
Cond-001912	NPD2016	NPD2016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.370249255	COc1ccc(cc1OC)c1coc2c(C[NH+]3CCCC(C)C3)c([O-])ccc2c1=O	InChI=1S/C24H27NO5/c1-15-5-4-10-25(12-15)13-18-20(26)8-7-17-23(27)19(14-30-24(17)18)16-6-9-21(28-2)22(11-16)29-3/h6-9,11,14-15,26H,4-5,10,12-13H2,1-3H3	C24H27NO5	409.475	6	1	72.26	4	5	0	-2.8725	2.21008	3.44	3.094	59.9722	114.6987	3.1051	386.290479022974
Cond-001913	NPD2017	NPD2017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.6542622668	COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(OC(C)C)cc1	InChI=1S/C20H23NO5/c1-13(2)26-17-10-6-15(7-11-17)19(23)21-18(20(24)25-3)12-14-4-8-16(22)9-5-14/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)	C20H23NO5	357.4	6	2	84.86	2	9	0	-1.2805	2.92739	3	3.738	46.9971	100.53	2.7587	341.819457921107
Cond-001914	NPD2019	NPD2019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4877692233	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(CCO)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C27H31N3O5/c1-4-13-35-21-10-9-17(14-22(21)34-3)19-15-30-23(32)16-29(11-12-31)26(33)27(30,2)25-24(19)18-7-5-6-8-20(18)28-25/h5-10,14,19,28,31H,4,11-13,15-16H2,1-3H3/t19?,27-/m0/s1	C27H31N3O5	477.552	8	2	95.1	5	7	0	-2.628	2.84319000000001	3.55	2.325	73.512	134.9298	3.5758	434.279035915308
Cond-001915	NPD202	NPD202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8910891089	CCc1cc2c(occ(c2=O)c2cc3c(OCCO3)cc2)cc1OCC(=O)OC	InChI=1S/C22H20O7/c1-3-13-8-15-19(10-18(13)29-12-21(23)25-2)28-11-16(22(15)24)14-4-5-17-20(9-14)27-7-6-26-17/h4-5,8-11H,3,6-7,12H2,1-2H3	C22H20O7	396.39	7	0	80.29	4	6	0	-0.989500000000001	4.74175	3.11	3.243	56.4879	112.0625	2.7979	355.645744263396
Cond-001916	NPD2020	NPD2020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6709346991	CCOc1c(cccc1)C1C2CCCCC2(O)CCN1CC(=O)NCc1ccco1	InChI=1S/C24H32N2O4/c1-2-29-21-11-4-3-9-19(21)23-20-10-5-6-12-24(20,28)13-14-26(23)17-22(27)25-16-18-8-7-15-30-18/h3-4,7-9,11,15,20,23,28H,2,5-6,10,12-14,16-17H2,1H3,(H,25,27)	C24H32N2O4	412.522	6	2	74.94	4	8	0	-2.2102	3.75239000000001	3.44	3.754	66.2613	120.4695	3.2322	393.76992993218
Cond-001917	NPD2021	NPD2021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1034967748	Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(CC2)C(=O)[C@@H]2CCCN2)cc1	InChI=1S/C28H36N4O3/c1-20-9-11-22(12-10-20)19-30-27(34)25(18-21-6-3-2-4-7-21)31-26(33)23-13-16-32(17-14-23)28(35)24-8-5-15-29-24/h2-4,6-7,9-12,23-25,29H,5,8,13-19H2,1H3,(H,30,34)(H,31,33)/t24-,25-/m0/s1	C28H36N4O3	476.61	7	3	90.54	4	11	2	-3.1849	1.94331	3.77	5.647	76.7544	136.8211	3.8077	468.24778604902
Cond-001918	NPD2022	NPD2022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7872688977	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@H](C(C)O)C(=O)O	InChI=1S/C24H30N4O6/c1-12(2)11-17(20(30)26-18(13(3)29)21(31)32)28-22(33)24(4)19-15(9-10-27(24)23(28)34)14-7-5-6-8-16(14)25-19/h5-8,12-13,17-18,25,29H,9-11H2,1-4H3,(H,26,30)(H,31,32)/t13?,17-,18+,24-/m0/s1	C24H30N4O6	470.518	10	4	143.04	4	8	0	-1.5695	1.38438	3	1.699	87.2708	126.7313	3.4632	428.070986348036
Cond-001919	NPD2023	NPD2023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3658512816	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CCN3CCOCC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H40N4O5/c1-4-16-41-26-11-10-22(19-27(26)40-5-2)24-20-36-28(37)21-35(13-12-34-14-17-39-18-15-34)31(38)32(36,3)30-29(24)23-8-6-7-9-25(23)33-30/h6-11,19,24,33H,4-5,12-18,20-21H2,1-3H3/t24?,32-/m0/s1	C32H40N4O5	560.684	9	1	87.34	6	9	0	-2.0118	3.57319000000001	3.99	2.91	98.6071	159.72	4.2715	519.399260552008
Cond-001920	NPD2024	NPD2024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1709839456	COc1cc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)c(OC)cc1	InChI=1S/C24H28N2O3/c1-16-6-8-20-19(14-16)23(2,3)24(25-22(27)11-13-26(20)24)12-10-17-15-18(28-4)7-9-21(17)29-5/h6-10,12,14-15H,11,13H2,1-5H3,(H,25,27)/b12-10+	C24H28N2O3	392.491	5	1	50.8	4	4	0	1.3652	4.33729000000001	3.55	4.658	65.9785	117.1297	3.0875	379.706785830019
Cond-001921	NPD2025	NPD2025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.9247147736	C=CC1CN2CCC1CC2C(OC(=O)c1ccccc1)c1ccnc2ccccc12	InChI=1S/C26H26N2O2/c1-2-18-17-28-15-13-20(18)16-24(28)25(30-26(29)19-8-4-3-5-9-19)22-12-14-27-23-11-7-6-10-21(22)23/h2-12,14,18,20,24-25H,1,13,15-17H2	C26H26N2O2	398.497	4	0	42.43	3	6	1	-0.0925999999999989	5.04268000000001	3.88	6.803	48.5261	121.394	3.116	376.979152278791
Cond-001922	NPD2026	NPD2026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.44746002	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C34H31NO6S/c1-22-14-16-27(17-15-22)42(38,39)35-30(21-26-12-8-5-9-13-26)34(37)40-31-19-18-28-23(2)29(20-25-10-6-4-7-11-25)33(36)41-32(28)24(31)3/h4-19,30,35H,20-21H2,1-3H3	C34H31NO6S	581.678	7	1	107.15	5	10	1	1.2454	6.79440000000001	4.32	11.055	60.8989	160.6947	4.32670000000001	533.937906433403
Cond-001923	NPD2027	NPD2027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7879756801	CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(F)cc1	InChI=1S/C27H35FN4O3/c1-18(2)24(26(34)30-17-20-8-10-22(28)11-9-20)31-25(33)21-12-14-32(15-13-21)27(35)23(29)16-19-6-4-3-5-7-19/h3-11,18,21,23-24H,12-17,29H2,1-2H3,(H,30,34)(H,31,33)/t23-,24-/m0/s1	C27H35FN4O3	482.59	7	4	104.53	3	12	1	-2.5394	2.28569	3.55	4.832	76.7793	134.9278	3.7931	469.375818974259
Cond-001924	NPD2028	NPD2028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2180099406	COc1ccc(cc1)C1CN2C(=O)CN(C3CCCC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C27H29N3O3/c1-27-25-24(20-9-5-6-10-22(20)28-25)21(17-11-13-19(33-2)14-12-17)15-30(27)23(31)16-29(26(27)32)18-7-3-4-8-18/h5-6,9-14,18,21,28H,3-4,7-8,15-16H2,1-2H3/t21?,27-/m0/s1	C27H29N3O3	443.537	6	1	65.64	6	3	0	-3.0141	4.00469000000001	3.77	3.956	61.4257	129.447	3.3498	404.342123813386
Cond-001925	NPD2029	NPD2029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1429908729	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(Cc3c(F)cccc3Cl)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H33ClFN3O4/c1-4-15-42-27-14-13-20(16-28(27)41-5-2)22-18-38-29(39)19-37(17-23-24(34)10-8-11-25(23)35)32(40)33(38,3)31-30(22)21-9-6-7-12-26(21)36-31/h6-14,16,22,36H,4-5,15,17-19H2,1-3H3/t22?,33-/m0/s1	C33H33ClFN3O4	590.084	7	1	74.87	6	8	1	-0.704900000000001	5.89419000000001	4.1	5.787	77.0171	161.952	4.265	519.377508787487
Cond-001926	NPD203	NPD203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3647971248	COc1ccc(cc1OC)C1Nc2c(c3ccccc3cc2)C2=C1CC(C)(C)CC2=O	InChI=1S/C27H27NO3/c1-27(2)14-19-25(21(29)15-27)24-18-8-6-5-7-16(18)9-11-20(24)28-26(19)17-10-12-22(30-3)23(13-17)31-4/h5-13,26,28H,14-15H2,1-4H3	C27H27NO3	413.508	4	1	47.56	5	3	1	0.643599999999997	6.47667	3.99	6.253	57.3288	126.4457	3.2158	392.068603397052
Cond-001927	NPD2030	NPD2030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.1163117248	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3cc(OC)c(OC)c(OC)c3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H35N3O5/c1-6-20-11-13-22(14-12-20)24-18-36-28(37)19-35(17-21-15-26(39-3)30(41-5)27(16-21)40-4)32(38)33(36,2)31-29(24)23-9-7-8-10-25(23)34-31/h7-16,24,34H,6,17-19H2,1-5H3/t24?,33-/m0/s1	C33H35N3O5	553.648	8	1	84.1	6	7	1	-1.5968	4.50239000000001	4.21	6.031	76.0757	159.063	4.1836	506.889108867308
Cond-001928	NPD2032	NPD2032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.4165691552	COc1ccc(CCNC(=O)[C@H](C(C)C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1	InChI=1S/C28H32N4O4/c1-17(2)23(25(33)29-15-13-18-9-11-19(36-4)12-10-18)32-26(34)28(3)24-21(14-16-31(28)27(32)35)20-7-5-6-8-22(20)30-24/h5-12,17,23,30H,13-16H2,1-4H3,(H,29,33)/t23-,28-/m0/s1	C28H32N4O4	488.578	8	2	94.74	5	8	0	-0.7534	3.41158	3.66	3.872	76.8955	140.5747	3.7148	451.145095347981
Cond-001929	NPD2034	NPD2034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.63035556	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCCc1ccc(O)c(O)c1	InChI=1S/C39H54N2O9/c1-37-17-13-27(42)23-26(37)8-9-28-29(37)14-18-38(2)30(28)15-19-39(38,49)33(45)24-50-36(48)12-11-35(47)40-20-5-3-4-6-34(46)41-21-16-25-7-10-31(43)32(44)22-25/h7,10,22-23,28-30,43-44,49H,3-6,8-9,11-21,24H2,1-2H3,(H,40,47)(H,41,46)/t28?,29?,30?,37-,38-,39-/m0/s1	C39H54N2O9	694.854	11	5	179.33	5	18	1	-2.6571	4.74868000000001	4.54	3.438	154.8539	187.7958	5.40160000000001	687.794998019782
Cond-001930	NPD2035	NPD2035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4271007436	COc1ccc(cc1)N1C(=O)/C(=C\NCC2[NH+](C)CCc3cc4c(OCO4)c(OC)c23)/C(=O)N=C1[S-]	InChI=1S/C25H26N4O6S/c1-28-9-8-14-10-19-21(35-13-34-19)22(33-3)20(14)18(28)12-26-11-17-23(30)27-25(36)29(24(17)31)15-4-6-16(32-2)7-5-15/h4-7,10-11,18,26H,8-9,12-13H2,1-3H3,(H,27,30,36)/b17-11-	C25H26N4O6S	510.562	10	2	103.13	5	6	0	-3.0401	1.79425	3	2.426	75.0974	141.5104	3.573	446.246618929103
Cond-001931	NPD2036	NPD2036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.1872441441	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c([O-])n(c(O)nc1=O)c1cc(C)c(C)cc1	InChI=1S/C24H25N3O6/c1-12-5-6-15(9-13(12)2)27-23(29)18(22(28)25-24(27)30)19-17-14(7-8-26(19)3)10-16-20(21(17)31-4)33-11-32-16/h5-6,9-10,19,29H,7-8,11H2,1-4H3,(H,25,28,30)	C24H25N3O6	451.472	9	2	108.09	5	3	0	-1.5521	1.42459	3.11	4.357	66.909	123.4355	3.2118	402.081308738269
Cond-001932	NPD2037	NPD2037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9519530881	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NCC(=O)NC(Cc5c[nH]c6c5cccc6)C(=O)O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C36H46N4O7/c1-21(41)36(46)15-12-28-26-9-8-23-17-24(10-13-34(23,2)27(26)11-14-35(28,36)3)40-47-20-32(43)38-19-31(42)39-30(33(44)45)16-22-18-37-29-7-5-4-6-25(22)29/h4-7,17-18,26-28,30,37,46H,8-16,19-20H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/b40-24-/t26?,27?,28?,30?,34-,35-,36-/m0/s1	C36H46N4O7	646.773	11	5	170.18	6	12	1	-2.1073	4.28456000000001	4.21	3.989	138.7445	181.904	4.90950000000001	614.427193755795
Cond-001933	NPD2038	NPD2038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.6175481428	O=C1C2C(Cc3c[nH]c4c3cccc4)NC3(C2C(=O)N1c1ccc2OCCOc2c1)C(=O)Nc1ccccc31	InChI=1S/C30H24N4O5/c35-27-25-22(13-16-15-31-20-7-3-1-5-18(16)20)33-30(19-6-2-4-8-21(19)32-29(30)37)26(25)28(36)34(27)17-9-10-23-24(14-17)39-12-11-38-23/h1-10,14-15,22,25-26,31,33H,11-13H2,(H,32,37)	C30H24N4O5	520.535	9	3	112.76	8	3	0	-3.0812	4.60556	3.77	3.287	56.8966	149.5134	3.60050000000001	438.648539095475
Cond-001934	NPD2039	NPD2039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.9332602576	CC(C)C[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(F)cc1	InChI=1S/C23H35FN4O3/c1-14(2)13-19(25)23(31)28-11-9-16(10-12-28)21(29)27-20(15(3)4)22(30)26-18-7-5-17(24)6-8-18/h5-8,14-16,19-20H,9-13,25H2,1-4H3,(H,26,30)(H,27,29)/t19-,20-/m0/s1	C23H35FN4O3	434.547	7	4	104.53	2	11	1	-1.7849	3.35098	3.11	3.059	85.9213	122.0188	3.4671	431.357715273993
Cond-001935	NPD204	NPD204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.8316831683	CC(Oc1cc2c(cc1)c(cc(=O)o2)c1ccccc1)C(=O)NCCC(=O)O	InChI=1S/C21H19NO6/c1-13(21(26)22-10-9-19(23)24)27-15-7-8-16-17(14-5-3-2-4-6-14)12-20(25)28-18(16)11-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,23,24)	C21H19NO6	381.379	7	2	101.93	3	8	0	-1.0137	2.94747	3	4.519	50.0779	105.1925	2.7637	350.276293145135
Cond-001936	NPD2040	NPD2040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.2302262353	CCOc1c(OC)cccc1C1CN2C(=O)CN(C3CCCC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H33N3O4/c1-4-36-26-19(13-9-15-23(26)35-3)21-16-32-24(33)17-31(18-10-5-6-11-18)28(34)29(32,2)27-25(21)20-12-7-8-14-22(20)30-27/h7-9,12-15,18,21,30H,4-6,10-11,16-17H2,1-3H3/t21?,29-/m0/s1	C29H33N3O4	487.59	7	1	74.87	6	5	0	-2.8155	4.40339000000001	3.88	3.935	73.0353	140.616	3.6903	447.724319765681
Cond-001937	NPD2041	NPD2041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.171574904	CCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c12	InChI=1S/C23H29NO6/c1-4-16-11-20(25)30-19-10-13(2)9-18(21(16)19)29-14(3)22(26)24-12-15-5-7-17(8-6-15)23(27)28/h9-11,14-15,17H,4-8,12H2,1-3H3,(H,24,26)(H,27,28)/t14?,15-,17-	C23H29NO6	415.479	7	2	101.93	3	8	0	0.472000000000001	3.75349000000001	3.22	3.462	85.6129	114.4105	3.1745	403.677638499269
Cond-001938	NPD2042	NPD2042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0492212291	CSCCC(NC(=O)C(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C)C(=O)O	InChI=1S/C33H46N2O10S/c1-18(29(41)35-23(30(42)43)11-14-46-4)34-26(39)7-8-27(40)45-17-25(38)33(44)13-10-22-21-6-5-19-15-20(36)9-12-31(19,2)28(21)24(37)16-32(22,33)3/h15,18,21-23,28,44H,5-14,16-17H2,1-4H3,(H,34,39)(H,35,41)(H,42,43)/t18?,21?,22?,23?,28?,31-,32-,33-/m0/s1	C33H46N2O10S	662.791	12	4	218.54	4	16	2	-1.9297	2.30818	3.66	0.188000000000001	164.0688	170.393	4.93	637.211258424345
Cond-001939	NPD2043	NPD2043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7990942775	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CC(O)c1ccccc1)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C28H24N4O5/c33-24(17-7-2-1-3-8-17)15-30-16-25(34)31-23(28(30)35)14-21-20-11-4-5-12-22(20)29-26(21)27(31)18-9-6-10-19(13-18)32(36)37/h1-13,23-24,27,29,33H,14-16H2/t23-,24?,27?/m0/s1	C28H24N4O5	496.514	9	2	119.78	6	5	1	-1.8759	2.81188000000001	3.55	5.317	48.8958	139.6648	3.53590000000001	428.769487245341
Cond-001940	NPD2044	NPD2044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4558857945	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(Cc3cccc(Cl)c3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H32ClN3O4/c1-19(2)40-26-13-12-21(15-27(26)39-4)24-17-36-28(37)18-35(16-20-8-7-9-22(33)14-20)31(38)32(36,3)30-29(24)23-10-5-6-11-25(23)34-30/h5-15,19,24,34H,16-18H2,1-4H3/t24?,32-/m0/s1	C32H32ClN3O4	558.067	7	1	74.87	6	6	1	-1.1577	5.36339000000001	4.1	5.507	73.5236	157.355	4.10640000000001	496.013965311314
Cond-001941	NPD2046	NPD2046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.7210097029	COCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Br)cc1	InChI=1S/C24H24BrN3O3/c1-24-22-21(17-5-3-4-6-19(17)26-22)18(15-7-9-16(25)10-8-15)13-28(24)20(29)14-27(23(24)30)11-12-31-2/h3-10,18,26H,11-14H2,1-2H3/t18?,24-/m0/s1	C24H24BrN3O3	482.37	6	1	65.64	5	4	0	-0.8997	3.46239	3.33	3.385	64.4049	125.082	3.2107	384.094247614152
Cond-001942	NPD2047	NPD2047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6445731811	Cc1c(C)c2ccc(OC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)OCc3ccccc3)cc2oc1=O	InChI=1S/C30H26N2O6/c1-18-19(2)28(33)38-27-15-22(12-13-23(18)27)37-29(34)26(14-21-16-31-25-11-7-6-10-24(21)25)32-30(35)36-17-20-8-4-3-5-9-20/h3-13,15-16,26,31H,14,17H2,1-2H3,(H,32,35)/t26-/m0/s1	C30H26N2O6	510.537	8	2	106.72	5	10	1	0.5909	5.00597000000001	3.88	7.156	56.4592	147.1657	3.74240000000001	459.878162781303
Cond-001943	NPD2048	NPD2048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	17.393989296	OCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc(Br)ccc1	InChI=1S/C21H18BrN3O2/c22-14-6-3-5-13(11-14)19-20-16(15-7-1-2-8-17(15)24-20)12-18(25-19)21(27)23-9-4-10-26/h1-3,5-8,11-12,24,26H,4,9-10H2,(H,23,27)	C21H18BrN3O2	424.291	5	3	78.01	4	6	0	-0.8915	4.60307000000001	3.11	4.318	34.2412	117.1915	2.7949	322.236067035991
Cond-001944	NPD2049	NPD2049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.698836601	CC(=O)Oc1ccc(cc1)N1C(=O)C2C(Cc3ccccc3)NC3(C2C1=O)C(=O)Nc1ccccc31	InChI=1S/C28H23N3O5/c1-16(32)36-19-13-11-18(12-14-19)31-25(33)23-22(15-17-7-3-2-4-8-17)30-28(24(23)26(31)34)20-9-5-6-10-21(20)29-27(28)35/h2-14,22-24,30H,15H2,1H3,(H,29,35)	C28H23N3O5	481.499	8	2	104.81	6	5	1	-2.457	3.82798	3.66	5.563	52.6501	136.0784	3.43610000000001	428.672727037175
Cond-001945	NPD205	NPD205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2246421904	CCOC(=O)C(C)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C20H18O6/c1-3-23-20(22)13(2)25-15-9-10-16-17(11-15)24-12-18(19(16)21)26-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3	C20H18O6	354.353	6	0	71.06	3	7	1	-1.0703	4.40866	3	5.098	44.595	100.15	2.566	324.620007011902
Cond-001946	NPD2050	NPD2050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7062953429	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NC3CCCCC3)c(C)c1c2	InChI=1S/C23H27NO4/c1-13-15(3)27-20-12-21-19(11-18(13)20)14(2)17(23(26)28-21)9-10-22(25)24-16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3,(H,24,25)	C23H27NO4	381.465	5	1	68.54	4	5	0	-0.4731	4.94321000000001	3.44	3.974	67.3379	112.6437	2.9485	362.840726397347
Cond-001947	NPD2051	NPD2051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9583605843	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccc(C)cc4)c4C(=O)C(=C(Nc5ccc(C)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C)/C	InChI=1S/C50H56N2O12/c1-24-14-18-32(19-15-24)49(60)63-45-31(8)46-37-35-36(45)44(57)39(38(43(35)56)51-33-20-16-25(2)17-21-33)52-48(59)27(4)13-11-12-26(3)40(53)29(6)42(55)30(7)41(54)28(5)34(61-10)22-23-62-50(9,64-46)47(37)58/h11-23,26,28-30,34,40-42,51,53-55H,1-10H3,(H,52,59)/b12-11-,23-22-,27-13-/t26-,28+,29+,30+,34-,40-,41+,42-,50-/m0/s1	C50H56N2O12	876.986	14	5	207.02	5	6	2	-0.446299999999997	7.06338000000001	5.42	8.283	167.2109	240.922299999999	6.63200000000002	846.536921997998
Cond-001948	NPD2052	NPD2052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.20689823	Cc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)c(Cl)cc12	InChI=1S/C27H22ClNO6/c1-17-12-25(30)34-23-15-24(21(28)14-20(17)23)35-26(31)22(13-18-8-4-2-5-9-18)29-27(32)33-16-19-10-6-3-7-11-19/h2-12,14-15,22H,13,16H2,1H3,(H,29,32)/t22-/m0/s1	C27H22ClNO6	491.92	7	1	90.93	4	10	1	1.2025	5.31787	3.55	8.472	54.4177	133.5557	3.49390000000001	438.097433867569
Cond-001949	NPD2053	NPD2053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.288184438	CCCCOc1ccc(NC(=O)c2c(cccc2)N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C2=O)cc1	InChI=1S/C32H32N4O5/c1-4-5-18-41-21-12-10-20(11-13-21)33-29(37)24-8-6-7-9-27(24)36-30(38)32(2)28-23(16-17-35(32)31(36)39)25-19-22(40-3)14-15-26(25)34-28/h6-15,19,34H,4-5,16-18H2,1-3H3,(H,33,37)/t32-/m0/s1	C32H32N4O5	552.62	9	2	103.97	6	9	1	-2.1036	5.99847000000001	3.99	5.483	68.1941	160.6947	4.0995	497.953425748809
Cond-001950	NPD2054	NPD2054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.6184698936	COc1c(OC)cc2c(CCn3c(=O)nc(OCCN4CCCCC4)cc23)c1	InChI=1S/C21H27N3O4/c1-26-18-12-15-6-9-24-17(16(15)13-19(18)27-2)14-20(22-21(24)25)28-11-10-23-7-4-3-5-8-23/h12-14H,3-11H2,1-2H3	C21H27N3O4	385.457	7	0	63.6	4	6	0	-1.422	2.25037	3	1.938	78.6398	109.614	2.9093	363.778736262747
Cond-001951	NPD2055	NPD2055	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3251953363	CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12	InChI=1S/C23H23NO6/c1-4-17-12-20(25)30-21-14(2)19(11-10-18(17)21)29-22(26)15(3)24-23(27)28-13-16-8-6-5-7-9-16/h5-12,15H,4,13H2,1-3H3,(H,24,27)/t15-/m0/s1	C23H23NO6	409.432	7	1	90.93	3	9	1	0.754	4.41529000000001	3.22	5.687	60.1859	114.6577	3.0455	384.868262396869
Cond-001952	NPD2056	NPD2056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7982708934	COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@]34C)c3ccc(F)c(c3)N(=O)=O)c2c1	InChI=1S/C21H17FN4O5/c1-21-18-13(14-10-12(31-2)4-6-16(14)23-18)7-8-24(21)20(28)25(19(21)27)11-3-5-15(22)17(9-11)26(29)30/h3-6,9-10,23H,7-8H2,1-2H3/t21-/m0/s1	C21H17FN4O5	424.382	9	1	108.78	5	3	0	0.338199999999999	3.03017	2.67	2.853	47.4619	114.396	2.8049	344.93098851778
Cond-001953	NPD2057	NPD2057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.4145572737	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCCCCCC)c(=O)cc12)NC(=O)C	InChI=1S/C28H38N2O5/c1-6-7-8-9-10-15-29-23-14-12-20-21(17-24(23)32)22(30-18(2)31)13-11-19-16-25(33-3)27(34-4)28(35-5)26(19)20/h12,14,16-17,22H,6-11,13,15H2,1-5H3,(H,29,32)(H,30,31)/t22-/m0/s1	C28H38N2O5	482.612	7	2	85.89	3	12	1	-2.6589	4.40326000000001	3.77	4.5	107.5713	139.5764	3.8771	489.727636435409
Cond-001954	NPD2058	NPD2058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.636475916	C[C@H](NC(=O)C(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O	InChI=1S/C24H25NO6/c1-13-18-10-11-20(30-16(4)22(26)25-15(3)23(27)28)14(2)21(18)31-24(29)19(13)12-17-8-6-5-7-9-17/h5-11,15-16H,12H2,1-4H3,(H,25,26)(H,27,28)/t15-,16?/m0/s1	C24H25NO6	423.458	7	2	101.93	3	8	1	0.4854	4.11389000000001	3.33	5.383	64.4982	120.3565	3.1864	402.164247022736
Cond-001955	NPD2059	NPD2059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8147385755	CC(Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C26H26N2O6/c1-13-14(2)26(32)34-23-15(3)22(10-9-18(13)23)33-16(4)24(29)28-21(25(30)31)11-17-12-27-20-8-6-5-7-19(17)20/h5-10,12,16,21,27H,11H2,1-4H3,(H,28,29)(H,30,31)/t16?,21-/m0/s1	C26H26N2O6	462.494	8	3	117.72	4	8	0	0.261899999999999	4.51848000000001	3.44	3.876	67.666	133.6865	3.4164	421.860059081036
Cond-001956	NPD206	NPD206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3441746491	COc1ccc(cc1)C(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C	InChI=1S/C23H22O5/c1-14-21(27-13-20(24)15-7-9-16(26-2)10-8-15)12-11-18-17-5-3-4-6-19(17)23(25)28-22(14)18/h7-12H,3-6,13H2,1-2H3	C23H22O5	378.418	5	0	61.83	4	5	0	-0.495200000000001	5.33899	3.44	4.31	54.0691	110.4935	2.8214	355.361275488141
Cond-001957	NPD2060	NPD2060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7900041896	COc1c(cccc1)/N=c\1/[nH]c(cs1)C1(C)CC2(CC(C)OC2=O)C(=O)O1	InChI=1S/C19H20N2O5S/c1-11-8-19(15(22)25-11)10-18(2,26-16(19)23)14-9-27-17(21-14)20-12-6-4-5-7-13(12)24-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)	C19H20N2O5S	388.437	7	1	111.52	4	3	0	0.0677000000000003	2.94567	2.67	3.611	74.853	104.4047	2.7069	342.852798860207
Cond-001958	NPD2061	NPD2061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.794991809	CSCC[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)O	InChI=1S/C25H32N4O5S/c1-14(2)13-19(21(30)27-18(22(31)32)10-12-35-4)29-23(33)25(3)20-16(9-11-28(25)24(29)34)15-7-5-6-8-17(15)26-20/h5-8,14,18-19,26H,9-13H2,1-4H3,(H,27,30)(H,31,32)/t18-,19+,25+/m1/s1	C25H32N4O5S	500.61	9	3	148.11	4	10	0	-0.693600000000002	2.75668	3.11	3.342	96.5236	138.0495	3.7089	455.085768330942
Cond-001959	NPD2063	NPD2063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.0264189073	COc1cc(ccc1)/N=c/1\[nH]c(cs1)C1(C)CC2(CC(C)OC2=O)C(=O)O1	InChI=1S/C19H20N2O5S/c1-11-8-19(15(22)25-11)10-18(2,26-16(19)23)14-9-27-17(21-14)20-12-5-4-6-13(7-12)24-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)	C19H20N2O5S	388.437	7	1	111.52	4	3	0	0.0677000000000003	2.94567	2.67	3.611	74.853	104.4047	2.7069	342.852798860207
Cond-001960	NPD2064	NPD2064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2885846548	CC(Oc1ccc2c(C)cc(=O)oc2c1C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C22H27NO6/c1-12-10-19(24)29-20-13(2)18(9-8-17(12)20)28-14(3)21(25)23-11-15-4-6-16(7-5-15)22(26)27/h8-10,14-16H,4-7,11H2,1-3H3,(H,23,25)(H,26,27)/t14?,15-,16-	C22H27NO6	401.453	7	2	101.93	3	7	0	0.807100000000001	3.91889000000001	3.11	2.787	80.7645	112.1205	3.0336	386.381653873402
Cond-001961	NPD2065	NPD2065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3462330177	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCc3ccco3)c1C)c2	InChI=1S/C21H19NO5/c1-12-11-26-18-9-19-17(8-16(12)18)13(2)15(21(24)27-19)5-6-20(23)22-10-14-4-3-7-25-14/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)	C21H19NO5	365.379	6	1	81.68	4	6	0	0.4353	4.03619	3.11	2.531	49.9808	103.7867	2.6394	320.866066444574
Cond-001962	NPD2066	NPD2066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8106716593	CCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(CC)cc1	InChI=1S/C27H31N3O2/c1-4-6-15-29-17-23(31)30-16-21(19-13-11-18(5-2)12-14-19)24-20-9-7-8-10-22(20)28-25(24)27(30,3)26(29)32/h7-14,21,28H,4-6,15-17H2,1-3H3/t21?,27-/m0/s1	C27H31N3O2	429.554	5	1	56.41	5	5	1	-1.9661	4.41599000000001	3.88	6.438	65.8502	129.792	3.3997	407.908355813625
Cond-001963	NPD2067	NPD2067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2618769015	COc1c(OC)c2c(cc1)C(OC2=O)N1[C@@H](CCC1=O)C(=O)Nc1c(C)cc(C)cc1	InChI=1S/C23H24N2O6/c1-12-5-7-15(13(2)11-12)24-21(27)16-8-10-18(26)25(16)22-14-6-9-17(29-3)20(30-4)19(14)23(28)31-22/h5-7,9,11,16,22H,8,10H2,1-4H3,(H,24,27)/t16-,22?/m0/s1	C23H24N2O6	424.446	8	1	94.17	4	6	0	-0.4584	2.89534	3.11	3.546	60.7716	112.9407	3.0797	386.145022605035
Cond-001964	NPD2068	NPD2068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.838963853	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C36H44N2O9/c1-34-12-9-23(40)16-21(34)3-5-24-26(34)10-13-35(2)27(24)11-14-36(35,46)30(41)19-47-32(43)8-7-31(42)38-29(33(44)45)15-20-18-37-28-6-4-22(39)17-25(20)28/h4,6,16-18,24,26-27,29,37,39,46H,3,5,7-15,19H2,1-2H3,(H,38,42)(H,44,45)/t24?,26?,27?,29?,34-,35-,36-/m0/s1	C36H44N2O9	648.743	11	5	183.09	6	12	1	-1.7665	4.22427000000001	4.21	2.496	136.3951	174.5401	4.8273	610.014126740584
Cond-001965	NPD2069	NPD2069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.5918985152	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C\1/C=CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=C1	InChI=1S/C34H43N3O5/c1-32-14-11-23(18-22(32)9-10-25-26(32)12-15-33(2)27(25)13-16-34(33,3)40)37-42-20-30(38)36-29(31(39)41-4)17-21-19-35-28-8-6-5-7-24(21)28/h5-8,11,14,18-19,25-27,29,35,40H,9-10,12-13,15-17,20H2,1-4H3,(H,36,38)/b37-23-/t25?,26?,27?,29?,32?,33?,34-/m0/s1	C34H43N3O5	573.722	8	3	113.01	6	9	1	-0.0623999999999981	5.38985000000001	4.32	6.623	127.3011	167.9035	4.4535	553.894469595574
Cond-001966	NPD207	NPD207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	19.8811881188	CCOC(=O)c1ccc(o1)c1c(oc2c(cc(CC)c(O)c2)c1=O)C(=O)OCC	InChI=1S/C21H20O8/c1-4-11-9-12-16(10-13(11)22)29-19(21(25)27-6-3)17(18(12)23)14-7-8-15(28-14)20(24)26-5-2/h7-10,22H,4-6H2,1-3H3	C21H20O8	400.379	8	1	112.27	3	8	0	-0.376799999999999	3.35616	2.89	3.47	62.4899	107.2025	2.8243	359.496445038891
Cond-001967	NPD2071	NPD2071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3618773158	COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(OC)cc1	InChI=1S/C20H24N2O4/c1-25-17-10-8-15(9-11-17)12-13-21-20(24)22-18(19(23)26-2)14-16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)/t18-/m0/s1	C20H24N2O4	356.416	6	2	76.66	2	11	2	-0.4958	1.91919	3	5.033	46.599	102.0364	2.7998	344.025991428713
Cond-001968	NPD2072	NPD2072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.9023691488	Cc1c(cccc1)N1C(=O)C2C3CCCN3C3(C2C1=O)C(=O)Nc1c3cccc1	InChI=1S/C23H21N3O3/c1-13-7-2-5-10-16(13)26-20(27)18-17-11-6-12-25(17)23(19(18)21(26)28)14-8-3-4-9-15(14)24-22(23)29/h2-5,7-10,17-19H,6,11-12H2,1H3,(H,24,29)	C23H21N3O3	387.431	6	1	69.72	6	1	0	-1.927	3.27521	3.33	2.737	51.7041	109.6967	2.7862	346.058185309919
Cond-001969	NPD2073	NPD2073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3713392922	CCC(=O)NCCc1c([nH]c2c1cccc2)/C=C/1\C(=O)N(C(=O)N=C1O)c1c(C)cc(C)cc1	InChI=1S/C26H26N4O4/c1-4-23(31)27-12-11-18-17-7-5-6-8-20(17)28-21(18)14-19-24(32)29-26(34)30(25(19)33)22-10-9-15(2)13-16(22)3/h5-10,13-14,28H,4,11-12H2,1-3H3,(H,27,31)(H,29,32,34)/b19-14-	C26H26N4O4	458.509	8	3	114.86	4	7	0	-0.113399999999999	3.61740000000001	3.44	4.718	71.1166	134.7185	3.4556	423.636667395447
Cond-001970	NPD2074	NPD2074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0443935129	COc1cc(OC)c(/C=C/2\Oc3cc(OCc4ccc(C=C)cc4)ccc3C2=O)cc1OC	InChI=1S/C27H24O6/c1-5-17-6-8-18(9-7-17)16-32-20-10-11-21-23(14-20)33-26(27(21)28)13-19-12-24(30-3)25(31-4)15-22(19)29-2/h5-15H,1,16H2,2-4H3/b26-13-	C27H24O6	444.476	6	0	63.22	4	8	1	0.0126999999999998	5.31486	3.77	6.813	55.0373	128.543	3.3147	414.526064589769
Cond-001971	NPD2075	NPD2075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3836974664	COc1ccccc1Oc1coc2cc(OCc3ccccc3)ccc2c1=O	InChI=1S/C23H18O5/c1-25-19-9-5-6-10-20(19)28-22-15-27-21-13-17(11-12-18(21)23(22)24)26-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3	C23H18O5	374.386	5	0	53.99	4	6	1	-1.2663	5.32636	3.44	6.699	31.1193	109.997	2.7354	339.188358086541
Cond-001972	NPD2076	NPD2076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8998361807	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H33N3O4/c1-20(2)39-26-15-14-22(16-27(26)38-4)24-18-35-28(36)19-34(17-21-10-6-5-7-11-21)31(37)32(35,3)30-29(24)23-12-8-9-13-25(23)33-30/h5-16,20,24,33H,17-19H2,1-4H3/t24?,32-/m0/s1	C32H33N3O4	523.622	7	1	74.87	6	6	1	-1.902	4.70999000000001	4.21	6.044	67.908	152.345	3.984	480.802897540881
Cond-001973	NPD2078	NPD2078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.124361117	Oc1cc(O)nc(SCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)n1	InChI=1S/C17H18N4O4S/c22-13-5-14(23)19-17(18-13)26-9-16(25)20-6-10-4-11(8-20)12-2-1-3-15(24)21(12)7-10/h1-3,5,10-11H,4,6-9H2,(H2,18,19,22,23)	C17H18N4O4S	374.414	8	2	132.16	4	4	0	-1.9343	0.665050000000002	2.34	-0.696	76.8651	92.5946	2.566	321.464123324246
Cond-001974	NPD2079	NPD2079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9377486543	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(C3CCCC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H35N3O4/c1-18(2)37-24-14-13-19(15-25(24)36-4)22-16-33-26(34)17-32(20-9-5-6-10-20)29(35)30(33,3)28-27(22)21-11-7-8-12-23(21)31-28/h7-8,11-15,18,20,22,31H,5-6,9-10,16-17H2,1-4H3/t22?,30-/m0/s1	C30H35N3O4	501.617	7	1	74.87	6	5	0	-3.116	4.79189000000001	3.99	4.395	78.2401	145.211	3.8312	465.020304391548
Cond-001975	NPD208	NPD208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3700153945	COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2ccccc2)c(OC)c1	InChI=1S/C31H32N4O6/c1-40-24-12-11-21(26(14-24)41-2)15-31(28(37)32-30(39)35(29(31)38)23-7-4-3-5-8-23)19-33-16-20-13-22(18-33)25-9-6-10-27(36)34(25)17-20/h3-12,14,20,22H,13,15-19H2,1-2H3,(H,32,37,39)/t20-,22+,31?/m1/s1	C31H32N4O6	556.609	10	1	108.49	6	7	0	-1.6348	3.36306	3.77	2.657	101.2278	153.2497	4.0603	513.884126524303
Cond-001976	NPD2080	NPD2080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9028785397	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O)C(=O)[C@]34C)c2c1	InChI=1S/C23H28N4O6/c1-11(2)17(20(29)30)25-19(28)12(3)27-21(31)23(4)18-14(8-9-26(23)22(27)32)15-10-13(33-5)6-7-16(15)24-18/h6-7,10-12,17,24H,8-9H2,1-5H3,(H,25,28)(H,29,30)/t12-,17+,23-/m0/s1	C23H28N4O6	456.492	10	3	132.04	4	7	0	-1.3662	1.64198	2.89	0.936	84.1723	122.6595	3.3223	410.775001722169
Cond-001977	NPD2082	NPD2082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7904487443	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCCOCC)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C25H26N4O5/c1-2-34-12-6-11-27-15-22(30)28-21(25(27)31)14-19-18-9-3-4-10-20(18)26-23(19)24(28)16-7-5-8-17(13-16)29(32)33/h3-5,7-10,13,21,24,26H,2,6,11-12,14-15H2,1H3/t21-,24?/m0/s1	C25H26N4O5	462.498	9	1	108.78	5	7	0	-1.443	2.84598000000001	3.22	3.672	62.1667	130.151	3.3508	408.047368170941
Cond-001978	NPD2083	NPD2083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6324362076	CC(=O)Oc1ccc2c(cc(=O)oc2c1C)c1cc2c(oc1=O)c(Cl)cc(Cl)c2	InChI=1S/C21H12Cl2O6/c1-9-17(27-10(2)24)4-3-13-14(8-18(25)28-19(9)13)15-6-11-5-12(22)7-16(23)20(11)29-21(15)26/h3-8H,1-2H3	C21H12Cl2O6	431.222	6	0	78.9	4	3	0	2.3049	5.17648	2.89	4.532	59.1547	110.584	2.7571	354.708751076235
Cond-001979	NPD2084	NPD2084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7300153823	CCCCCOc1ccc(N/C=C/2\C(=O)C(=C(C(C)C)c3c2c(O)c(c(C)c3)c2c(O)c3c(cc2C)C(=C(O)C(=O)/C/3=C\Nc2ccc(OCCCCC)cc2)C(C)C)O)cc1	InChI=1S/C52H60N2O8/c1-9-11-13-23-61-35-19-15-33(16-20-35)53-27-39-45-37(41(29(3)4)51(59)47(39)55)25-31(7)43(49(45)57)44-32(8)26-38-42(30(5)6)52(60)48(56)40(46(38)50(44)58)28-54-34-17-21-36(22-18-34)62-24-14-12-10-2/h15-22,25-30,53-54,57-60H,9-14,23-24H2,1-8H3/b39-27-,40-28-	C52H60N2O8	841.041	10	6	157.58	6	17	3	-2.849	13.18537	6.08	12.988	141.979	251.244799999999	6.67900000000002	835.067984447487
Cond-001980	NPD2085	NPD2085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8077398106	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C23H26N2O6S/c1-28-16-7-5-13(11-18(16)30-3)9-10-24-21(26)15-12-32-23-14-6-8-17(29-2)20(31-4)19(14)22(27)25(15)23/h5-8,11,15,23H,9-10,12H2,1-4H3,(H,24,26)/t15-,23?/m0/s1	C23H26N2O6S	458.527	8	1	111.63	4	9	0	-0.632299999999999	2.3317	3	2.016	72.3162	123.4717	3.2862	407.290505363435
Cond-001981	NPD2087	NPD2087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2581619725	CCOc1c(OC)cccc1C1CN2C(=O)CN(CCCCCO)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H35N3O5/c1-4-37-26-19(12-10-14-23(26)36-3)21-17-32-24(34)18-31(15-8-5-9-16-33)28(35)29(32,2)27-25(21)20-11-6-7-13-22(20)30-27/h6-7,10-14,21,30,33H,4-5,8-9,15-18H2,1-3H3/t21?,29-/m0/s1	C29H35N3O5	505.605	8	2	95.1	5	9	0	-2.9142	3.62339000000001	3.77	3.041	78.7148	144.1638	3.8576	468.871005167042
Cond-001982	NPD2088	NPD2088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.1340025339	CCOc1c(OC)cccc1C1CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H35N3O4/c1-4-40-30-23(16-10-18-27(30)39-3)25-20-36-28(37)21-35(19-11-14-22-12-6-5-7-13-22)32(38)33(36,2)31-29(25)24-15-8-9-17-26(24)34-31/h5-10,12-13,15-18,25,34H,4,11,14,19-21H2,1-3H3/t25?,33-/m0/s1	C33H35N3O4	537.649	7	1	74.87	6	8	1	-1.8271	5.09359000000001	4.32	6.933	70.4802	157.99	4.1249	498.098882166747
Cond-001983	NPD2089	NPD2089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.5464985925	CC(C)[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(C)C	InChI=1S/C23H36N4O3/c1-14(2)17-6-8-19(9-7-17)26-21(28)16(5)25-22(29)18-10-12-27(13-11-18)23(30)20(24)15(3)4/h6-9,14-16,18,20H,10-13,24H2,1-5H3,(H,25,29)(H,26,28)/t16-,20-/m0/s1	C23H36N4O3	416.557	7	4	104.53	2	10	0	-2.4689	3.30908	3.22	3.276	86.4957	122.3688	3.4494	425.290156423686
Cond-001984	NPD209	NPD209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5181880577	COc1ccc(Nc2c3c4c(cccc4)c(=O)c4c3c(ccc4)n(C)c2=O)cc1	InChI=1S/C24H18N2O3/c1-26-19-9-5-8-18-20(19)21(16-6-3-4-7-17(16)23(18)27)22(24(26)28)25-14-10-12-15(29-2)13-11-14/h3-13,25H,1-2H3	C24H18N2O3	382.411	5	1	58.64	5	3	1	-1.4431	5.00036	3.55	5.81	37.5262	114.9917	2.8069	345.904492326019
Cond-001985	NPD2090	NPD2090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.9802197255	N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C23H27N3O4/c24-19(15-16-7-3-1-4-8-16)22(28)26-13-11-18(12-14-26)21(27)25-20(23(29)30)17-9-5-2-6-10-17/h1-10,18-20H,11-15,24H2,(H,25,27)(H,29,30)/t19-,20-/m0/s1	C23H27N3O4	409.478	7	4	112.73	3	9	0	-3.2086	1.62989	3.22	2.472	56.7046	114.8519	3.1707	391.91778811288
Cond-001986	NPD2091	NPD2091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.456821905	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H29N3O2/c1-3-20-13-15-22(16-14-20)24-18-33-26(34)19-32(17-21-9-5-4-6-10-21)29(35)30(33,2)28-27(24)23-11-7-8-12-25(23)31-28/h4-16,24,31H,3,17-19H2,1-2H3/t24?,30-/m0/s1	C30H29N3O2	463.57	5	1	56.41	6	4	1	-1.4414	4.47659000000001	4.21	7.996	54.1283	139.407	3.5848	428.630474888025
Cond-001987	NPD2093	NPD2093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.01000098	NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)c1c(N)cccc1)C(=O)NCC(=O)NCc1ccc(cc1)N(=O)=O	InChI=1S/C27H35N9O6/c28-20-6-2-1-5-19(20)26(40)35-14-4-8-22(35)25(39)34-21(7-3-13-31-27(29)30)24(38)33-16-23(37)32-15-17-9-11-18(12-10-17)36(41)42/h1-2,5-6,9-12,21-22H,3-4,7-8,13-16,28H2,(H,32,37)(H,33,38)(H,34,39)(H4,29,30,31)	C27H35N9O6	581.624	15	9	238.67	3	18	3	-4.7317	-0.549839999999999	2.78	2.288	86.0684	158.0863	4.3215	536.75336516407
Cond-001988	NPD2094	NPD2094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.808812584	CC(C)c1c(O)c(O)c(/C=N/C23CN4CN(CN(C4)C2)C3)c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)c(C(C)C)c(O)c(O)c2/C=N/C12CN3CN(CN(C3)C1)C2	InChI=1S/C44H54N8O6/c1-23(2)31-27-7-25(5)33(39(55)35(27)29(37(53)41(31)57)9-45-43-11-47-17-48(12-43)19-49(13-43)18-47)34-26(6)8-28-32(24(3)4)42(58)38(54)30(36(28)40(34)56)10-46-44-14-50-20-51(15-44)22-52(16-44)21-50/h7-10,23-24,53-58H,11-22H2,1-6H3/b45-9+,46-10+	C44H54N8O6	790.95	14	6	165.54	4	7	1	-0.788400000000001	6.05179	4.76	3.328	145.7	235.404799999999	5.85680000000002	711.493132690032
Cond-001989	NPD2095	NPD2095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.303518003	CC(C)C1=C(O)C(=O)/C(=C\NC2=NCCS2)/c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)C(=C(O)C(=O)/C/2=C\NC1=NCCS1)C(C)C	InChI=1S/C36H38N4O6S2/c1-15(2)23-19-11-17(5)25(31(43)27(19)21(29(41)33(23)45)13-39-35-37-7-9-47-35)26-18(6)12-20-24(16(3)4)34(46)30(42)22(28(20)32(26)44)14-40-36-38-8-10-48-36/h11-16,43-46H,7-10H2,1-6H3,(H,37,39)(H,38,40)/b21-13-,22-14-	C36H38N4O6S2	686.84	10	6	214.44	6	7	2	0.765000000000002	6.00779000000001	4.1	6.012	144.911	196.3808	5.00580000000001	632.109180367234
Cond-001990	NPD2096	NPD2096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.8522236772	COc1cc2c(cc1OC)c(O)c(C(=O)NCCN1CCCCC1)c(=O)[nH]2	InChI=1S/C19H25N3O5/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-6-9-22-7-4-3-5-8-22/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25)	C19H25N3O5	375.419	8	3	100.13	3	7	0	-2.4685	2.17837	2.67	2.418	70.7002	103.4492	2.7948	350.333452412374
Cond-001991	NPD2097	NPD2097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.2114803625	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Br)cc1)C(=O)CN(CCc1ccc(Cl)cc1)C2=O	InChI=1S/C29H25BrClN3O2/c1-29-27-26(22-4-2-3-5-24(22)32-27)23(19-8-10-20(30)11-9-19)16-34(29)25(35)17-33(28(29)36)15-14-18-6-12-21(31)13-7-18/h2-13,23,32H,14-17H2,1H3/t23?,29-/m0/s1	C29H25BrClN3O2	562.885	5	1	56.41	6	4	1	0.1404	5.71209000000001	3.88	6.304	62.4443	148.362	3.74130000000001	445.829177010158
Cond-001992	NPD2098	NPD2098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1841909393	CCCCc1c(C)/c/2=C(/C3=N/C(=C\c4c(CCCC)c(C)c([nH]4)/C(=C/4\N=C(/C=c/1\[nH]2)C(=C4C)CCCC)/c1cc(OC)ccc1)/C(=C3C)CCCC)\c1cccc(OC)c1	InChI=1S/C54H66N4O2/c1-11-15-25-41-33(5)51-49(37-21-19-23-39(29-37)59-9)52-35(7)43(27-17-13-3)47(57-52)32-48-44(28-18-14-4)36(8)54(58-48)50(38-22-20-24-40(30-38)60-10)53-34(6)42(26-16-12-2)46(56-53)31-45(41)55-51/h19-24,29-32,55,58H,11-18,25-28H2,1-10H3/b45-31-,46-31-,47-32-,48-32-,51-49-,52-49-,53-50-,54-50-	C54H66N4O2	803.127	6	2	75.82	7	16	2	-0.0723999999999995	15.185	6.74	15.072	125.346	258.719999999999	6.74260000000002	818.292113912187
Cond-001993	NPD2099	NPD2099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.405101802	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CCO)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H33N3O5/c1-4-14-36-22-11-10-18(15-23(22)35-5-2)20-16-31-24(33)17-30(12-13-32)27(34)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,15,20,29,32H,4-5,12-14,16-17H2,1-3H3/t20?,28-/m0/s1	C28H33N3O5	491.579	8	2	95.1	5	8	0	-2.3776	3.23329000000001	3.66	2.748	77.8058	139.5468	3.7167	451.575020541175
Cond-001994	NPD21	NPD21	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4151784615	COc1c(Oc2c3c4c(onc4cc2)c2c(cccc2)C3=O)ccc(/C=C/C)c1	InChI=1S/C24H17NO4/c1-3-6-14-9-11-18(20(13-14)27-2)28-19-12-10-17-21-22(19)23(26)15-7-4-5-8-16(15)24(21)29-25-17/h3-13H,1-2H3/b6-3+	C24H17NO4	383.396	5	0	61.56	5	4	1	0.2835	6.61326	3.55	6.44	31.9511	116.599	2.7658	332.797958818413
Cond-001995	NPD210	NPD210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1760834472	CO[C@H]1[C@H](O[C@@H]2OC3(CCCCC3)O[C@H]12)C1COC2(CCCCC2)O1	InChI=1S/C19H30O6/c1-20-15-14(13-12-21-18(23-13)8-4-2-5-9-18)22-17-16(15)24-19(25-17)10-6-3-7-11-19/h13-17H,2-12H2,1H3/t13?,14-,15+,16-,17-/m1/s1	C19H30O6	354.438	6	0	55.38	5	2	0	-3.7201	2.8779	2.89	2.68	70.6098	87.873	2.5949	328.139233291635
Cond-001996	NPD2100	NPD2100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.397669743	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(Nc5ccc(C)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C)/C	InChI=1S/C42H50N2O11/c1-19-13-15-26(16-14-19)43-31-32-38(50)29-28(37(31)49)30-39(25(7)36(29)48)55-42(8,40(30)51)54-18-17-27(53-9)22(4)34(46)24(6)35(47)23(5)33(45)20(2)11-10-12-21(3)41(52)44-32/h10-18,20,22-24,27,33-35,43,45-48H,1-9H3,(H,44,52)/b11-10-,18-17-,21-12-/t20-,22+,23+,24+,27-,33-,34+,35-,42-/m0/s1	C42H50N2O11	758.853	13	6	200.95	4	3	2	-1.4575	5.71177000000001	4.65	4.474	157.9817	208.392299999999	5.72670000000001	733.181111794504
Cond-001997	NPD2101	NPD2101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8594578882	CC(C)C(NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1)C(=O)NC(CCC(=O)N)C(=O)O	InChI=1S/C33H48N4O7/c1-6-33(43)16-13-24-22-8-7-20-17-21(11-14-31(20,4)23(22)12-15-32(24,33)5)37-44-18-27(39)36-28(19(2)3)29(40)35-25(30(41)42)9-10-26(34)38/h1,17,19,22-25,28,43H,7-16,18H2,2-5H3,(H2,34,38)(H,35,40)(H,36,39)(H,41,42)/b37-21+/t22?,23?,24?,25?,28?,31-,32-,33+/m0/s1	C33H48N4O7	612.757	11	6	180.41	4	13	1	-1.0009	3.05116000000001	3.88	2.674	155.5038	168.1224	4.79000000000001	614.325074681395
Cond-001998	NPD2102	NPD2102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4596542865	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1ccccc1	InChI=1S/C26H18O5/c1-16-22(29-15-17-7-3-2-4-8-17)12-11-19-20(14-24(27)31-25(16)19)21-13-18-9-5-6-10-23(18)30-26(21)28/h2-14H,15H2,1H3	C26H18O5	410.418	5	0	61.83	5	4	1	0.755	5.18388	3.77	7.238	42.5387	119.273	2.9635	373.446935861741
Cond-001999	NPD2103	NPD2103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8894764931	CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C21H32N2O5S/c1-4-15(3)19(23-29(27,28)18-11-5-14(2)6-12-18)20(24)22-13-16-7-9-17(10-8-16)21(25)26/h5-6,11-12,15-17,19,23H,4,7-10,13H2,1-3H3,(H,22,24)(H,25,26)/t15-,16-,17-,19-/m0/s1	C21H32N2O5S	424.554	7	3	120.95	2	10	0	-0.8463	3.1626	2.89	3.59	80.9167	108.6792	3.2919	407.430602915141
Cond-002000	NPD2104	NPD2104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.1536334421	N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C26H30N4O4/c27-21(15-19-16-28-22-9-5-4-8-20(19)22)25(32)30-12-10-18(11-13-30)24(31)29-23(26(33)34)14-17-6-2-1-3-7-17/h1-9,16,18,21,23,28H,10-15,27H2,(H,29,31)(H,33,34)/t21-,23-/m0/s1	C26H30N4O4	462.541	8	5	128.52	4	10	0	-3.5666	2.24558	3.44	1.851	64.87	133.7109	3.5416	428.909584797047
Cond-002001	NPD2105	NPD2105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.0412296654	NC(=O)CC1NC2(C3C1C(=O)N(Cc1ccccc1)C3=O)C(=O)Nc1ccccc21	InChI=1S/C22H20N4O4/c23-16(27)10-15-17-18(20(29)26(19(17)28)11-12-6-2-1-3-7-12)22(25-15)13-8-4-5-9-14(13)24-21(22)30/h1-9,15,17-18,25H,10-11H2,(H2,23,27)(H,24,30)	C22H20N4O4	404.419	8	4	121.6	5	4	0	-3.0266	0.690689999999999	3	1.915	52.7715	108.6818	2.8694	358.26918759278
Cond-002002	NPD2106	NPD2106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0365710869	COc1ccc(OC)c(c1)N1C(=O)C2C3CCCN3C3(C2C1=O)C(=O)Nc1c3cc(C)cc1Cl	InChI=1S/C25H24ClN3O5/c1-12-9-14-21(15(26)10-12)27-24(32)25(14)20-19(16-5-4-8-28(16)25)22(30)29(23(20)31)17-11-13(33-2)6-7-18(17)34-3/h6-7,9-11,16,19-20H,4-5,8H2,1-3H3,(H,27,32)	C25H24ClN3O5	481.928	8	1	88.18	6	3	0	-1.2863	3.8911	3.22	1.734	71.9513	127.5447	3.3078	413.441675733208
Cond-002003	NPD2107	NPD2107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.9207679563	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(Cc1ccco1)C2=O	InChI=1S/C26H22ClN3O3/c1-26-24-23(19-6-2-3-7-21(19)28-24)20(16-8-10-17(27)11-9-16)14-30(26)22(31)15-29(25(26)32)13-18-5-4-12-33-18/h2-12,20,28H,13-15H2,1H3/t20?,26-/m0/s1	C26H22ClN3O3	459.924	6	1	69.55	6	3	0	-1.1581	4.14139000000001	3.55	4.119	51.0125	129.734	3.2453	386.084289556352
Cond-002004	NPD2108	NPD2108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.916866507	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(Nc5ccc(F)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C43H49FN2O12/c1-19-11-10-12-20(2)42(54)46-33-32(45-27-15-13-26(44)14-16-27)37(51)29-30(38(33)52)36(50)24(6)40-31(29)41(53)43(8,58-40)56-18-17-28(55-9)21(3)39(57-25(7)47)23(5)35(49)22(4)34(19)48/h10-19,21-23,28,34-35,39,45,48-50H,1-9H3,(H,46,54)/b11-10-,18-17-,20-12-/t19-,21+,22+,23-,28-,34-,35-,39+,43-/m0/s1	C43H49FN2O12	804.854	14	5	207.02	4	5	1	-1.24069999999999	6.02306000000001	4.54	4.639	162.5036	211.8383	5.90100000000002	762.698423270438
Cond-002005	NPD2109	NPD2109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0863309353	CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccccc1F	InChI=1S/C27H35FN4O3/c1-18(2)24(26(34)30-17-21-10-6-7-11-22(21)28)31-25(33)20-12-14-32(15-13-20)27(35)23(29)16-19-8-4-3-5-9-19/h3-11,18,20,23-24H,12-17,29H2,1-2H3,(H,30,34)(H,31,33)/t23-,24-/m0/s1	C27H35FN4O3	482.59	7	4	104.53	3	12	2	-2.5394	2.28569	3.55	5.043	76.7793	134.9278	3.7931	469.375818974259
Cond-002006	NPD211	NPD211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3554739888	OC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1cc(ccc1O)N(=O)=O	InChI=1S/C18H15N3O5/c22-15-6-5-9(21(25)26)7-12(15)17-16-11(8-14(20-17)18(23)24)10-3-1-2-4-13(10)19-16/h1-7,14,17,19-20,22H,8H2,(H,23,24)	C18H15N3O5	353.329	8	4	128.49	4	3	0	-1.0259	2.55368	2.56	2.696	31.86	100.7365	2.4163	290.971632983307
Cond-002007	NPD2110	NPD2110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.4819012979	CC(C)C[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C)cc1	InChI=1S/C23H36N4O3/c1-15(2)13-20(24)23(30)27-11-9-19(10-12-27)22(29)26-17(4)21(28)25-14-18-7-5-16(3)6-8-18/h5-8,15,17,19-20H,9-14,24H2,1-4H3,(H,25,28)(H,26,29)/t17-,20-/m0/s1	C23H36N4O3	416.557	7	4	104.53	2	11	1	-2.1326	1.34191	3.22	3.344	86.894	118.7548	3.4494	425.290156423686
Cond-002008	NPD2112	NPD2112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.9421539075	CSCCC1NC2(C3C1C(=O)N(C3=O)c1ccc3OCCOc3c1)C(=O)Nc1ccccc21	InChI=1S/C24H23N3O5S/c1-33-11-8-16-19-20(24(26-16)14-4-2-3-5-15(14)25-23(24)30)22(29)27(21(19)28)13-6-7-17-18(12-13)32-10-9-31-17/h2-7,12,16,19-20,26H,8-11H2,1H3,(H,25,30)	C24H23N3O5S	465.522	8	2	122.27	6	4	0	-2.3067	3.71137	3.11	2.394	69.8452	129.0364	3.208	399.443647394508
Cond-002009	NPD2113	NPD2113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.742101568	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)O	InChI=1S/C24H28N4O7/c1-12(2)10-17(20(31)26-16(21(32)33)11-18(29)30)28-22(34)24(3)19-14(8-9-27(24)23(28)35)13-6-4-5-7-15(13)25-19/h4-7,12,16-17,25H,8-11H2,1-3H3,(H,26,31)(H,29,30)(H,32,33)/t16-,17-,24-/m0/s1	C24H28N4O7	484.502	11	4	160.11	4	9	1	-1.3151	1.47828	2.89	1.488	87.1781	127.3033	3.4789	434.224754347797
Cond-002010	NPD2114	NPD2114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4896204249	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)C45CC6CC(CC(C6)C4)C5)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C48H59NO13/c1-22-11-10-12-23(2)45(56)49-32-18-33(51)35-36(40(32)54)42(61-46(57)48-19-29-15-30(20-48)17-31(16-29)21-48)27(6)43-37(35)44(55)47(8,62-43)59-14-13-34(58-9)24(3)41(60-28(7)50)26(5)39(53)25(4)38(22)52/h10-14,18,22,24-26,29-31,34,38-39,41,52-53H,15-17,19-21H2,1-9H3,(H,49,56)/b11-10-,14-13-,23-12-/t22-,24+,25+,26-,29?,30?,31?,34-,38-,39-,41+,47-,48?/m0/s1	C48H59NO13	857.981	14	3	201.06	3	6	2	-0.728000000000008	6.26027000000001	5.2	5.646	202.5443	227.204799999999	6.41550000000002	832.364254041859
Cond-002011	NPD2115	NPD2115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.014093786	[C@H](CCC(=O)O)(NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C2(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C1O)C(=O)O	InChI=1S/C57H83N3O25/c1-52(2)30-14-17-57(7)43(29(61)22-24-25-23-54(4,19-18-53(25,3)20-21-56(24,57)6)51(81)60-28(48(79)80)10-13-34(66)67)55(30,5)16-15-31(52)82-50-42(38(71)37(70)41(84-50)45(74)59-27(47(77)78)9-12-33(64)65)85-49-39(72)35(68)36(69)40(83-49)44(73)58-26(46(75)76)8-11-32(62)63/h22,25-28,30-31,35-43,49-50,68-72H,8-21,23H2,1-7H3,(H,58,73)(H,59,74)(H,60,81)(H,62,63)(H,64,65)(H,66,67)(H,75,76)(H,77,78)(H,79,80)/t25?,26-,27-,28+,30?,31?,35?,36?,37?,38?,39?,40?,41?,42?,43?,49?,50?,53-,54+,55+,56-,57-/m1/s1	C57H83N3O25	1210.27	28	14	466.24	7	25	3	-5.46100000000001	0.45448000000001	4.65	2.791	275.1749	288.812899999999	8.67360000000003	1131.67727389933
Cond-002012	NPD2116	NPD2116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.0453152637	CCc1cccc2c1NC(=O)C12C2C(C3CCCN13)C(=O)N(C2=O)c1ccc(OC(=O)C)cc1	InChI=1S/C26H25N3O5/c1-3-15-6-4-7-18-22(15)27-25(33)26(18)21-20(19-8-5-13-28(19)26)23(31)29(24(21)32)16-9-11-17(12-10-16)34-14(2)30/h4,6-7,9-12,19-21H,3,5,8,13H2,1-2H3,(H,27,33)	C26H25N3O5	459.494	8	1	96.02	6	4	0	-2.3433	3.59917	3.44	2.872	68.2686	127.8487	3.2833	412.890133887841
Cond-002013	NPD2117	NPD2117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1268011527	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCCCC)C2=O)c1ccc(cc1)N(=O)=O	InChI=1S/C25H26N4O4/c1-2-3-6-13-27-15-22(30)28-21(25(27)31)14-19-18-7-4-5-8-20(18)26-23(19)24(28)16-9-11-17(12-10-16)29(32)33/h4-5,7-12,21,24,26H,2-3,6,13-15H2,1H3/t21-,24?/m0/s1	C25H26N4O4	446.498	8	1	99.55	5	6	0	-2.1779	3.60958000000001	3.33	5	57.5668	128.566	3.2921	399.25714147038
Cond-002014	NPD2118	NPD2118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.3526946691	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(C1CC1)C2=O	InChI=1S/C24H22ClN3O2/c1-24-22-21(17-4-2-3-5-19(17)26-22)18(14-6-8-15(25)9-7-14)12-28(24)20(29)13-27(23(24)30)16-10-11-16/h2-9,16,18,26H,10-13H2,1H3/t18?,24-/m0/s1	C24H22ClN3O2	419.903	5	1	56.41	6	2	0	-1.642	3.86929	3.44	3.78	53.9023	118.671	2.9908	358.875011005658
Cond-002015	NPD2119	NPD2119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.2003348764	[C@@H]1(OC(=O)CCC(=O)NC(C(O)c2cc(ccc2)N(=O)=O)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C28H36N2O12/c1-14-7-8-19-15(2)25(39-26-28(19)18(14)11-12-27(3,40-26)41-42-28)38-21(32)10-9-20(31)29-22(24(34)35)23(33)16-5-4-6-17(13-16)30(36)37/h4-6,13-15,18-19,22-23,25-26,33H,7-12H2,1-3H3,(H,29,31)(H,34,35)/t14-,15-,18+,19+,22?,23?,25-,26-,27+,28?/m1/s1	C28H36N2O12	592.592	14	3	192.99	4	11	2	-0.194799999999998	2.48079	3	3.69	102.2649	144.1153	4.1138	529.182764638536
Cond-002016	NPD212	NPD212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3798279559	COc1ccc2C3N(C(=O)c2c1OC)c1c(cccc1)C(=O)N3c1cccc(Br)c1	InChI=1S/C23H17BrN2O4/c1-29-18-11-10-16-19(20(18)30-2)23(28)26-17-9-4-3-8-15(17)22(27)25(21(16)26)14-7-5-6-13(24)12-14/h3-12,21H,1-2H3	C23H17BrN2O4	465.296	6	0	59.08	5	3	0	-0.352200000000001	4.94008	3.22	4.998	41.2912	119.1575	2.9427	359.31881207908
Cond-002017	NPD2120	NPD2120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.7089228634	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(cc(=O)oc3c2C)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C30H30O12/c1-15-23(12-11-21-22(13-25(35)42-26(15)21)20-9-7-6-8-10-20)40-30-29(39-19(5)34)28(38-18(4)33)27(37-17(3)32)24(41-30)14-36-16(2)31/h6-13,24,27-30H,14H2,1-5H3/t24-,27+,28+,29-,30-/m1/s1	C30H30O12	582.552	12	0	149.96	4	12	2	0.0256000000000005	3.63469000000001	3.44	5.439	92.4011	148.391	4.08960000000001	530.055378670736
Cond-002018	NPD2121	NPD2121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	99.8829861924	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H27Cl2N3O2/c1-3-18-8-11-20(12-9-18)22-16-35-26(36)17-34(15-19-10-13-23(31)24(32)14-19)29(37)30(35,2)28-27(22)21-6-4-5-7-25(21)33-28/h4-14,22,33H,3,15-17H2,1-2H3/t22?,30-/m0/s1	C30H27Cl2N3O2	532.46	5	1	56.41	6	4	1	0.0472000000000001	5.78339000000001	3.99	7.555	65.3595	149.427	3.8296	459.052610428891
Cond-002019	NPD2122	NPD2122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.445147628	COc1cc2c(cc1)c1ccc(OC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)c(C)c1oc2=O	InChI=1S/C25H23NO7S/c1-14-5-8-18(9-6-14)34(29,30)26-16(3)24(27)32-22-12-11-20-19-10-7-17(31-4)13-21(19)25(28)33-23(20)15(22)2/h5-13,16,26H,1-4H3	C25H23NO7S	481.518	8	1	116.38	4	7	1	0.00769999999999943	4.81021	3.22	5.091	51.2665	126.5187	3.3979	420.866565005163
Cond-002020	NPD2123	NPD2123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0606178735	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CCCN(CC)CC)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H44N4O4/c1-6-19-41-27-16-15-23(20-28(27)40-9-4)25-21-37-29(38)22-36(18-12-17-35(7-2)8-3)32(39)33(37,5)31-30(25)24-13-10-11-14-26(24)34-31/h10-11,13-16,20,25,34H,6-9,12,17-19,21-22H2,1-5H3/t25?,33-/m0/s1	C33H44N4O4	560.727	8	1	78.11	5	12	1	-1.4867	4.97289000000001	4.21	4.514	101.0318	164.866	4.4623	540.261477178113
Cond-002021	NPD2125	NPD2125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7150375207	COc1c(cccc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(cc1)N(=O)=O	InChI=1S/C27H22N4O5/c1-27-24-23(19-8-3-5-9-21(19)28-24)20(18-7-4-6-10-22(18)36-2)15-29(27)26(33)30(25(27)32)16-11-13-17(14-12-16)31(34)35/h3-14,20,28H,15H2,1-2H3/t20?,27-/m0/s1	C27H22N4O5	482.487	9	1	108.78	6	4	1	-0.4314	4.51848000000001	3.44	5.465	45.7105	138.358	3.39500000000001	411.473502619475
Cond-002022	NPD2126	NPD2126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8129396587	CCCCc1cc(=O)oc2cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C26H31NO6S/c1-3-4-8-20-17-26(29)33-24-18-21(12-15-23(20)24)32-25(28)9-6-5-7-16-27-34(30,31)22-13-10-19(2)11-14-22/h10-15,17-18,27H,3-9,16H2,1-2H3	C26H31NO6S	485.592	7	1	107.15	3	13	2	-1.5911	5.71738000000001	3.44	6.434	72.834	128.8907	3.6747	457.901699032869
Cond-002023	NPD2127	NPD2127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9417325584	COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c(C)c(OCc3c(F)cccc3F)ccc12	InChI=1S/C27H18F2O6/c1-14-22(33-13-19-20(28)6-4-7-21(19)29)10-9-16-17(12-24(30)34-25(14)16)18-11-15-5-3-8-23(32-2)26(15)35-27(18)31/h3-12H,13H2,1-2H3	C27H18F2O6	476.425	6	0	71.06	5	5	1	1.6626	5.47068	3.55	5.868	51.5995	125.741	3.1985	411.668264888781
Cond-002024	NPD2128	NPD2128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6778428743	CN(C)c1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)n(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c1=O	InChI=1S/C57H48N4O16/c1-59(2)47-48(62)60(49-45(76-55(67)39-29-17-7-18-30-39)43(74-53(65)37-25-13-5-14-26-37)41(72-49)33-70-51(63)35-21-9-3-10-22-35)57(69)61(58-47)50-46(77-56(68)40-31-19-8-20-32-40)44(75-54(66)38-27-15-6-16-28-38)42(73-50)34-71-52(64)36-23-11-4-12-24-36/h3-32,41-46,49-50H,33-34H2,1-2H3	C57H48N4O16	1045.01	20	0	232.48	9	23	3	-1.8928	6.56028000000002	5.53	16.544	112.1313	272.981499999999	7.33990000000002	931.265737188044
Cond-002025	NPD2129	NPD2129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.623014595	CC(=O)OC[C@H]1O[C@@H](Oc2c3c(oc(=O)c4c3CCCC4)cc(C)c2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C28H32O12/c1-13-10-20-23(18-8-6-7-9-19(18)27(33)38-20)21(11-13)39-28-26(37-17(5)32)25(36-16(4)31)24(35-15(3)30)22(40-28)12-34-14(2)29/h10-11,22,24-26,28H,6-9,12H2,1-5H3/t22-,24+,25+,26-,28-/m1/s1	C28H32O12	560.546	12	0	149.96	4	11	1	-0.514500000000001	2.97509000000001	3.22	3.251	106.8101	137.931	3.9368	514.272785521403
Cond-002026	NPD213	NPD213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.7206137955	COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C35H45NO9/c1-33-15-13-23(37)18-22(33)9-10-24-25-14-16-35(43,34(25,2)19-27(38)31(24)33)28(39)20-45-30(41)12-11-29(40)36-26(32(42)44-3)17-21-7-5-4-6-8-21/h4-8,18,24-27,31,38,43H,9-17,19-20H2,1-3H3,(H,36,40)/t24?,25?,26?,27?,31?,33-,34-,35-/m0/s1	C35H45NO9	623.733	10	3	156.3	5	13	1	-1.4011	3.17328000000001	4.21	3.518	136.8103	165.3153	4.7382	607.614299308151
Cond-002027	NPD2130	NPD2130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.796938207	COc1c(OC)cc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(O)C[C@]23C)cc1	InChI=1S/C35H45NO9/c1-33-14-11-23(37)18-22(33)6-7-24-25-12-15-35(42,34(25,2)19-26(38)32(24)33)29(39)20-45-31(41)10-9-30(40)36-16-13-21-5-8-27(43-3)28(17-21)44-4/h5,8,11,14,17-18,24-26,32,38,42H,6-7,9-10,12-13,15-16,19-20H2,1-4H3,(H,36,40)/t24?,25?,26?,32?,33-,34-,35-/m0/s1	C35H45NO9	623.733	10	3	148.46	5	13	1	-0.890100000000003	3.35107000000001	4.21	2.237	141.2582	167.1183	4.7382	607.614299308151
Cond-002028	NPD2131	NPD2131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3302129651	Cc1nn(c(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)c1)c1ccccn1	InChI=1S/C22H19N5O4/c1-13-12-18(27(25-13)17-8-4-5-11-23-17)24-20(29)16-9-10-19(28)26(16)21-14-6-2-3-7-15(14)22(30)31-21/h2-8,11-12,16,21H,9-10H2,1H3,(H,24,29)/t16-,21?/m0/s1	C22H19N5O4	417.417	9	1	105.9	5	5	0	-1.1861	3.2654	2.89	3.49	43.7663	113.6377	2.9262	355.729489100146
Cond-002029	NPD2132	NPD2132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.6420802752	COc1ccc(cc1)C(=O)c1coc2c1c(CN(C)C)c(O)c1c2cccc1	InChI=1S/C23H21NO4/c1-24(2)12-18-20-19(21(25)14-8-10-15(27-3)11-9-14)13-28-23(20)17-7-5-4-6-16(17)22(18)26/h4-11,13,26H,12H2,1-3H3	C23H21NO4	375.417	5	1	62.91	4	5	0	-0.7006	4.20249000000001	3.44	3.639	35.8491	113.8968	2.8195	333.131350294946
Cond-002030	NPD2133	NPD2133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.6864811181	COC(=O)C(Cc1ccc(O)c(c1)N(=O)=O)NC(=O)CO/N=C/1\C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(C)O)C3CCC2=C1	InChI=1S/C32H41N3O8/c1-30-12-9-21(17-20(30)6-7-22-23(30)10-13-31(2)24(22)11-14-32(31,3)39)34-43-18-28(37)33-25(29(38)42-4)15-19-5-8-27(36)26(16-19)35(40)41/h5,8-9,12,16-17,22-25,36,39H,6-7,10-11,13-15,18H2,1-4H3,(H,33,37)/b34-21+/t22?,23?,24?,25?,30-,31-,32-/m0/s1	C32H41N3O8	595.683	11	3	160.59	5	10	1	0.557800000000002	4.82865000000001	3.77	6.751	130.4557	167.1855	4.4564	568.929639146324
Cond-002031	NPD2134	NPD2134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6791096228	CC(Oc1ccc2c(oc(=O)cc2c2ccccc2)c1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C26H27NO6/c1-16(25(29)27-15-17-7-9-19(10-8-17)26(30)31)32-20-11-12-21-22(18-5-3-2-4-6-18)14-24(28)33-23(21)13-20/h2-6,11-14,16-17,19H,7-10,15H2,1H3,(H,27,29)(H,30,31)/t16?,17-,19-	C26H27NO6	449.496	7	2	101.93	4	8	1	-0.4769	4.36377000000001	3.55	5.843	69.7603	126.0235	3.3596	424.399757573669
Cond-002032	NPD2135	NPD2135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0042880811	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(Cc3c(Cl)cccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H32ClN3O4/c1-4-15-40-26-14-13-20(16-27(26)39-3)23-18-36-28(37)19-35(17-21-9-5-7-11-24(21)33)31(38)32(36,2)30-29(23)22-10-6-8-12-25(22)34-30/h5-14,16,23,34H,4,15,17-19H2,1-3H3/t23?,32-/m0/s1	C32H32ClN3O4	558.067	7	1	74.87	6	7	1	-1.435	5.36499000000001	4.1	5.616	71.8508	157.377	4.1064	496.013965311314
Cond-002033	NPD2136	NPD2136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0787447617	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(CCc1ccc(Cl)cc1)C2=O	InChI=1S/C29H25Cl2N3O2/c1-29-27-26(22-4-2-3-5-24(22)32-27)23(19-8-12-21(31)13-9-19)16-34(29)25(35)17-33(28(29)36)15-14-18-6-10-20(30)11-7-18/h2-13,23,32H,14-17H2,1H3/t23?,29-/m0/s1	C29H25Cl2N3O2	518.434	5	1	56.41	6	4	1	-0.00410000000000021	5.60299000000001	3.88	5.966	59.4608	145.672	3.6887	441.756625803025
Cond-002034	NPD2137	NPD2137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.336663262	CC(C)[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1	InChI=1S/C21H32N4O3/c1-13(2)18(22)21(28)25-11-9-16(10-12-25)20(27)23-15(4)19(26)24-17-7-5-14(3)6-8-17/h5-8,13,15-16,18H,9-12,22H2,1-4H3,(H,23,27)(H,24,26)/t15-,18-/m0/s1	C21H32N4O3	388.504	7	4	104.53	2	9	0	-2.3998	2.2137	3	2.199	77.73	111.9198	3.1676	390.698187171953
Cond-002035	NPD2138	NPD2138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.233429395	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(C1CCN(Cc3ccccc3)CC1)C2=O)c1cc(Br)ccc1	InChI=1S/C32H31BrN4O2/c33-23-10-6-9-22(17-23)31-30-26(25-11-4-5-12-27(25)34-30)18-28-32(39)36(20-29(38)37(28)31)24-13-15-35(16-14-24)19-21-7-2-1-3-8-21/h1-12,17,24,28,31,34H,13-16,18-20H2/t28-,31?/m0/s1	C32H31BrN4O2	583.518	6	1	59.65	7	4	1	-1.7265	4.73978000000001	4.21	6.932	69.1859	157.331	4.0328	481.146364624692
Cond-002036	NPD2139	NPD2139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7988700845	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c1c2	InChI=1S/C23H27NO6/c1-12-15(4)29-21-14(3)22-17(10-16(12)21)13(2)18(23(28)30-22)11-19(25)24-9-7-5-6-8-20(26)27/h10H,5-9,11H2,1-4H3,(H,24,25)(H,26,27)	C23H27NO6	413.464	7	2	105.84	3	9	0	0.539499999999998	4.07614000000001	3.22	2.703	75.2342	116.8265	3.1315	390.141179798469
Cond-002037	NPD214	NPD214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.2713823846	COC(=O)c1ccc(COc2cc3c(cc2)c(=O)c(c2ccc(o2)C(=O)OC)c(C)o3)o1	InChI=1S/C23H18O9/c1-12-20(16-8-9-18(32-16)23(26)28-3)21(24)15-6-4-13(10-19(15)30-12)29-11-14-5-7-17(31-14)22(25)27-2/h4-10H,11H2,1-3H3	C23H18O9	438.384	9	0	114.41	4	8	0	-0.581300000000001	3.38417	3	3.577	54.6701	114.217	2.9702	374.349264888785
Cond-002038	NPD2140	NPD2140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9225221713	Oc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)ccc(Br)c3)c1	InChI=1S/C18H9BrO5/c19-10-1-4-15-9(5-10)6-14(18(22)24-15)13-8-17(21)23-16-7-11(20)2-3-12(13)16/h1-8,20H	C18H9BrO5	385.165	5	1	72.83	4	1	0	0.684	3.82896	2.78	3.922	41.869	92.6528	2.2489	285.528512635573
Cond-002039	NPD2141	NPD2141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.833684568	COc1ccc(CNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(O)C[C@]23C)cc1	InChI=1S/C33H41NO8/c1-31-14-12-22(35)16-21(31)6-9-24-25-13-15-33(40,32(25,2)17-26(36)30(24)31)27(37)19-42-29(39)11-10-28(38)34-18-20-4-7-23(41-3)8-5-20/h4-5,7-8,12,14,16,24-26,30,36,40H,6,9-11,13,15,17-19H2,1-3H3,(H,34,38)/t24?,25?,26?,30?,31-,32-,33-/m0/s1	C33H41NO8	579.681	9	3	139.23	5	11	1	-1.0939	2.96047000000001	4.1	2.323	129.4906	154.9433	4.3977	564.232103355858
Cond-002040	NPD2142	NPD2142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0069194036	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H35N3O5/c1-5-16-41-27-15-12-22(17-28(27)40-4)25-19-36-29(37)20-35(18-21-10-13-23(39-3)14-11-21)32(38)33(36,2)31-30(25)24-8-6-7-9-26(24)34-31/h6-15,17,25,34H,5,16,18-20H2,1-4H3/t25?,33-/m0/s1	C33H35N3O5	553.648	8	1	84.1	6	8	0	-2.2311	4.72019000000001	4.21	4.865	73.551	158.919	4.1836	506.889108867308
Cond-002041	NPD2143	NPD2143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.7123423446	C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3c(Cl)cc(Cl)cc3)c2C(=O)O1	InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m1/s1	C32H30Cl4O5	636.39	5	0	61.83	4	6	1	2.2672	9.04668000000001	3.99	9.159	88.6629	165.098	4.4501	553.060032100275
Cond-002042	NPD2144	NPD2144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5136065451	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CCCn3ccnc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H37N5O4/c1-4-17-41-26-12-11-22(18-27(26)40-5-2)24-19-37-28(38)20-36(15-8-14-35-16-13-33-21-35)31(39)32(37,3)30-29(24)23-9-6-7-10-25(23)34-30/h6-7,9-13,16,18,21,24,34H,4-5,8,14-15,17,19-20H2,1-3H3/t24?,32-/m0/s1	C32H37N5O4	555.667	9	1	92.69	6	10	0	-2.1921	4.52779000000001	3.99	3.735	81.0508	159.305	4.2266	505.432876658014
Cond-002043	NPD2146	NPD2146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.0676339808	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(CCC(C)C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H37N3O4/c1-18(2)13-14-32-17-26(34)33-16-22(20-11-12-24(37-19(3)4)25(15-20)36-6)27-21-9-7-8-10-23(21)31-28(27)30(33,5)29(32)35/h7-12,15,18-19,22,31H,13-14,16-17H2,1-6H3/t22?,30-/m0/s1	C30H37N3O4	503.632	7	1	74.87	5	7	0	-1.6171	4.89539000000001	3.99	4.994	85.0874	147.277	3.9398	477.376763092348
Cond-002044	NPD2147	NPD2147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9086043639	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1cc(OC)c(OC)c(OC)c1)C2=O)c1cc(Br)ccc1	InChI=1S/C30H28BrN3O5/c1-37-24-11-17(12-25(38-2)29(24)39-3)15-33-16-26(35)34-23(30(33)36)14-21-20-9-4-5-10-22(20)32-27(21)28(34)18-7-6-8-19(31)13-18/h4-13,23,28,32H,14-16H2,1-3H3/t23-,28?/m0/s1	C30H28BrN3O5	590.464	8	1	84.1	6	6	0	-1.2919	4.30118	3.77	4.571	69.5898	152.392	3.9359	474.284773967275
Cond-002045	NPD2148	NPD2148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9471701878	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1ccccc1Cl	InChI=1S/C26H17ClO5/c1-15-22(30-14-17-7-2-4-8-21(17)27)11-10-18-19(13-24(28)32-25(15)18)20-12-16-6-3-5-9-23(16)31-26(20)29/h2-13H,14H2,1H3	C26H17ClO5	444.863	5	0	61.83	5	4	1	1.4993	5.83728	3.66	6.912	48.1543	124.283	3.0859	388.658003632174
Cond-002046	NPD2149	NPD2149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.5112976757	CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(CC2)C(=O)[C@@H]2CCCN2)C(C)C)cc1	InChI=1S/C24H36N4O3/c1-4-17-7-9-19(10-8-17)26-23(30)21(16(2)3)27-22(29)18-11-14-28(15-12-18)24(31)20-6-5-13-25-20/h7-10,16,18,20-21,25H,4-6,11-15H2,1-3H3,(H,26,30)(H,27,29)/t20-,21-/m0/s1	C24H36N4O3	428.568	7	3	90.54	3	10	0	-3.0211	3.15288	3.33	3.241	86.293	125.0331	3.4817	430.229682348753
Cond-002047	NPD215	NPD215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.6682723345	COC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(=O)C)C3CCC2=C1)c1ccccc1	InChI=1S/C32H42N2O6/c1-20(35)32(38)17-14-26-24-11-10-22-18-23(12-15-30(22,2)25(24)13-16-31(26,32)3)34-40-19-27(36)33-28(29(37)39-4)21-8-6-5-7-9-21/h5-9,18,24-26,28,38H,10-17,19H2,1-4H3,(H,33,36)/b34-23-/t24?,25?,26?,28?,30-,31-,32-/m0/s1	C32H42N2O6	550.686	8	2	114.29	5	9	1	-0.661699999999999	4.64107000000001	4.1	5.759	123.3447	154.4155	4.2822	542.988884237836
Cond-002048	NPD2150	NPD2150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8060930424	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCCCCC)C2=O)c1ccc(cc1)N(=O)=O	InChI=1S/C26H28N4O4/c1-2-3-4-7-14-28-16-23(31)29-22(26(28)32)15-20-19-8-5-6-9-21(19)27-24(20)25(29)17-10-12-18(13-11-17)30(33)34/h5-6,8-13,22,25,27H,2-4,7,14-16H2,1H3/t22-,25?/m0/s1	C26H28N4O4	460.525	8	1	99.55	5	7	1	-2.4659	3.99968000000001	3.44	5.569	60.4784	133.183	3.433	416.553126096247
Cond-002049	NPD2151	NPD2151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.2733635241	Cc1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(Cl)cc1	InChI=1S/C21H18ClN3O/c1-13-20-17(16-4-2-3-5-18(16)25-20)12-19(24-13)21(26)23-11-10-14-6-8-15(22)9-7-14/h2-9,12,25H,10-11H2,1H3,(H,23,26)	C21H18ClN3O	363.84	4	2	57.78	4	5	1	0.3958	4.7216	3.22	5.112	31.2536	110.5307	2.6836	309.373289128296
Cond-002050	NPD2152	NPD2152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4526104517	Cc1c2oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C25H29NO6/c1-14-17-12-19-16-8-5-6-9-20(16)31-24(19)15(2)23(17)32-25(30)18(14)13-21(27)26-11-7-3-4-10-22(28)29/h12H,3-11,13H2,1-2H3,(H,26,27)(H,28,29)	C25H29NO6	439.501	7	2	105.84	4	9	0	-0.8	4.84419000000001	3.44	3.29	79.14	125.9225	3.3047	412.376690349402
Cond-002051	NPD2154	NPD2154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7314875372	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1=CCCCC1	InChI=1S/C33H45NO7/c1-31-15-12-23(35)18-22(31)8-9-24-25-13-16-33(40,32(25,2)19-26(36)30(24)31)27(37)20-41-29(39)11-10-28(38)34-17-14-21-6-4-3-5-7-21/h6,12,15,18,24-26,30,36,40H,3-5,7-11,13-14,16-17,19-20H2,1-2H3,(H,34,38)/t24?,25?,26?,30?,31-,32-,33-/m0/s1	C33H45NO7	567.713	8	3	130	5	11	1	-0.772299999999994	3.90786000000001	4.21	2.65	150.8655	154.7663	4.425	571.614794056896
Cond-002052	NPD2155	NPD2155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3519608556	Oc1c(C2[NH2+]CCc3c2[nH]c2c3cccc2)c(=O)n(CCc2ccccc2)c([S-])n1	InChI=1S/C23H22N4O2S/c28-21-18(20-19-16(10-12-24-20)15-8-4-5-9-17(15)25-19)22(29)27(23(30)26-21)13-11-14-6-2-1-3-7-14/h1-9,20,24-25,28H,10-13H2,(H,26,30)	C23H22N4O2S	418.511	6	4	85.3	5	4	0	-1.2968	1.72586	3.22	4.591	48.0842	122.3332	3.0564	365.593742875124
Cond-002053	NPD2156	NPD2156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.4785864732	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C34H37N3O4/c1-22(2)41-28-17-16-24(19-29(28)40-4)26-20-37-30(38)21-36(18-10-13-23-11-6-5-7-12-23)33(39)34(37,3)32-31(26)25-14-8-9-15-27(25)35-32/h5-9,11-12,14-17,19,22,26,35H,10,13,18,20-21H2,1-4H3/t26?,34-/m0/s1	C34H37N3O4	551.675	7	1	74.87	6	8	1	-2.1276	5.48209000000001	4.43	7.393	75.685	162.585	4.2658	515.394866792614
Cond-002054	NPD2157	NPD2157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9138185758	COc1c(OC)cc2c(CCn3c(=O)nc(Oc4ccc(Br)cc4)cc23)c1	InChI=1S/C20H17BrN2O4/c1-25-17-9-12-7-8-23-16(15(12)10-18(17)26-2)11-19(22-20(23)24)27-14-5-3-13(21)4-6-14/h3-6,9-11H,7-8H2,1-2H3	C20H17BrN2O4	429.264	6	0	60.36	4	4	0	0.271199999999999	4.09016	2.89	3.987	56.7573	110.202	2.7146	335.960234303879
Cond-002055	NPD2158	NPD2158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.179300645	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCC(CC)CCCC)c(=O)cc12)NC(=O)C	InChI=1S/C29H40N2O5/c1-7-9-10-19(8-2)17-30-24-14-12-21-22(16-25(24)33)23(31-18(3)32)13-11-20-15-26(34-4)28(35-5)29(36-6)27(20)21/h12,14-16,19,23H,7-11,13,17H2,1-6H3,(H,30,33)(H,31,32)/t19?,23-/m0/s1	C29H40N2O5	496.638	7	2	85.89	3	12	1	-2.0821	4.64926000000001	3.88	4.797	114.9014	144.1234	4.018	507.023621061275
Cond-002056	NPD2159	NPD2159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.514615068	C[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O	InChI=1S/C23H23NO6/c1-13-17-9-10-19(29-12-20(25)24-15(3)22(26)27)14(2)21(17)30-23(28)18(13)11-16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3,(H,24,25)(H,26,27)/t15-/m0/s1	C23H23NO6	409.432	7	2	101.93	3	8	0	0.3894	3.72539	3.22	4.857	59.8387	115.7615	3.0455	384.868262396869
Cond-002057	NPD216	NPD216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0818121631	Brc1ccc(cc1)C1Nc2c(NC3=C1C(=O)NC3)cccc2	InChI=1S/C17H14BrN3O/c18-11-7-5-10(6-8-11)16-15-14(9-19-17(15)22)20-12-3-1-2-4-13(12)21-16/h1-8,16,20-21H,9H2,(H,19,22)	C17H14BrN3O	356.217	4	3	53.16	4	1	0	-0.8002	3.83077	2.78	3.562	39.1769	93.0441	2.2586	271.334819233562
Cond-002058	NPD2160	NPD2160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.2988012864	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(CCOC)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H33N3O5/c1-5-13-36-22-11-10-18(15-23(22)35-4)20-16-31-24(32)17-30(12-14-34-3)27(33)28(31,2)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,15,20,29H,5,12-14,16-17H2,1-4H3/t20?,28-/m0/s1	C28H33N3O5	491.579	8	1	84.1	5	8	0	-2.2195	3.49729000000001	3.66	2.844	78.2632	139.72	3.7167	451.575020541175
Cond-002059	NPD2161	NPD2161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4864676963	COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C)C3C(O)C[C@@]4(C)C(CC[C@]4(O)C(=O)CO)C3CCC2=C1	InChI=1S/C33H44N2O8/c1-31-13-11-22(35-43-19-28(39)34-25(30(40)42-3)15-20-7-5-4-6-8-20)16-21(31)9-10-23-24-12-14-33(41,27(38)18-36)32(24,2)17-26(37)29(23)31/h4-8,16,23-26,29,36-37,41H,9-15,17-19H2,1-3H3,(H,34,39)/b35-22-/t23?,24?,25?,26?,29?,31-,32-,33-/m0/s1	C33H44N2O8	596.711	10	4	154.75	5	11	1	-2.0376	2.79537000000001	3.99	4.057	131.423	162.7461	4.5405	577.865322264824
Cond-002060	NPD2162	NPD2162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3031852535	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1ccc(Br)cc1	InChI=1S/C26H17BrO5/c1-15-22(30-14-16-6-8-18(27)9-7-16)11-10-19-20(13-24(28)32-25(15)19)21-12-17-4-2-3-5-23(17)31-26(21)29/h2-13H,14H2,1H3	C26H17BrO5	489.314	5	0	61.83	5	4	1	1.6438	5.94638	3.66	7.039	51.1378	126.973	3.1385	392.730554839307
Cond-002061	NPD2165	NPD2165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.3818290526	CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(F)cc1	InChI=1S/C23H33FN4O3/c1-15(2)20(22(30)26-14-16-5-7-18(24)8-6-16)27-21(29)17-9-12-28(13-10-17)23(31)19-4-3-11-25-19/h5-8,15,17,19-20,25H,3-4,9-14H2,1-2H3,(H,26,30)(H,27,29)/t19-,20-/m0/s1	C23H33FN4O3	432.532	7	3	90.54	3	10	0	-2.8367	1.46769	3.11	2.04	81.5272	117.8311	3.3585	419.001256573192
Cond-002062	NPD2166	NPD2166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.2345731297	COc1cc(C2C3CCCCC3(O)CCN2C(=O)/C=C/c2ccc(cc2)C(C)C)c(OC)cc1	InChI=1S/C29H37NO4/c1-20(2)22-11-8-21(9-12-22)10-15-27(31)30-18-17-29(32)16-6-5-7-25(29)28(30)24-19-23(33-3)13-14-26(24)34-4/h8-15,19-20,25,28,32H,5-7,16-18H2,1-4H3/b15-10+	C29H37NO4	463.608	5	1	59	4	7	1	-1.2473	6.00088000000001	4.1	7.795	80.0033	138.8198	3.7509	463.980175451747
Cond-002063	NPD2167	NPD2167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	50.8942156594	COc1cccc(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2ccc(Br)cc2)c1	InChI=1S/C29H26BrN3O3/c1-29-27-26(22-8-3-4-9-24(22)31-27)23(19-10-12-20(30)13-11-19)16-33(29)25(34)17-32(28(29)35)15-18-6-5-7-21(14-18)36-2/h3-14,23,31H,15-17H2,1-2H3/t23?,29-/m0/s1	C29H26BrN3O3	544.439	6	1	65.64	6	4	1	-0.9113	4.68529000000001	3.88	5.406	59.6927	144.281	3.6776	439.408335940286
Cond-002064	NPD2168	NPD2168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9098394401	C[C@]12N(CCc3c1[nH]c1ccccc31)C(=O)N(C2=O)c1ccc(F)cc1N(=O)=O	InChI=1S/C20H15FN4O4/c1-20-17-13(12-4-2-3-5-14(12)22-17)8-9-23(20)19(27)24(18(20)26)15-7-6-11(21)10-16(15)25(28)29/h2-7,10,22H,8-9H2,1H3/t20-/m0/s1	C20H15FN4O4	394.356	8	1	99.55	5	2	0	0.389999999999999	3.02157	2.67	3.508	40.1461	107.844	2.6053	318.844777191352
Cond-002065	NPD2169	NPD2169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	44.2540046337	CCOC(=O)N(C)CCc1cc2c(OCO2)c(OC)c1/C=C/C(=O)c1ccccc1	InChI=1S/C23H25NO6/c1-4-28-23(26)24(2)13-12-17-14-20-22(30-15-29-20)21(27-3)18(17)10-11-19(25)16-8-6-5-7-9-16/h5-11,14H,4,12-13,15H2,1-3H3/b11-10+	C23H25NO6	411.448	7	0	74.3	3	10	0	0.380999999999999	3.86687	3.22	4.524	64.0214	116.1325	3.0885	387.504721097669
Cond-002066	NPD217	NPD217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3301741676	CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C26H38O5/c1-23(2,3)22(29)31-15-21(28)26(30)13-10-20-18-7-6-16-14-17(27)8-11-24(16,4)19(18)9-12-25(20,26)5/h14,18-20,30H,6-13,15H2,1-5H3/t18?,19?,20?,24-,25-,26-/m0/s1	C26H38O5	430.577	5	1	80.67	4	5	0	1.57009999999999	4.56788000000001	3.77	3.485	117.7099	120.0538	3.4591	442.231522869742
Cond-002067	NPD2170	NPD2170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4548845772	COc1cc(ccc1)C(=O)C1C(C(=O)c2cc3c(OCO3)cc2)C2(C3C=C(C)c4c(cccc4)N13)C(=O)Nc1c2cccc1	InChI=1S/C36H28N2O6/c1-20-16-30-36(25-11-4-5-12-26(25)37-35(36)41)31(33(39)22-14-15-28-29(18-22)44-19-43-28)32(38(30)27-13-6-3-10-24(20)27)34(40)21-8-7-9-23(17-21)42-2/h3-18,30-32H,19H2,1-2H3,(H,37,41)	C36H28N2O6	584.617	8	1	94.17	8	5	1	-1.3115	6.82216000000001	4.54	6.052	63.3828	169.0927	4.17600000000001	521.311777032502
Cond-002068	NPD2171	NPD2171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9771952051	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(C3CCN(Cc4ccccc4)CC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C37H42N4O4/c1-4-20-45-31-15-14-26(21-32(31)44-3)29-23-41-33(42)24-40(27-16-18-39(19-17-27)22-25-10-6-5-7-11-25)36(43)37(41,2)35-34(29)28-12-8-9-13-30(28)38-35/h5-15,21,27,29,38H,4,16-20,22-24H2,1-3H3/t29?,37-/m0/s1	C37H42N4O4	606.754	8	1	78.11	7	8	1	-2.7693	5.17599000000001	4.65	6.338	87.7787	176.961999999999	4.6797	565.923122177579
Cond-002069	NPD2172	NPD2172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.5270441477	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(CCc1cccc(F)c1)C2=O	InChI=1S/C29H25ClFN3O2/c1-29-27-26(22-7-2-3-8-24(22)32-27)23(19-9-11-20(30)12-10-19)16-34(29)25(35)17-33(28(29)36)14-13-18-5-4-6-21(31)15-18/h2-12,15,23,32H,13-14,16-17H2,1H3/t23?,29-/m0/s1	C29H25ClFN3O2	501.979	5	1	56.41	6	4	1	-0.2687	5.08869000000001	3.88	6.04	54.7177	140.62	3.584	432.613116882898
Cond-002070	NPD2173	NPD2173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3661187372	CC1CC2(CC(C)(OC2=O)c2cs/c(=N\c3c(Cl)cccc3)/[nH]2)C(=O)O1	InChI=1S/C18H17ClN2O4S/c1-10-7-18(14(22)24-10)9-17(2,25-15(18)23)13-8-26-16(21-13)20-12-6-4-3-5-11(12)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)	C18H17ClN2O4S	392.857	6	1	102.29	4	2	0	0.863799999999997	3.59047	2.56	4.151	73.1528	102.8627	2.6297	331.977655304213
Cond-002071	NPD2174	NPD2174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.8943169507	CCCCOc1ccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC	InChI=1S/C26H32N2O3/c1-6-7-14-31-22-11-9-19(16-23(22)30-5)12-13-26-25(3,4)20-15-18(2)8-10-21(20)28(26)17-24(29)27-26/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,27,29)/b13-12+	C26H32N2O3	420.544	5	1	50.8	4	7	1	0.5016	5.11749000000001	3.77	5.85	72.0165	126.3637	3.3693	414.298755081753
Cond-002072	NPD2175	NPD2175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7627965649	CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C20H30N2O5S/c1-13(2)18(22-28(26,27)17-10-4-14(3)5-11-17)19(23)21-12-15-6-8-16(9-7-15)20(24)25/h4-5,10-11,13,15-16,18,22H,6-9,12H2,1-3H3,(H,21,23)(H,24,25)/t15-,16-,18-/m0/s1	C20H30N2O5S	410.528	7	3	120.95	2	9	0	-0.1701	2.7725	2.78	3.021	77.8389	104.0622	3.151	390.134618289274
Cond-002073	NPD2176	NPD2176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5748422339	Clc1ccc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)c(Cl)c1	InChI=1S/C25H14Cl2O5/c26-16-6-5-15(21(27)10-16)13-30-17-7-8-18-19(12-24(28)31-23(18)11-17)20-9-14-3-1-2-4-22(14)32-25(20)29/h1-12H,13H2	C25H14Cl2O5	465.282	5	0	61.83	5	4	1	1.6016	5.90716	3.44	6.685	48.2678	123.326	3.0674	386.57308677674
Cond-002074	NPD2177	NPD2177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9981987683	CCCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C25H27NO6/c1-5-9-20(26-25(29)30-14-18-10-7-6-8-11-18)24(28)31-21-13-12-19-15(2)16(3)23(27)32-22(19)17(21)4/h6-8,10-13,20H,5,9,14H2,1-4H3,(H,26,29)	C25H27NO6	437.485	7	1	90.93	3	10	1	1.0662	4.24151000000001	3.44	6.331	65.5178	122.5037	3.3273	419.460231648602
Cond-002075	NPD2178	NPD2178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.3935690383	COc1ccc(cc1)c1coc2c(C[NH+]3CCCCC3)c([O-])ccc2c1=O	InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)19-14-27-22-17(21(19)25)9-10-20(24)18(22)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3	C22H23NO4	365.422	5	1	63.03	4	4	0	-3.7857	1.95548	3.33	3.241	45.4925	103.5997	2.7646	342.90828307068
Cond-002076	NPD2179	NPD2179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4238240112	Cc1cc(OCC(=O)NCCc2c[nH]c3ccccc23)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C25H24N2O4/c1-15-11-21(24-18-6-4-7-19(18)25(29)31-22(24)12-15)30-14-23(28)26-10-9-16-13-27-20-8-3-2-5-17(16)20/h2-3,5,8,11-13,27H,4,6-7,9-10,14H2,1H3,(H,26,28)	C25H24N2O4	416.469	6	2	80.42	5	7	0	-0.6796	4.26538000000001	3.55	4.095	58.4012	122.7107	3.0925	377.263621054047
Cond-002077	NPD218	NPD218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3193167533	COc1ccc(cc1)C1=CC(C2CCCCC32Oc2c(cccc2)N13)c1ccccc1	InChI=1S/C28H27NO2/c1-30-22-16-14-21(15-17-22)26-19-23(20-9-3-2-4-10-20)24-11-7-8-18-28(24)29(26)25-12-5-6-13-27(25)31-28/h2-6,9-10,12-17,19,23-24H,7-8,11,18H2,1H3	C28H27NO2	409.519	3	0	21.7	6	3	1	-1.1971	7.43787000000001	4.21	9.998	43.5489	127.452	3.1894	388.217902621558
Cond-002078	NPD2180	NPD2180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8013225783	CCCCN(C)CCNC(=O)c1c(O)c2c([nH]c1=O)cc(OC)c(OC)c2	InChI=1S/C19H27N3O5/c1-5-6-8-22(2)9-7-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)	C19H27N3O5	377.435	8	3	100.13	2	10	0	-2.0385	2.42437	2.67	2.904	74.6718	105.5632	2.9034	362.689911113174
Cond-002079	NPD2181	NPD2181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.4388637299	C(Cc1ccccc1)(NC(=O)[C@@H]1CCC(=O)N1C1OC(=O)c2c1ccc(OC)c2OC)C(=O)O	InChI=1S/C24H24N2O8/c1-32-17-10-8-14-19(20(17)33-2)24(31)34-22(14)26-16(9-11-18(26)27)21(28)25-15(23(29)30)12-13-6-4-3-5-7-13/h3-8,10,15-16,22H,9,11-12H2,1-2H3,(H,25,28)(H,29,30)/t15?,16-,22?/m0/s1	C24H24N2O8	468.456	10	2	131.47	4	9	0	-2.0769	1.3579	3	3.741	65.1749	119.7925	3.295	418.385001931224
Cond-002080	NPD2182	NPD2182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9309690139	CCCCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1	InChI=1S/C31H31NO7/c1-4-5-11-26(32-31(35)37-19-21-9-7-6-8-10-21)30(34)38-27-17-16-24-25(18-28(33)39-29(24)20(27)2)22-12-14-23(36-3)15-13-22/h6-10,12-18,26H,4-5,11,19H2,1-3H3,(H,32,35)	C31H31NO7	529.58	8	1	100.16	4	13	2	-0.468700000000001	6.23249000000001	3.99	8.388	65.886	150.3137	3.9938	500.860531301164
Cond-002081	NPD2183	NPD2183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1621674301	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1Cl)C2=O	InChI=1S/C28H23Cl2N3O2/c1-28-26-25(20-7-3-5-9-23(20)31-26)21(17-10-12-19(29)13-11-17)15-33(28)24(34)16-32(27(28)35)14-18-6-2-4-8-22(18)30/h2-13,21,31H,14-16H2,1H3/t21?,28-/m0/s1	C28H23Cl2N3O2	504.407	5	1	56.41	6	3	1	-0.2597	5.22099000000001	3.77	5.819	55.009	140.049	3.5478	424.460641177158
Cond-002082	NPD2184	NPD2184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5557529879	[C@H]1(Cc2c(CN1C(=O)COc1c(Cl)cc3c(oc(=O)c(C)c3C)c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C26H23ClN2O6/c1-13-14(2)25(31)35-22-10-23(18(27)8-16(13)22)34-12-24(30)29-11-20-17(9-21(29)26(32)33-3)15-6-4-5-7-19(15)28-20/h4-8,10,21,28H,9,11-12H2,1-3H3/t21-/m0/s1	C26H23ClN2O6	494.924	8	1	97.93	5	6	0	0.530800000000002	4.17476000000001	3.33	3.661	72.6013	134.166	3.4302	424.714668150669
Cond-002083	NPD2185	NPD2185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.6942625734	CN(C)c1ccc(cc1)/C=C/C12NC(=O)CN1c1ccc(C)cc1C2(C)C	InChI=1S/C23H27N3O/c1-16-6-11-20-19(14-16)22(2,3)23(24-21(27)15-26(20)23)13-12-17-7-9-18(10-8-17)25(4)5/h6-14H,15H2,1-5H3,(H,24,27)/b13-12+	C23H27N3O	361.48	4	1	35.58	4	3	1	1.4384	3.99599000000001	3.55	5.198	60.9389	113.7357	2.929	355.827108011197
Cond-002084	NPD2186	NPD2186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.8998530181	N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C24H29N3O4/c25-20(15-17-7-3-1-4-8-17)23(29)27-13-11-19(12-14-27)22(28)26-21(24(30)31)16-18-9-5-2-6-10-18/h1-10,19-21H,11-16,25H2,(H,26,28)(H,30,31)/t20-,21-/m0/s1	C24H29N3O4	423.505	7	4	112.73	3	10	0	-3.1462	1.84099	3.33	3.252	61.57	120.3809	3.3116	409.213772738747
Cond-002085	NPD2187	NPD2187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1143296082	C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(OCc3c(Cl)cccc3F)c2C(=O)O1	InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m1/s1	C32H30Cl2F2O5	603.48	5	0	61.83	4	6	1	1.738	8.01808000000001	3.99	8.885	79.1767	154.994	4.2407	534.773014260021
Cond-002086	NPD2188	NPD2188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6791882449	CC(C)[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-9(2)18(21(25)26)23-17(24)8-16-11(4)15-7-14-10(3)13(6)28-19(14)12(5)20(15)29-22(16)27/h7,9,18H,8H2,1-6H3,(H,23,24)(H,25,26)/t18-/m0/s1	C22H25NO6	399.437	7	2	105.84	3	6	0	1.7729	3.35763	3.11	2.652	74.8286	111.0555	2.9906	372.845195172602
Cond-002087	NPD2189	NPD2189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.8357348703	COc1c(OC)cc(CCNC(=O)c2cc3c([nH]c4ccccc34)c(C)n2)cc1	InChI=1S/C23H23N3O3/c1-14-22-17(16-6-4-5-7-18(16)26-22)13-19(25-14)23(27)24-11-10-15-8-9-20(28-2)21(12-15)29-3/h4-9,12-13,26H,10-11H2,1-3H3,(H,24,27)	C23H23N3O3	389.447	6	2	76.24	4	7	0	-0.452100000000001	4.0854	3.33	4.128	40.2696	118.6247	2.9604	346.334644010719
Cond-002088	NPD219	NPD219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0076483255	Cc1c2oc(=O)c3c(CCC3)c2ccc1OCC(=O)c1cc2c(OCO2)cc1	InChI=1S/C22H18O6/c1-12-18(8-6-15-14-3-2-4-16(14)22(24)28-21(12)15)25-10-17(23)13-5-7-19-20(9-13)27-11-26-19/h5-9H,2-4,10-11H2,1H3	C22H18O6	378.375	6	0	71.06	5	4	0	-0.4581	5.16978	3.22	3.224	51.3138	107.5085	2.6306	334.499058862035
Cond-002089	NPD2190	NPD2190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.8306718816	C[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(C)cc1	InChI=1S/C26H34N4O3/c1-18-8-10-21(11-9-18)17-28-24(31)19(2)29-25(32)22-12-14-30(15-13-22)26(33)23(27)16-20-6-4-3-5-7-20/h3-11,19,22-23H,12-17,27H2,1-2H3,(H,28,31)(H,29,32)/t19-,23-/m0/s1	C26H34N4O3	450.573	7	4	104.53	3	11	2	-2.8987	1.53851	3.55	5.174	73.0398	129.4458	3.6345	446.012275498086
Cond-002090	NPD2191	NPD2191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.329638026	Cc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccc(O)cc1)C(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C	InChI=1S/C29H35N3O6S/c1-18-9-13-21(14-10-18)31(28(36)26-29(2,3)39(37,38)24-17-23(34)32(24)26)25(19-11-15-22(33)16-12-19)27(35)30-20-7-5-4-6-8-20/h9-16,20,24-26,33H,4-8,17H2,1-3H3,(H,30,35)	C29H35N3O6S	553.67	9	2	132.47	5	8	0	-3.1914	4.57810000000001	3.55	4.081	85.129	148.4025	4.0798	507.070255925203
Cond-002091	NPD2192	NPD2192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6983988567	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N5CCC(CC5)(N5CCCCC5)C(=O)N)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C48H64N4O13/c1-24-14-13-15-25(2)45(60)50-35-36(51-21-17-48(18-22-51,46(49)61)52-19-11-10-12-20-52)41(58)32-33(40(35)57)39(56)29(6)43-34(32)44(59)47(8,65-43)63-23-16-31(62-9)26(3)42(64-30(7)53)28(5)38(55)27(4)37(24)54/h13-16,23-24,26-28,31,37-38,42,54-56H,10-12,17-22H2,1-9H3,(H2,49,61)(H,50,60)/b14-13-,23-16-,25-15-/t24-,26+,27+,28-,31-,37-,38-,42+,47-/m0/s1	C48H64N4O13	905.041	17	6	244.56	5	6	1	-3.58690000000001	3.97757000000001	4.87	2.269	207.2784	239.728999999999	6.82350000000002	877.710993367159
Cond-002092	NPD2193	NPD2193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.0288233975	Clc1cccc2c1NC(=O)C12C2C(C3CCCN13)C(=O)N(C2=O)c1cc2c(OCO2)cc1	InChI=1S/C23H18ClN3O5/c24-13-4-1-3-12-19(13)25-22(30)23(12)18-17(14-5-2-8-26(14)23)20(28)27(21(18)29)11-6-7-15-16(9-11)32-10-31-15/h1,3-4,6-7,9,14,17-18H,2,5,8,10H2,(H,25,30)	C23H18ClN3O5	451.859	8	1	88.18	7	1	0	-2.1274	4.07537	3	1.338	59.2897	118.9847	2.9174	366.493247780674
Cond-002093	NPD2194	NPD2194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.0729230845	CC1(C)CC2(CC(C)(OC2=O)c2cs/c(=N\c3c(Cl)cccc3)/[nH]2)C(=O)O1	InChI=1S/C19H19ClN2O4S/c1-17(2)9-19(14(23)25-17)10-18(3,26-15(19)24)13-8-27-16(22-13)21-12-7-5-4-6-11(12)20/h4-8H,9-10H2,1-3H3,(H,21,22)	C19H19ClN2O4S	406.883	6	1	102.29	4	2	0	1.7158	3.98057	2.67	4.568	77.5134	107.4797	2.7706	349.27363993008
Cond-002094	NPD2195	NPD2195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.9884656586	CC(=O)Oc1ccc(cc1)N1C(=O)C2C(Cc3ccc(O)cc3)NC3(C2C1=O)C(=O)Nc1ccccc31	InChI=1S/C28H23N3O6/c1-15(32)37-19-12-8-17(9-13-19)31-25(34)23-22(14-16-6-10-18(33)11-7-16)30-28(24(23)26(31)35)20-4-2-3-5-21(20)29-27(28)36/h2-13,22-24,30,33H,14H2,1H3,(H,29,36)	C28H23N3O6	497.499	9	3	125.04	6	5	0	-2.9173	3.53358	3.55	3.545	55.2147	137.7432	3.49480000000001	437.462953737736
Cond-002095	NPD2196	NPD2196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.042783354	CCC(C)N1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OC)c(OC(C)C)cc1	InChI=1S/C29H35N3O4/c1-7-18(4)31-16-25(33)32-15-21(19-12-13-23(36-17(2)3)24(14-19)35-6)26-20-10-8-9-11-22(20)30-27(26)29(32,5)28(31)34/h8-14,17-18,21,30H,7,15-16H2,1-6H3/t18?,21?,29-/m0/s1	C29H35N3O4	489.606	7	1	74.87	5	6	0	-2.1494	4.64779000000001	3.88	4.377	81.3027	142.708	3.7989	460.080778466481
Cond-002096	NPD2197	NPD2197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.8890709104	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3ccc(OC)c(OC)c3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H33N3O4/c1-5-20-10-13-22(14-11-20)24-18-35-28(36)19-34(17-21-12-15-26(38-3)27(16-21)39-4)31(37)32(35,2)30-29(24)23-8-6-7-9-25(23)33-30/h6-16,24,33H,5,17-19H2,1-4H3/t24?,32-/m0/s1	C32H33N3O4	523.622	7	1	74.87	6	6	1	-1.545	4.49379000000001	4.21	6.475	68.7599	152.511	3.984	480.802897540881
Cond-002097	NPD2198	NPD2198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.725092653	COc1ccc(cc1OC)c1coc2c(C[NH+]3CCCC3)c([O-])ccc2c1=O	InChI=1S/C22H23NO5/c1-26-19-8-5-14(11-20(19)27-2)17-13-28-22-15(21(17)25)6-7-18(24)16(22)12-23-9-3-4-10-23/h5-8,11,13,24H,3-4,9-10,12H2,1-2H3	C22H23NO5	381.422	6	1	72.26	4	5	0	-3.5495	1.57398	3.22	2.439	49.8967	105.5347	2.8233	351.698509771241
Cond-002098	NPD2199	NPD2199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0761134392	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1cccc(OC)c1	InChI=1S/C29H27N3O3/c1-4-18-12-14-19(15-13-18)23-17-31-28(34)32(20-8-7-9-21(16-20)35-3)27(33)29(31,2)26-25(23)22-10-5-6-11-24(22)30-26/h5-16,23,30H,4,17H2,1-3H3/t23?,29-/m0/s1	C29H27N3O3	465.543	6	1	65.64	6	4	1	-0.784599999999999	5.31368000000001	3.99	7.314	52.171	139.208	3.5026	420.124716962719
Cond-002099	NPD22	NPD22	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	81.3816145502	CCOC(=O)C(C)Oc1ccc(Oc2coc3c(ccc(O)c3)c2=O)cc1	InChI=1S/C20H18O7/c1-3-24-20(23)12(2)26-14-5-7-15(8-6-14)27-18-11-25-17-10-13(21)4-9-16(17)19(18)22/h4-12,21H,3H2,1-2H3	C20H18O7	370.353	7	1	91.29	3	7	0	-1.5306	4.37976	2.89	3.924	47.1596	102.0363	2.6247	333.410233712463
Cond-002100	NPD220	NPD220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9519221597	[C@@H]12CCC3C(CN4CC(C)CC[C@H]4[C@@]3(C)O)[C@@H]1C[C@H]1C2CC(=O)[C@H]2CC(CC[C@]12C)OC(=O)c1ccco1	InChI=1S/C32H45NO5/c1-18-6-9-29-32(3,36)24-8-7-20-21(23(24)17-33(29)16-18)14-25-22(20)15-27(34)26-13-19(10-11-31(25,26)2)38-30(35)28-5-4-12-37-28/h4-5,12,18-26,29,36H,6-11,13-17H2,1-3H3/t18?,19?,20-,21-,22?,23?,24?,25+,26-,29+,31-,32+/m1/s1	C32H45NO5	523.703	6	1	79.98	7	3	1	-1.577	5.31239000000001	4.32	5.474	118.7519	145.1788	4.0785	509.034814730708
Cond-002101	NPD2200	NPD2200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5440980549	CCN(CC)Cc1c2c(oc(C)c2C(=O)c2cc(OC)ccc2OC)ccc1O	InChI=1S/C23H27NO5/c1-6-24(7-2)13-17-18(25)9-11-20-22(17)21(14(3)29-20)23(26)16-12-15(27-4)8-10-19(16)28-5/h8-12,25H,6-7,13H2,1-5H3	C23H27NO5	397.464	6	1	72.14	3	8	0	0.187899999999998	4.23670000000001	3.33	3.084	57.485	118.236	3.0728	370.450953097908
Cond-002102	NPD2201	NPD2201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.3770184882	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1c(Cl)cccc1)C(=O)CN(Cc1cc(Cl)ccc1)C2=O	InChI=1S/C28H23Cl2N3O2/c1-28-26-25(20-10-3-5-12-23(20)31-26)21(19-9-2-4-11-22(19)30)15-33(28)24(34)16-32(27(28)35)14-17-7-6-8-18(29)13-17/h2-13,21,31H,14-16H2,1H3/t21?,28-/m0/s1	C28H23Cl2N3O2	504.407	5	1	56.41	6	3	1	-0.2597	5.22099000000001	3.77	5.819	55.009	140.049	3.5478	424.460641177158
Cond-002103	NPD2202	NPD2202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.4138901014	CCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)cc(OC)c(OC)c2	InChI=1S/C18H25N3O5/c1-5-21(6-2)8-7-19-17(23)15-16(22)11-9-13(25-3)14(26-4)10-12(11)20-18(15)24/h9-10H,5-8H2,1-4H3,(H,19,23)(H2,20,22,24)	C18H25N3O5	363.408	8	3	100.13	2	9	0	-0.922299999999998	2.03427	2.56	2.4	72.522	100.9462	2.7625	345.393926487308
Cond-002104	NPD2203	NPD2203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.873198847	CSCC[C@H](NC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O	InChI=1S/C20H25NO6S/c1-10-11(2)20(25)27-17-12(3)16(7-6-14(10)17)26-13(4)18(22)21-15(19(23)24)8-9-28-5/h6-7,13,15H,8-9H2,1-5H3,(H,21,22)(H,23,24)/t13?,15-/m0/s1	C20H25NO6S	407.481	7	2	127.23	2	9	0	1.0364	3.62429	2.78	2.983	80.6146	113.2095	3.0239	382.655167380069
Cond-002105	NPD2204	NPD2204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.3301770276	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1c(Cl)cc(Cl)cc1)C2=O)c1cc(Br)ccc1	InChI=1S/C27H20BrCl2N3O2/c28-17-5-3-4-15(10-17)26-25-20(19-6-1-2-7-22(19)31-25)12-23-27(35)32(14-24(34)33(23)26)13-16-8-9-18(29)11-21(16)30/h1-11,23,26,31H,12-14H2/t23-,26?/m0/s1	C27H20BrCl2N3O2	569.277	5	1	56.41	6	3	1	0.3521	5.58218	3.55	6.095	58.8736	142.756	3.5819	426.448275528858
Cond-002106	NPD2205	NPD2205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.519832375	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(C3CC(C)(C)NC(C)(C)C3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C34H44N4O4/c1-8-15-42-26-14-13-21(16-27(26)41-7)24-19-38-28(39)20-37(22-17-32(2,3)36-33(4,5)18-22)31(40)34(38,6)30-29(24)23-11-9-10-12-25(23)35-30/h9-14,16,22,24,35-36H,8,15,17-20H2,1-7H3/t24?,34-/m0/s1	C34H44N4O4	572.738	8	2	86.9	6	6	0	-0.962300000000001	5.16009000000001	4.32	4.945	104.6605	167.2927	4.4946	545.20100310318
Cond-002107	NPD2206	NPD2206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.7734049729	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(C(O)c1cc(ccc1)N(=O)=O)C(=O)O	InChI=1S/C34H42N2O11/c1-32-13-10-22(37)17-20(32)6-7-23-24(32)11-14-33(2)25(23)12-15-34(33,44)26(38)18-47-28(40)9-8-27(39)35-29(31(42)43)30(41)19-4-3-5-21(16-19)36(45)46/h3-5,16-17,23-25,29-30,41,44H,6-15,18H2,1-2H3,(H,35,39)(H,42,43)/t23?,24?,25?,29?,30?,32-,33-,34-/m0/s1	C34H42N2O11	654.704	13	4	210.44	5	13	1	-0.798800000000002	3.03108000000001	3.77	2.873	135.5176	168.5511	4.7715	616.259069590773
Cond-002108	NPD2207	NPD2207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.9470811812	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1cccc(F)c1	InChI=1S/C28H24FN3O2/c1-3-17-11-13-18(14-12-17)22-16-31-27(34)32(20-8-6-7-19(29)15-20)26(33)28(31,2)25-24(22)21-9-4-5-10-23(21)30-25/h4-15,22,30H,3,16H2,1-2H3/t22?,28-/m0/s1	C28H24FN3O2	453.507	5	1	56.41	6	3	1	-0.2531	5.44418000000001	3.88	7.717	45.7277	132.614	3.3207	400.106064486598
Cond-002109	NPD2208	NPD2208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3523048436	CCCOc1ccc(cc1OCC)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(F)cc1	InChI=1S/C31H30FN3O4/c1-4-16-39-25-15-10-19(17-26(25)38-5-2)23-18-34-30(37)35(21-13-11-20(32)12-14-21)29(36)31(34,3)28-27(23)22-8-6-7-9-24(22)33-28/h6-15,17,23,33H,4-5,16,18H2,1-3H3/t23?,31-/m0/s1	C31H30FN3O4	527.586	7	1	74.87	6	7	1	-0.740599999999998	6.06928000000001	3.99	6.086	62.1284	150.191	3.8608	469.57447176532
Cond-002110	NPD2209	NPD2209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0568304935	Cc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)ccc12	InChI=1S/C20H23NO6/c1-12-8-19(23)27-17-9-15(6-7-16(12)17)26-11-18(22)21-10-13-2-4-14(5-3-13)20(24)25/h6-9,13-14H,2-5,10-11H2,1H3,(H,21,22)(H,24,25)/t13-,14-	C20H23NO6	373.4	7	2	101.93	3	7	0	0.0691000000000016	2.94687	2.89	2.149	70.6029	101.5585	2.7518	351.789684621669
Cond-002111	NPD221	NPD221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8493150685	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)C1CCCCC1	InChI=1S/C34H56OS/c1-4-5-6-7-8-12-15-26-17-19-30-29-18-16-27-24-28(36-32(35)25-13-10-9-11-14-25)20-22-34(27,3)31(29)21-23-33(26,30)2/h16,25-26,28-31H,4-15,17-24H2,1-3H3/t26?,28-,29?,30?,31?,33+,34-/m0/s1	C34H56OS	512.873	1	0	42.37	5	10	1	-0.637700000000001	10.68478	4.98	13.525	139.0367	159.12	4.4924	556.86397583283
Cond-002112	NPD2210	NPD2210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.614793657	CCC(NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)O	InChI=1S/C18H21NO7/c1-5-12(17(21)22)19-14(20)8-11-9(2)10-6-7-13(24-3)16(25-4)15(10)26-18(11)23/h6-7,12H,5,8H2,1-4H3,(H,19,20)(H,21,22)	C18H21NO7	363.362	8	2	111.16	2	8	0	-0.7097	2.31777	2.56	1.107	65.6469	96.4915000000001	2.6373	338.344400771296
Cond-002113	NPD2211	NPD2211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.9361998954	CCOC(=O)c1ccc(cc1)N1C(=O)C2C3CCCN3C3(C2C1=O)C(=O)Nc1c3cc(Cl)cc1C	InChI=1S/C26H24ClN3O5/c1-3-35-24(33)14-6-8-16(9-7-14)30-22(31)19-18-5-4-10-29(18)26(20(19)23(30)32)17-12-15(27)11-13(2)21(17)28-25(26)34/h6-9,11-12,18-20H,3-5,10H2,1-2H3,(H,28,34)	C26H24ClN3O5	493.939	8	1	96.02	6	4	0	-0.921099999999999	3.25801	3.33	2.392	73.6019	129.7517	3.4057	428.101201658275
Cond-002114	NPD2212	NPD2212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.180976513	COc1ccccc1C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(F)cc1	InChI=1S/C27H22FN3O3/c1-27-24-23(19-8-3-5-9-21(19)29-24)20(18-7-4-6-10-22(18)34-2)15-30(27)26(33)31(25(27)32)17-13-11-16(28)12-14-17/h3-14,20,29H,15H2,1-2H3/t20?,27-/m0/s1	C27H22FN3O3	455.48	6	1	65.64	6	3	1	-0.6118	4.89038000000001	3.66	5.537	42.693	129.788	3.23850000000001	391.600306561292
Cond-002115	NPD2213	NPD2213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.3538483923	COc1ccc(cc1)c1c(C)oc2c(C[NH+]3CCCCC3)c([O-])ccc2c1=O	InChI=1S/C23H25NO4/c1-15-21(16-6-8-17(27-2)9-7-16)22(26)18-10-11-20(25)19(23(18)28-15)14-24-12-4-3-5-13-24/h6-11,25H,3-5,12-14H2,1-2H3	C23H25NO4	379.449	5	1	63.03	4	4	0	-3.272	3.11508	3.44	3.477	51.311	109.3987	2.9055	360.204267696547
Cond-002116	NPD2214	NPD2214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3943754088	COC(=O)C(Cc1cc(c(O)cc1)N(=O)=O)NC(=O)CO/N=C\1/CC[C@]2(C)C3C(O)C[C@@]4(C)C(CC[C@]4(O)C(=O)CO)C3CCC2=C1	InChI=1S/C33H43N3O11/c1-31-10-8-20(35-47-17-28(41)34-23(30(42)46-3)12-18-4-7-25(38)24(13-18)36(44)45)14-19(31)5-6-21-22-9-11-33(43,27(40)16-37)32(22,2)15-26(39)29(21)31/h4,7,13-14,21-23,26,29,37-39,43H,5-6,8-12,15-17H2,1-3H3,(H,34,41)/b35-20-/t21?,22?,23?,26?,29?,31-,32-,33-/m0/s1	C33H43N3O11	657.708	14	5	218.12	5	12	1	-1.8378	2.63876000000001	3.55	2.784	137.8776	175.3581	4.7734	612.596303873873
Cond-002117	NPD2215	NPD2215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.8947109954	CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)ccc12	InChI=1S/C23H29NO6/c1-2-3-4-17-11-22(26)30-20-12-18(9-10-19(17)20)29-14-21(25)24-13-15-5-7-16(8-6-15)23(27)28/h9-12,15-16H,2-8,13-14H2,1H3,(H,24,25)(H,27,28)/t15-,16-	C23H29NO6	415.479	7	2	101.93	3	10	0	-1.0352	4.11717000000001	3.22	3.751	81.6881	115.4095	3.1745	403.677638499269
Cond-002118	NPD2216	NPD2216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.3772579726	OC(=O)[C@H]1CCC(CNC(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1	InChI=1S/C19H21NO6/c21-14-5-6-15-13(8-18(23)26-16(15)9-14)7-17(22)20-10-11-1-3-12(4-2-11)19(24)25/h5-6,8-9,11-12,21H,1-4,7,10H2,(H,20,22)(H,24,25)/t11?,12-	C19H21NO6	359.373	7	3	112.93	3	6	0	-0.642500000000001	2.64387	2.78	1.238	66.0335	96.6713	2.6109	334.493699995802
Cond-002119	NPD2217	NPD2217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.85885038	[C@H](C)(NC(=O)[C@H](C)O[C@@H]1[C@@H](NC(=O)C)[C@@H](OCc2ccccc2)O[C@@H]([C@H]1OC(=O)C)C(=O)NCCCCCCCCCCCCCCCCCC)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N	InChI=1S/C53H81N5O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34-55-52(65)48-47(69-40(5)60)46(45(57-39(4)59)53(70-48)67-36-42-30-25-22-26-31-42)68-38(3)51(64)56-37(2)50(63)58-43(49(54)62)32-33-44(61)66-35-41-28-23-21-24-29-41/h21-26,28-31,37-38,43,45-48,53H,6-20,27,32-36H2,1-5H3,(H2,54,62)(H,55,65)(H,56,64)(H,57,59)(H,58,63)/t37-,38+,43-,45-,46-,47+,48+,53+/m1/s1	C53H81N5O12	980.237	17	6	239.78	3	41	3	-9.1186	6.06919	5.42	12.025	178.0385	265.874199999999	7.89490000000003	992.566826106497
Cond-002120	NPD2219	NPD2219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0730818477	CCC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C)C(=O)O	InChI=1S/C31H43NO9/c1-5-17(2)27(28(38)39)32-24(36)8-9-25(37)41-16-23(35)31(40)13-11-21-20-7-6-18-14-19(33)10-12-29(18,3)26(20)22(34)15-30(21,31)4/h10,12,14,17,20-22,26-27,34,40H,5-9,11,13,15-16H2,1-4H3,(H,32,36)(H,38,39)/t17?,20?,21?,22?,26?,27?,29-,30-,31-/m0/s1	C31H43NO9	573.674	10	4	167.3	4	12	1	-1.5539	2.59047000000001	3.77	1.624	145.3503	149.8801	4.3692	566.959736907085
Cond-002121	NPD222	NPD222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7056730165	CCOc1cc(c/c(=N\c2cc(OC)ccc2)/c2c(C)oc(C)c12)c1ccc(OC)cc1	InChI=1S/C27H27NO4/c1-6-31-25-15-20(19-10-12-22(29-4)13-11-19)14-24(26-17(2)32-18(3)27(25)26)28-21-8-7-9-23(16-21)30-5/h7-16H,6H2,1-5H3/b28-24+	C27H27NO4	429.508	5	0	53.19	4	6	1	0.900799999999999	5.51602000000001	3.88	6.361	64.5981	127.139	3.3401	410.578830097614
Cond-002122	NPD2220	NPD2220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3237501218	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(Cc3c(F)cccc3Cl)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H31ClFN3O4/c1-4-14-41-26-13-12-19(15-27(26)40-3)21-17-37-28(38)18-36(16-22-23(33)9-7-10-24(22)34)31(39)32(37,2)30-29(21)20-8-5-6-11-25(20)35-30/h5-13,15,21,35H,4,14,16-18H2,1-3H3/t21?,32-/m0/s1	C32H31ClFN3O4	576.058	7	1	74.87	6	7	1	-0.9553	5.50409000000001	3.99	5.364	72.7233	157.335	4.1241	502.08152416162
Cond-002123	NPD2224	NPD2224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.260793295	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(F)cc1F	InChI=1S/C28H23F2N3O2/c1-3-16-8-10-17(11-9-16)20-15-32-27(35)33(23-13-12-18(29)14-21(23)30)26(34)28(32,2)25-24(20)19-6-4-5-7-22(19)31-25/h4-14,20,31H,3,15H2,1-2H3/t20?,28-/m0/s1	C28H23F2N3O2	471.498	5	1	56.41	6	3	1	0.2266	5.58328000000001	3.77	7.676	46.6002	132.572	3.3384	406.173623336904
Cond-002124	NPD2225	NPD2225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	56.6908495202	CCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OCC)c(OCCC)cc1	InChI=1S/C30H37N3O4/c1-5-8-15-32-19-26(34)33-18-22(20-13-14-24(37-16-6-2)25(17-20)36-7-3)27-21-11-9-10-12-23(21)31-28(27)30(33,4)29(32)35/h9-14,17,22,31H,5-8,15-16,18-19H2,1-4H3/t22?,30-/m0/s1	C30H37N3O4	503.632	7	1	74.87	5	9	0	-2.4536	5.04109000000001	3.99	4.807	82.2509	147.369	3.9398	477.376763092348
Cond-002125	NPD2226	NPD2226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9436033402	CN(CC(=O)O)C(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C19H19NO6/c1-10-9-25-15-7-16-14(6-13(10)15)11(2)12(19(24)26-16)4-5-17(21)20(3)8-18(22)23/h6-7,9H,4-5,8H2,1-3H3,(H,22,23)	C19H19NO6	357.357	7	1	97.05	3	6	0	0.238499999999999	3.02849	2.78	1.173	61.1275	96.8318	2.5679	320.957241295002
Cond-002126	NPD2227	NPD2227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.934048611	CC(C)C1=C(O)C(=O)/C(=C\NNCc2ccccc2)/c2c1cc(C)c(c2O)c1c(O)c2c(cc1C)C(=C(O)C(=O)/C/2=C\NNCc1ccccc1)C(C)C	InChI=1S/C44H46N4O6/c1-23(2)33-29-17-25(5)35(41(51)37(29)31(39(49)43(33)53)21-47-45-19-27-13-9-7-10-14-27)36-26(6)18-30-34(24(3)4)44(54)40(50)32(38(30)42(36)52)22-48-46-20-28-15-11-8-12-16-28/h7-18,21-24,45-48,51-54H,19-20H2,1-6H3/b31-21-,32-22-	C44H46N4O6	726.859	10	8	163.18	6	11	3	-1.7562	6.53279	5.2	13.012	116.0738	211.9122	5.63400000000001	701.113174455766
Cond-002127	NPD2229	NPD2229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.083573487	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NC5CCCCC5)C(=O)[C@]34C)c2c1	InChI=1S/C24H30N4O4/c1-14(21(29)25-15-7-5-4-6-8-15)28-22(30)24(2)20-17(11-12-27(24)23(28)31)18-13-16(32-3)9-10-19(18)26-20/h9-10,13-15,26H,4-8,11-12H2,1-3H3,(H,25,29)/t14-,24-/m0/s1	C24H30N4O4	438.519	8	2	94.74	5	5	0	-3.0326	2.86548	3.22	2.201	77.3183	123.2707	3.2802	400.770532946914
Cond-002128	NPD223	NPD223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.192913108	CC(=O)OC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)(O[C@H]2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(=O)C)C(OC(=O)C)C2OC(=O)C)C1OC(=O)C	InChI=1S/C79H74O16/c1-54(80)88-70-68(51-85-77(59-33-15-6-16-34-59,60-35-17-7-18-36-60)61-37-19-8-20-38-61)93-75(73(91-57(4)83)72(70)90-56(3)82)95-76(53-87-79(65-45-27-12-28-46-65,66-47-29-13-30-48-66)67-49-31-14-32-50-67)74(92-58(5)84)71(89-55(2)81)69(94-76)52-86-78(62-39-21-9-22-40-62,63-41-23-10-24-42-63)64-43-25-11-26-44-64/h6-50,68-75H,51-53H2,1-5H3/t68?,69?,70-,71?,72?,73?,74?,75-,76?/m1/s1	C79H74O16	1279.42	16	0	186.88	11	30	3	-2.3511	10.32199	8.39	25.671	118.6041	345.911000000001	9.60830000000003	1197.19514721885
Cond-002129	NPD2231	NPD2231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.4022570439	O=C1C2C(Cc3ccccc3)NC3(C2C(=O)N1Cc1ccccc1)C(=O)Nc1ccccc31	InChI=1S/C27H23N3O3/c31-24-22-21(15-17-9-3-1-4-10-17)29-27(19-13-7-8-14-20(19)28-26(27)33)23(22)25(32)30(24)16-18-11-5-2-6-12-18/h1-14,21-23,29H,15-16H2,(H,28,33)	C27H23N3O3	437.49	6	2	78.51	6	4	1	-2.3642	3.05799	3.77	6.362	45.6462	125.0164	3.22080000000001	396.432747710986
Cond-002130	NPD2232	NPD2232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1596784598	CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(OC(=O)C)C(OC(=O)C)C(C)(C)C4CC[C@@]3(C)C1(C)CC2	InChI=1S/C37H58O6/c1-11-20-41-31(40)37-18-16-32(4,5)21-26(37)25-12-13-29-34(8)22-27(42-23(2)38)30(43-24(3)39)33(6,7)28(34)14-15-36(29,10)35(25,9)17-19-37/h12,26-30H,11,13-22H2,1-10H3/t26?,27?,28?,29?,30?,34-,35?,36+,37?/m0/s1	C37H58O6	598.853	6	0	78.9	5	8	1	2.58889999999999	8.37468	4.87	10.393	167.9817	169.753	4.95910000000001	628.921121754034
Cond-002131	NPD2233	NPD2233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.4138901014	CCCc1c([O-])c(C[NH+]2CCN(C)CC2)c2oc(C)c(c3nc4c(s3)cccc4)c(=O)c2c1	InChI=1S/C26H29N3O3S/c1-4-7-17-14-18-24(31)22(26-27-20-8-5-6-9-21(20)33-26)16(2)32-25(18)19(23(17)30)15-29-12-10-28(3)11-13-29/h5-6,8-9,14,30H,4,7,10-13,15H2,1-3H3	C26H29N3O3S	463.592	6	1	98.17	5	5	0	-1.8012	3.83537000000001	3.55	3.682	74.7487	134.7067	3.481	417.911621945919
Cond-002132	NPD2234	NPD2234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.41704818	CCCCc1c(O)nc(SCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)nc1O	InChI=1S/C21H26N4O4S/c1-2-3-5-15-19(28)22-21(23-20(15)29)30-12-18(27)24-9-13-8-14(11-24)16-6-4-7-17(26)25(16)10-13/h4,6-7,13-14H,2-3,5,8-12H2,1H3,(H2,22,23,28,29)	C21H26N4O4S	430.521	8	2	132.16	4	7	0	-2.3966	2.00765	2.78	1.123	93.4524	111.2066	3.1296	390.648061827713
Cond-002133	NPD2236	NPD2236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.4811385797	COc1cc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)c(OC)cc1	InChI=1S/C23H26N2O3/c1-15-6-8-19-18(12-15)22(2,3)23(24-21(26)14-25(19)23)11-10-16-13-17(27-4)7-9-20(16)28-5/h6-13H,14H2,1-5H3,(H,24,26)/b11-10+	C23H26N2O3	378.464	5	1	50.8	4	4	0	1.117	3.94719000000001	3.44	4.5	61.2791	112.5127	2.9466	362.410801204152
Cond-002134	NPD2237	NPD2237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5079168422	CC(C)C[C@H](NC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O)C(=O)O	InChI=1S/C25H29NO6/c1-13(2)10-19(24(28)29)26-23(27)9-8-15-14(3)17-11-18-16-6-4-5-7-20(16)31-22(18)12-21(17)32-25(15)30/h11-13,19H,4-10H2,1-3H3,(H,26,27)(H,28,29)/t19-/m0/s1	C25H29NO6	439.501	7	2	105.84	4	8	0	0.109399999999999	4.87786000000001	3.44	4.076	82.5495	125.7455	3.3047	412.376690349402
Cond-002135	NPD2239	NPD2239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8765912908	C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C29H27NO6/c1-18-23-14-15-25(19(2)26(23)36-28(32)24(18)16-21-10-6-4-7-11-21)35-27(31)20(3)30-29(33)34-17-22-12-8-5-9-13-22/h4-15,20H,16-17H2,1-3H3,(H,30,33)/t20-/m0/s1	C29H27NO6	485.528	7	1	90.93	4	10	1	1.4564	4.68411000000001	3.88	8.775	58.7935	137.7417	3.6533	457.478335348869
Cond-002136	NPD224	NPD224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.780079701	Cc1c2oc(=O)c3c(CCCC3)c2cc2c1occ2c1cc2c(OCO2)cc1	InChI=1S/C23H18O5/c1-12-21-17(9-16-14-4-2-3-5-15(14)23(24)28-22(12)16)18(10-25-21)13-6-7-19-20(8-13)27-11-26-19/h6-10H,2-5,11H2,1H3	C23H18O5	374.386	5	0	57.9	6	1	0	-0.2805	6.20428	3.44	4.08	44.3174	109.623	2.6042	319.748358086541
Cond-002137	NPD2240	NPD2240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.1139564661	COc1cc(OC)c(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1	InChI=1S/C23H26N2O3/c1-15-6-9-19-18(12-15)22(2,3)23(24-21(26)14-25(19)23)11-10-16-7-8-17(27-4)13-20(16)28-5/h6-13H,14H2,1-5H3,(H,24,26)/b11-10+	C23H26N2O3	378.464	5	1	50.8	4	4	0	1.117	3.94719000000001	3.44	4.5	61.2791	112.5127	2.9466	362.410801204152
Cond-002138	NPD2241	NPD2241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.6489374953	CCOC(=O)C1=C(N)Oc2c(ccc(O)c2)C21C(=O)N1c3c(cccc23)C(C)CC1(C)C	InChI=1S/C25H26N2O5/c1-5-31-22(29)19-21(26)32-18-11-14(28)9-10-16(18)25(19)17-8-6-7-15-13(2)12-24(3,4)27(20(15)17)23(25)30/h6-11,13,28H,5,12,26H2,1-4H3	C25H26N2O5	434.484	7	3	102.09	5	3	0	-1.0359	4.44647000000001	3.44	4.886	69.058	123.1912	3.1942	399.590306455408
Cond-002139	NPD2242	NPD2242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8711576194	COc1cccc(c1)N1C(=O)N=C(O)/C(=C/c2c(CCNC(=O)C)c3c([nH]2)cccc3)/C1=O	InChI=1S/C24H22N4O5/c1-14(29)25-11-10-18-17-8-3-4-9-20(17)26-21(18)13-19-22(30)27-24(32)28(23(19)31)15-6-5-7-16(12-15)33-2/h3-9,12-13,26H,10-11H2,1-2H3,(H,25,29)(H,27,30,32)/b19-13-	C24H22N4O5	446.455	9	3	124.09	4	7	0	-1.5254	3.12515	3.11	3.375	62.4047	129.1075	3.2325	397.834924844274
Cond-002140	NPD2243	NPD2243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.9667422336	CSC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C20H21NO6S/c1-9-11(3)26-16-7-17-13(5-12(9)16)10(2)14(20(25)27-17)6-18(22)21-15(8-28-4)19(23)24/h5,7,15H,6,8H2,1-4H3,(H,21,22)(H,23,24)/t15-/m0/s1	C20H21NO6S	403.449	7	2	131.14	3	7	0	1.2625	3.03661	2.78	2.498	73.2611	110.9595	2.8723	356.762249978468
Cond-002141	NPD2244	NPD2244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4372169617	COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@]34C)c3ccc(cc3)N(=O)=O)c2c1	InChI=1S/C21H18N4O5/c1-21-18-15(16-11-14(30-2)7-8-17(16)22-18)9-10-23(21)20(27)24(19(21)26)12-3-5-13(6-4-12)25(28)29/h3-8,11,22H,9-10H2,1-2H3/t21-/m0/s1	C21H18N4O5	406.391	9	1	108.78	5	3	0	-0.141500000000001	2.89107	2.78	2.894	46.5894	114.438	2.7872	338.863429667474
Cond-002142	NPD2245	NPD2245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0568999346	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4cc(Cl)c(C)cc4)c4C(=O)C(=C(N5CCCCC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C)/C	InChI=1S/C48H57ClN2O12/c1-23-16-17-30(22-31(23)49)47(59)62-43-29(7)44-35-33-34(43)41(55)36(37(42(33)56)51-19-11-10-12-20-51)50-46(58)25(3)15-13-14-24(2)38(52)27(5)40(54)28(6)39(53)26(4)32(60-9)18-21-61-48(8,63-44)45(35)57/h13-18,21-22,24,26-28,32,38-40,52-54H,10-12,19-20H2,1-9H3,(H,50,58)/b14-13-,21-18-,25-15-/t24-,26+,27+,28+,32-,38-,39+,40-,48-/m0/s1	C48H57ClN2O12	889.425	14	4	198.23	5	5	2	-0.751199999999999	6.46247000000001	5.09	5.787	185.0816	237.408599999999	6.60160000000002	845.965396619098
Cond-002143	NPD2246	NPD2246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.4487758852	COC(=O)C(Cc1ccc(O)cc1)NC(=O)CO/N=C\1/CC[C@]2(C)C3C(O)C[C@@]4(C)C(CC[C@]4(O)C(=O)CO)C3CCC2=C1	InChI=1S/C33H44N2O9/c1-31-12-10-21(35-44-18-28(40)34-25(30(41)43-3)14-19-4-7-22(37)8-5-19)15-20(31)6-9-23-24-11-13-33(42,27(39)17-36)32(24,2)16-26(38)29(23)31/h4-5,7-8,15,23-26,29,36-38,42H,6,9-14,16-18H2,1-3H3,(H,34,40)/b35-21-/t23?,24?,25?,26?,29?,31-,32-,33-/m0/s1	C33H44N2O9	612.71	11	5	174.98	5	11	1	-2.4979	2.50097000000001	3.88	2.039	133.9876	164.4109	4.5992	586.655548965385
Cond-002144	NPD2247	NPD2247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.7767079893	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(C1CCCC1)C2=O	InChI=1S/C26H26ClN3O2/c1-26-24-23(19-8-4-5-9-21(19)28-24)20(16-10-12-17(27)13-11-16)14-30(26)22(31)15-29(25(26)32)18-6-2-3-7-18/h4-5,8-13,18,20,28H,2-3,6-7,14-15H2,1H3/t20?,26-/m0/s1	C26H26ClN3O2	447.957	5	1	56.41	6	2	0	-2.218	4.64949000000001	3.66	4.496	59.7255	127.905	3.2726	393.466980257391
Cond-002145	NPD2248	NPD2248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.203885376	CCC(C)c1c(O)nc(SCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)nc1O	InChI=1S/C21H26N4O4S/c1-3-12(2)18-19(28)22-21(23-20(18)29)30-11-17(27)24-8-13-7-14(10-24)15-5-4-6-16(26)25(15)9-13/h4-6,12-14H,3,7-11H2,1-2H3,(H2,22,23,28,29)	C21H26N4O4S	430.521	8	2	132.16	4	6	0	-2.0376	2.17855000000001	2.78	1.062	94.2107	111.3006	3.1296	390.648061827713
Cond-002146	NPD2249	NPD2249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0082338411	Cc1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cc(Cl)c(Cl)cc1	InChI=1S/C20H15Cl2N3O/c1-11-19-14(13-4-2-3-5-17(13)25-19)9-18(24-11)20(26)23-10-12-6-7-15(21)16(22)8-12/h2-9,25H,10H2,1H3,(H,23,26)	C20H15Cl2N3O	384.259	4	2	57.78	4	4	0	0.8845	4.993	3	4.85	32.4174	109.9177	2.6651	307.288372272863
Cond-002147	NPD225	NPD225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0728046035	COC(=O)C(Cc1c[nH]c2c1cccc2)NC1OC(=O)c2c1ccc(OC)c2OC	InChI=1S/C22H22N2O6/c1-27-17-9-8-14-18(19(17)28-2)22(26)30-20(14)24-16(21(25)29-3)10-12-11-23-15-7-5-4-6-13(12)15/h4-9,11,16,20,23-24H,10H2,1-3H3	C22H22N2O6	410.42	8	2	98.88	4	8	0	-0.9868	2.33329	3	3.38	50.8774	112.6277	2.9388	357.949037979169
Cond-002148	NPD2250	NPD2250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.6869688034	COc1ccc2c(CC(=O)N[C@@H](CCSC)C(=O)O)cc(=O)oc2c1C	InChI=1S/C18H21NO6S/c1-10-14(24-2)5-4-12-11(9-16(21)25-17(10)12)8-15(20)19-13(18(22)23)6-7-26-3/h4-5,9,13H,6-8H2,1-3H3,(H,19,20)(H,22,23)/t13-/m0/s1	C18H21NO6S	379.427	7	2	127.23	2	9	0	0.0842000000000003	2.84569	2.56	1.884	71.7798	103.9975	2.7421	348.063198128335
Cond-002149	NPD2251	NPD2251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1937432999	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(cc1)N(=O)=O	InChI=1S/C31H30N4O6/c1-4-16-41-25-15-10-19(17-26(25)40-5-2)23-18-33-30(37)34(20-11-13-21(14-12-20)35(38)39)29(36)31(33,3)28-27(23)22-8-6-7-9-24(22)32-28/h6-15,17,23,32H,4-5,16,18H2,1-3H3/t23?,31-/m0/s1	C31H30N4O6	554.593	10	1	118.01	6	8	1	-0.560199999999998	5.69738000000001	3.77	6.014	65.1459	158.761	4.0173	489.447667823503
Cond-002150	NPD2252	NPD2252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2544075643	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCCN(CCCC)CCCC)c(=O)cc12)NC(=O)C	InChI=1S/C32H47N3O5/c1-7-9-17-35(18-10-8-2)19-11-16-33-27-15-13-24-25(21-28(27)37)26(34-22(3)36)14-12-23-20-29(38-4)31(39-5)32(40-6)30(23)24/h13,15,20-21,26H,7-12,14,16-19H2,1-6H3,(H,33,37)(H,34,36)/t26-/m0/s1	C32H47N3O5	553.733	8	2	89.13	3	16	1	-2.5596	4.72516000000001	4.1	4.354	130.5046	161.6904	4.5405	569.908335147041
Cond-002151	NPD2253	NPD2253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.4491003443	CCC(=O)NCCc1c([nH]c2c1cccc2)/C=C\1/C(=O)N=C(S)N(CCc2ccccc2)C1=O	InChI=1S/C26H26N4O3S/c1-2-23(31)27-14-12-19-18-10-6-7-11-21(18)28-22(19)16-20-24(32)29-26(34)30(25(20)33)15-13-17-8-4-3-5-9-17/h3-11,16,28H,2,12-15H2,1H3,(H,27,31)(H,29,32,34)/b20-16-	C26H26N4O3S	474.575	7	2	133.43	4	9	1	-0.502900000000002	3.38946000000001	3.44	6.05	75.6902	141.0367	3.5604	433.355464752486
Cond-002152	NPD2254	NPD2254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.7881511645	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1	C41H76N2O15	837.047	17	5	216.89	3	13	2	-2.6352	2.44349000000001	4.1	1.736	206.9502	215.708999999999	6.55380000000002	829.19645578208
Cond-002153	NPD2255	NPD2255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4989462975	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccccc4)c4C(=O)C(=C(N5CCCC5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C48H56N2O13/c1-24-16-15-17-25(2)46(57)49-36-37(50-21-13-14-22-50)41(55)33-34(40(36)54)43(62-47(58)31-18-11-10-12-19-31)29(6)44-35(33)45(56)48(8,63-44)60-23-20-32(59-9)26(3)42(61-30(7)51)28(5)39(53)27(4)38(24)52/h10-12,15-20,23-24,26-28,32,38-39,42,52-53H,13-14,21-22H2,1-9H3,(H,49,57)/b16-15-,23-20-,25-17-/t24-,26+,27+,28-,32-,38-,39-,42+,48-/m0/s1	C48H56N2O13	868.964	15	3	204.3	5	7	2	-1.4704	5.96175000000001	5.09	6.594	180.2038	233.688799999999	6.49490000000002	836.908096848426
Cond-002154	NPD2256	NPD2256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2570791851	CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C30H38N4O6S/c1-19(2)16-26(33-41(39,40)23-10-8-20(3)9-11-23)29(36)34-14-12-21(13-15-34)28(35)32-27(30(37)38)17-22-18-31-25-7-5-4-6-24(22)25/h4-11,18-19,21,26-27,31,33H,12-17H2,1-3H3,(H,32,35)(H,37,38)/t26-,27-/m0/s1	C30H38N4O6S	582.711	10	4	157.05	4	13	1	-2.3451	3.61069000000001	3.55	4.557	91.1458	154.9322	4.3861	534.183000759236
Cond-002155	NPD2258	NPD2258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.751305033	CC(C)c1ccc(cc1)/C=C/C12NC(=O)CN1c1ccc(C)cc1C2(C)C	InChI=1S/C24H28N2O/c1-16(2)19-9-7-18(8-10-19)12-13-24-23(4,5)20-14-17(3)6-11-21(20)26(24)15-22(27)25-24/h6-14,16H,15H2,1-5H3,(H,25,27)/b13-12+	C24H28N2O	360.492	3	1	32.34	4	3	1	1.7935	5.05339000000001	3.77	8.054	60.9153	113.4977	2.9701	362.126332428897
Cond-002156	NPD2259	NPD2259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4357332808	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCc3ccc(cc3)S(=O)(=O)N)c(=O)cc12)NC(=O)C	InChI=1S/C29H33N3O7S/c1-17(33)32-23-11-7-19-15-26(37-2)28(38-3)29(39-4)27(19)21-10-12-24(25(34)16-22(21)23)31-14-13-18-5-8-20(9-6-18)40(30,35)36/h5-6,8-10,12,15-16,23H,7,11,13-14H2,1-4H3,(H,31,34)(H,32,33)(H2,30,35,36)/t23-/m0/s1	C29H33N3O7S	567.653	10	4	154.43	4	10	0	-1.9511	2.27496000000001	3.44	2.16	102.708	146.9238	4.1611	522.944023924964
Cond-002157	NPD226	NPD226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9569104681	O=C(O[C@H]1[C@H](O[C@@H]2OC3(CCCCC3)O[C@H]12)C1COC2(CCCCC2)O1)c1ccccc1	InChI=1S/C25H32O7/c26-22(17-10-4-1-5-11-17)28-20-19(18-16-27-24(30-18)12-6-2-7-13-24)29-23-21(20)31-25(32-23)14-8-3-9-15-25/h1,4-5,10-11,18-21,23H,2-3,6-9,12-16H2/t18?,19-,20+,21-,23-/m1/s1	C25H32O7	444.517	7	0	72.45	6	4	1	-3.7594	4.05689000000001	3.44	5.647	69.5857	115.743	3.2184	406.903074243397
Cond-002158	NPD2260	NPD2260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1519957321	COC(=O)C1=C(N)Oc2c(C1c1c(OC)cccc1)c(=O)n(Cc1ccco1)c(C)c2	InChI=1S/C23H22N2O6/c1-13-11-17-19(22(26)25(13)12-14-7-6-10-30-14)18(15-8-4-5-9-16(15)28-2)20(21(24)31-17)23(27)29-3/h4-11,18H,12,24H2,1-3H3	C23H22N2O6	422.431	8	2	104.23	4	6	0	-1.0885	2.59936	3.11	3.113	73.51	114.1964	3.0367	383.508563904235
Cond-002159	NPD2261	NPD2261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8198281528	CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccc(OC)cc2)c1	InChI=1S/C29H29NO7S/c1-4-5-6-26(30-38(33,34)23-14-7-19(2)8-15-23)29(32)36-22-13-16-24-25(18-28(31)37-27(24)17-22)20-9-11-21(35-3)12-10-20/h7-18,26,30H,4-6H2,1-3H3	C29H29NO7S	535.608	8	1	116.38	4	11	2	-1.3328	5.58248	3.66	7.291	63.5226	141.4397	3.9185	487.41404480783
Cond-002160	NPD2262	NPD2262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1496109524	COc1cccc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)c1OC	InChI=1S/C24H28N2O3/c1-16-9-10-19-18(15-16)23(2,3)24(25-21(27)12-14-26(19)24)13-11-17-7-6-8-20(28-4)22(17)29-5/h6-11,13,15H,12,14H2,1-5H3,(H,25,27)/b13-11+	C24H28N2O3	392.491	5	1	50.8	4	4	0	1.3652	4.33729000000001	3.55	4.658	65.9785	117.1297	3.0875	379.706785830019
Cond-002161	NPD2263	NPD2263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8526942528	Cc1cccc(C)c1N1C(=O)C2C(CC(=O)N)NC3(C2C1=O)C(=O)Nc1ccccc31	InChI=1S/C23H22N4O4/c1-11-6-5-7-12(2)19(11)27-20(29)17-15(10-16(24)28)26-23(18(17)21(27)30)13-8-3-4-9-14(13)25-22(23)31/h3-9,15,17-18,26H,10H2,1-2H3,(H2,24,28)(H,25,31)	C23H22N4O4	418.445	8	4	121.6	5	3	0	-1.7542	1.67243	3.11	1.774	59.0635	114.3438	3.01030000000001	375.565172218647
Cond-002162	NPD2264	NPD2264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6954678107	Fc1cc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)ccc1	InChI=1S/C25H15FO5/c26-17-6-3-4-15(10-17)14-29-18-8-9-19-20(13-24(27)30-23(19)12-18)21-11-16-5-1-2-7-22(16)31-25(21)28/h1-13H,14H2	C25H15FO5	414.382	5	0	61.83	5	4	1	0.5927	4.73946	3.55	6.452	37.9091	113.264	2.8403	362.21851008618
Cond-002163	NPD2265	NPD2265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.319523679	N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	InChI=1S/C20H27N3O6/c21-15(12-13-4-2-1-3-5-13)19(27)23-10-8-14(9-11-23)18(26)22-16(20(28)29)6-7-17(24)25/h1-5,14-16H,6-12,21H2,(H,22,26)(H,24,25)(H,28,29)/t15-,16-/m0/s1	C20H27N3O6	405.445	9	5	150.03	2	11	1	-3.7016	0.463089999999999	2.67	-0.538	71.3847	107.1047	3.06	386.139663738802
Cond-002164	NPD2266	NPD2266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.6918676825	CCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C24H27NO6S/c1-6-7-20(25-32(28,29)18-10-8-14(2)9-11-18)24(27)30-21-13-12-19-15(3)16(4)23(26)31-22(19)17(21)5/h8-13,20,25H,6-7H2,1-5H3	C24H27NO6S	457.539	7	1	107.15	3	8	1	0.8441	5.12900000000001	3.22	5.346	68.6565	120.9847	3.3929	423.309729781136
Cond-002165	NPD2267	NPD2267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.486634613	Nc1nc2c(nc(SC/C=C/c3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	InChI=1S/C19H21N5O5S/c20-18-22-15-12(16(28)23-18)21-19(30-8-4-7-10-5-2-1-3-6-10)24(15)17-14(27)13(26)11(9-25)29-17/h1-7,11,13-14,17,25-27H,8-9H2,(H3,20,22,23,28)/b7-4+/t11-,13-,14-,17-/m1/s1	C19H21N5O5S	431.466	10	6	180.52	4	6	0	-1.0522	0.19706	2.34	2.389	69.2598	114.5295	2.9633	362.306620783907
Cond-002166	NPD2268	NPD2268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.5705886749	CC(C)C[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C20H29N3O4/c1-13(2)12-16(21)19(25)23-10-8-15(9-11-23)18(24)22-17(20(26)27)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3,(H,22,24)(H,26,27)/t16-,17-/m0/s1	C20H29N3O4	375.462	7	4	112.73	2	9	0	-2.4425	1.43329	2.89	0.642000000000001	70.5588	104.1609	2.9856	371.19566903848
Cond-002167	NPD2269	NPD2269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8830794566	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NCCC(c5ccccc5)c5ccccc5)C(=O)[C@]34C)c2c1	InChI=1S/C33H34N4O4/c1-21(30(38)34-18-16-25(22-10-6-4-7-11-22)23-12-8-5-9-13-23)37-31(39)33(2)29-26(17-19-36(33)32(37)40)27-20-24(41-3)14-15-28(27)35-29/h4-15,20-21,25,35H,16-19H2,1-3H3,(H,34,38)/t21-,33-/m0/s1	C33H34N4O4	550.647	8	2	94.74	6	9	1	-1.9495	4.73828000000001	4.21	8.045	70.7659	159.6817	4.18170000000001	506.459183674114
Cond-002168	NPD227	NPD227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5234793131	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c([O-])n(c(=O)[nH]c1=O)c1ccc(I)cc1	InChI=1S/C22H20IN3O6/c1-25-8-7-11-9-14-18(32-10-31-14)19(30-2)15(11)17(25)16-20(27)24-22(29)26(21(16)28)13-5-3-12(23)4-6-13/h3-6,9,17,28H,7-8,10H2,1-2H3,(H,24,27,29)	C22H20IN3O6	549.315	9	2	104.6	5	3	0	-1.323	1.87106	2.78	2.676	69.0161	126.5254	3.1882	392.766141156801
Cond-002169	NPD2270	NPD2270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1812671908	CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C29H27NO6/c1-3-25(30-29(33)34-18-21-12-8-5-9-13-21)28(32)35-22-14-15-23-19(2)24(27(31)36-26(23)17-22)16-20-10-6-4-7-11-20/h4-15,17,25H,3,16,18H2,1-2H3,(H,30,33)	C29H27NO6	485.528	7	1	90.93	4	11	2	0.526399999999999	4.99148000000001	3.88	9.021	56.203	138.4527	3.6533	457.478335348869
Cond-002170	NPD2271	NPD2271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2445582586	CCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c(Cl)cc12	InChI=1S/C21H24ClNO6/c1-2-13-7-20(25)29-17-9-18(16(22)8-15(13)17)28-11-19(24)23-10-12-3-5-14(6-4-12)21(26)27/h7-9,12,14H,2-6,10-11H2,1H3,(H,23,24)(H,26,27)/t12-,14-	C21H24ClNO6	421.871	7	2	101.93	3	8	0	0.4783	3.99037	2.89	2.709	81.0669	111.1855	3.0151	384.296737017969
Cond-002171	NPD2272	NPD2272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7105804858	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCc1cc(OC)c(OC)cc1)C2=O)c1cc(Br)ccc1	InChI=1S/C30H28BrN3O4/c1-37-25-11-10-18(14-26(25)38-2)12-13-33-17-27(35)34-24(30(33)36)16-22-21-8-3-4-9-23(21)32-28(22)29(34)19-6-5-7-20(31)15-19/h3-11,14-15,24,29,32H,12-13,16-17H2,1-2H3/t24-,29?/m0/s1	C30H28BrN3O4	574.465	7	1	74.87	6	6	1	-0.9845	4.67458000000001	3.88	5.373	66.7258	151.463	3.8772	465.494547266714
Cond-002172	NPD2273	NPD2273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	54.0978235432	CC(C)CCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(C)cc1	InChI=1S/C27H31N3O2/c1-17(2)13-14-29-16-23(31)30-15-21(19-11-9-18(3)10-12-19)24-20-7-5-6-8-22(20)28-25(24)27(30,4)26(29)32/h5-12,17,21,28H,13-16H2,1-4H3/t21?,27-/m0/s1	C27H31N3O2	429.554	5	1	56.41	5	4	1	-0.821400000000002	4.12761000000001	3.88	6.377	66.4593	128.601	3.3997	407.908355813625
Cond-002173	NPD2274	NPD2274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.6466455744	O=C(COc1ccc2c(=O)c(coc2c1)c1ccc2OCCOc2c1)c1ccccc1	InChI=1S/C25H18O6/c26-21(16-4-2-1-3-5-16)15-30-18-7-8-19-23(13-18)31-14-20(25(19)27)17-6-9-22-24(12-17)29-11-10-28-22/h1-9,12-14H,10-11,15H2	C25H18O6	414.407	6	0	71.06	5	5	1	-1.5714	5.12296	3.55	5.252	39.495	119.1585	2.9243	367.577636637235
Cond-002174	NPD2276	NPD2276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8286917856	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C27H31N3O4/c1-5-13-34-21-12-11-17(14-22(21)33-6-2)19-15-30-23(31)16-29(4)26(32)27(30,3)25-24(19)18-9-7-8-10-20(18)28-25/h7-12,14,19,28H,5-6,13,15-16H2,1-4H3/t19?,27-/m0/s1	C27H31N3O4	461.553	7	1	74.87	5	6	0	-1.8382	3.87079000000001	3.66	3.457	71.5135	133.518	3.5171	425.488809214747
Cond-002175	NPD2277	NPD2277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.7687807161	COc1c(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2cc(OC)c(OC(C)C)cc2)cccc1	InChI=1S/C33H35N3O5/c1-20(2)41-27-15-14-21(16-28(27)40-5)24-18-36-29(37)19-35(17-22-10-6-9-13-26(22)39-4)32(38)33(36,3)31-30(24)23-11-7-8-12-25(23)34-31/h6-16,20,24,34H,17-19H2,1-5H3/t24?,33-/m0/s1	C33H35N3O5	553.648	8	1	84.1	6	7	1	-1.9538	5.27409000000001	4.21	5.178	75.2238	161.224	4.1836	506.889108867308
Cond-002176	NPD2278	NPD2278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0843972322	CCOC(=O)COc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)c(OC)ccc3)c1	InChI=1S/C23H18O8/c1-3-28-21(25)12-29-14-7-8-15-16(11-20(24)30-19(15)10-14)17-9-13-5-4-6-18(27-2)22(13)31-23(17)26/h4-11H,3,12H2,1-2H3	C23H18O8	422.384	8	0	97.36	4	7	0	0.1094	3.31136	3.11	3.689	60.4844	111.968	2.9115	376.459038188224
Cond-002177	NPD2279	NPD2279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.6927217412	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCCC3=CCCCC3)c1C)c2	InChI=1S/C24H27NO4/c1-15-14-28-21-13-22-20(12-19(15)21)16(2)18(24(27)29-22)8-9-23(26)25-11-10-17-6-4-3-5-7-17/h6,12-14H,3-5,7-11H2,1-2H3,(H,25,26)	C24H27NO4	393.475	5	1	68.54	4	7	0	0.859200000000002	5.41838000000001	3.55	3.807	77.0524	115.4667	3.0464	377.500252322413
Cond-002178	NPD228	NPD228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	90.4741754823	[C@H](Cc1c[nH]c2c1cccc2)(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccc(Cl)cc1)c(C)o2	InChI=1S/C35H27ClN2O7/c1-21-33(44-25-13-11-24(36)12-14-25)32(39)28-16-15-26(18-31(28)43-21)45-34(40)30(17-23-19-37-29-10-6-5-9-27(23)29)38-35(41)42-20-22-7-3-2-4-8-22/h2-16,18-19,30,37H,17,20H2,1H3,(H,38,41)/t30-/m1/s1	C35H27ClN2O7	623.051	9	2	115.95	6	12	2	-0.4926	7.25955000000001	4.21	9.429	60.1912	174.7922	4.39040000000001	539.19354557843
Cond-002179	NPD2280	NPD2280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2004940305	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccc(OC)cc1)C2=O)c1ccc(cc1)N(=O)=O	InChI=1S/C28H24N4O5/c1-37-20-12-6-17(7-13-20)15-30-16-25(33)31-24(28(30)34)14-22-21-4-2-3-5-23(21)29-26(22)27(31)18-8-10-19(11-9-18)32(35)36/h2-13,24,27,29H,14-16H2,1H3/t24-,27?/m0/s1	C28H24N4O5	496.514	9	1	108.78	6	5	0	-1.417	3.28868000000001	3.55	4.912	50.2491	140.116	3.53590000000001	428.769487245341
Cond-002180	NPD2281	NPD2281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.4249975377	CCCOc1ccc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)cc1OCC	InChI=1S/C27H34N2O3/c1-6-16-32-23-11-9-20(18-24(23)31-7-2)12-14-27-26(4,5)21-17-19(3)8-10-22(21)29(27)15-13-25(30)28-27/h8-12,14,17-18H,6-7,13,15-16H2,1-5H3,(H,28,30)/b14-12+	C27H34N2O3	434.57	5	1	50.8	4	7	1	1.2882	5.50759000000001	3.88	5.862	78.0981	130.9807	3.5102	431.59473970762
Cond-002181	NPD2283	NPD2283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9040486777	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(Cc3cc(ccc3)C(F)(F)F)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C34H34F3N3O4/c1-4-15-44-27-14-13-22(17-28(27)43-5-2)25-19-40-29(41)20-39(18-21-9-8-10-23(16-21)34(35,36)37)32(42)33(40,3)31-30(25)24-11-6-7-12-26(24)38-31/h6-14,16-17,25,38H,4-5,15,18-20H2,1-3H3/t25?,33-/m0/s1	C34H34F3N3O4	605.647	7	1	74.87	6	9	1	-0.830799999999998	5.77939000000001	4.1	7.057	76.9636	161.208	4.3189	533.597543343532
Cond-002182	NPD2284	NPD2284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.1661144466	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCC)c(=O)cc12)NC(=O)C	InChI=1S/C24H30N2O5/c1-6-11-25-19-10-8-16-17(13-20(19)28)18(26-14(2)27)9-7-15-12-21(29-3)23(30-4)24(31-5)22(15)16/h8,10,12-13,18H,6-7,9,11H2,1-5H3,(H,25,28)(H,26,27)/t18-/m0/s1	C24H30N2O5	426.505	7	2	85.89	3	8	0	-1.5069	2.84286	3.33	2.224	95.9249	121.1084	3.3135	420.543697931941
Cond-002183	NPD2285	NPD2285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.1864677014	CCC(C)[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C21H31N3O4/c1-3-14(2)18(22)20(26)24-11-9-16(10-12-24)19(25)23-17(21(27)28)13-15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13,22H2,1-2H3,(H,23,25)(H,27,28)/t14?,17-,18+/m1/s1	C21H31N3O4	389.489	7	4	112.73	2	10	0	-3.3119	1.64439	3	1.211	74.0502	109.6899	3.1265	388.491653664347
Cond-002184	NPD2286	NPD2286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.4760220224	CC(=O)Oc1ccc(cc1)N1C(=O)C2C3CCCN3C3(C2C1=O)C(=O)Nc1c3cc(C)cc1Cl	InChI=1S/C25H22ClN3O5/c1-12-10-16-21(17(26)11-12)27-24(33)25(16)20-19(18-4-3-9-28(18)25)22(31)29(23(20)32)14-5-7-15(8-6-14)34-13(2)30/h5-8,10-11,18-20H,3-4,9H2,1-2H3,(H,27,33)	C25H22ClN3O5	479.912	8	1	96.02	6	3	0	-1.2639	3.7729	3.22	2.399	69.0358	127.3867	3.2648	410.805217032408
Cond-002185	NPD2287	NPD2287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8060511647	Cc1c(C)c2ccc(OC(=O)CCCNC(=O)OCc3ccccc3)c(C)c2oc1=O	InChI=1S/C24H25NO6/c1-15-16(2)23(27)31-22-17(3)20(12-11-19(15)22)30-21(26)10-7-13-25-24(28)29-14-18-8-5-4-6-9-18/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3,(H,25,28)	C24H25NO6	423.458	7	1	90.93	3	10	1	1.5064	3.85301000000001	3.33	5.394	62.6461	117.9087	3.1864	402.164247022736
Cond-002186	NPD2288	NPD2288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8690366458	COC(=O)c1c(cccc1)N1C(=O)C2C(Cc3c[nH]c4c3cccc4)NC3(C2C1=O)C(=O)Nc1ccccc31	InChI=1S/C30H24N4O5/c1-39-28(37)18-9-3-7-13-23(18)34-26(35)24-22(14-16-15-31-20-11-5-2-8-17(16)20)33-30(25(24)27(34)36)19-10-4-6-12-21(19)32-29(30)38/h2-13,15,22,24-25,31,33H,14H2,1H3,(H,32,38)	C30H24N4O5	520.535	9	3	120.6	7	5	0	-2.785	3.32758	3.77	4.154	56.2224	147.1564	3.66610000000001	448.368539095475
Cond-002187	NPD2289	NPD2289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.409249976	CC(=O)OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](COC(=O)C)[C@@H](O[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)C(=O)c3c(c(O)ccc3O)C2=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C62H74O40/c1-21(63)81-17-37-45(85-25(5)67)51(87-27(7)69)55(91-31(11)73)59(95-37)99-47-39(19-83-23(3)65)97-61(57(93-33(13)75)53(47)89-29(9)71)101-49-43(79)41-35(77)15-16-36(78)42(41)44(80)50(49)102-62-58(94-34(14)76)54(90-30(10)72)48(40(98-62)20-84-24(4)66)100-60-56(92-32(12)74)52(88-28(8)70)46(86-26(6)68)38(96-60)18-82-22(2)64/h15-16,37-40,45-48,51-62,77-78H,17-20H2,1-14H3/t37-,38-,39-,40-,45-,46-,47-,48-,51+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61+,62+/m1/s1	C62H74O40	1459.23	40	2	516.64	6	40	2	-4.4748	-0.508329999999989	3.88	-0.165999999999999	287.6986	319.4828	9.68080000000003	1294.74864730619
Cond-002188	NPD229	NPD229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7835051546	OC(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(cc1)N(=O)=O	InChI=1S/C19H21N3O4/c23-18(14-4-6-16(7-5-14)22(25)26)12-20-9-13-8-15(11-20)17-2-1-3-19(24)21(17)10-13/h1-7,13,15,18,23H,8-12H2/t13-,15-,18?/m1/s1	C19H21N3O4	355.388	7	1	86.92	4	4	0	-0.593499999999999	1.46637	2.78	1.478	69.4016	98.8278000000001	2.5845	326.550308310213
Cond-002189	NPD2290	NPD2290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.1950628061	COc1c(/C=C/C=C/2\Oc3cc(OCc4ccc(C=C)cc4)ccc3C2=O)cccc1	InChI=1S/C27H22O4/c1-3-19-11-13-20(14-12-19)18-30-22-15-16-23-26(17-22)31-25(27(23)28)10-6-8-21-7-4-5-9-24(21)29-2/h3-17H,1,18H2,2H3/b8-6+,25-10-	C27H22O4	410.461	4	0	44.76	4	7	1	0.5841	5.78005	3.99	8.184	50.7243	124.309	3.15430000000001	394.309152487846
Cond-002190	NPD2291	NPD2291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0643232605	CC(C)CCCN1C(=O)N=C([O-])C2(C[N+](C)c3c(C2)cc(C)cc3)C1=O	InChI=1S/C20H27N3O3/c1-13(2)6-5-9-23-18(25)20(17(24)21-19(23)26)11-15-10-14(3)7-8-16(15)22(4)12-20/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,21,24,26)	C20H26N3O3	356.439	6	1	77.24	3	4	0	-1.695	0.056200000000003	3	3.75	67.8586	99.9177	2.8183	350.048983637119
Cond-002191	NPD2292	NPD2292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7722549233	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccccc4)c4C(=O)C(=C(Nc5ccc(C)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C51H56N2O13/c1-25-19-21-34(22-20-25)52-39-40-44(58)37-36(43(39)57)38-47(31(7)46(37)65-50(61)33-17-12-11-13-18-33)66-51(9,48(38)59)63-24-23-35(62-10)28(4)45(64-32(8)54)30(6)42(56)29(5)41(55)26(2)15-14-16-27(3)49(60)53-40/h11-24,26,28-30,35,41-42,45,52,55-56H,1-10H3,(H,53,60)/b15-14-,24-23-,27-16-/t26-,28+,29+,30-,35-,41-,42-,45+,51-/m0/s1	C51H56N2O13	904.996	15	4	213.09	5	8	2	-0.709199999999999	7.60616	5.42	8.7	170.8603	246.829499999999	6.78860000000002	869.986674623626
Cond-002192	NPD2293	NPD2293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7015232606	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1ccccc1OC)C2=O)c1ccc(cc1)N(=O)=O	InChI=1S/C28H24N4O5/c1-37-24-9-5-2-6-18(24)15-30-16-25(33)31-23(28(30)34)14-21-20-7-3-4-8-22(20)29-26(21)27(31)17-10-12-19(13-11-17)32(35)36/h2-13,23,27,29H,14-16H2,1H3/t23-,27?/m0/s1	C28H24N4O5	496.514	9	1	108.78	6	5	1	-1.417	3.84418000000001	3.55	5.123	50.2491	142.443	3.53590000000001	428.769487245341
Cond-002193	NPD2294	NPD2294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.5107246954	Oc1ccc(CC2NC3(C4C2C(=O)N(C4=O)c2cccc4ccccc24)C(=O)Nc2ccccc32)cc1	InChI=1S/C30H23N3O4/c34-19-14-12-17(13-15-19)16-23-25-26(30(32-23)21-9-3-4-10-22(21)31-29(30)37)28(36)33(27(25)35)24-11-5-7-18-6-1-2-8-20(18)24/h1-15,23,25-26,32,34H,16H2,(H,31,37)	C30H23N3O4	489.521	7	3	98.74	7	3	1	-2.8361	4.78778000000001	3.99	5.644	43.4986	142.3032	3.50760000000001	428.581552186747
Cond-002194	NPD2295	NPD2295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.0029236916	COc1ccc(cc1)C1CN2C(=O)CN(CCc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H29N3O3/c1-30-28-27(23-10-6-7-11-25(23)31-28)24(21-12-14-22(36-2)15-13-21)18-33(30)26(34)19-32(29(30)35)17-16-20-8-4-3-5-9-20/h3-15,24,31H,16-19H2,1-2H3/t24?,30-/m0/s1	C30H29N3O3	479.57	6	1	65.64	6	5	1	-1.5445	4.30479000000001	4.1	6.385	55.5454	142.204	3.6435	437.420701588586
Cond-002195	NPD2296	NPD2296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5997242194	COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(=O)oc2c1OC	InChI=1S/C23H23NO7/c1-13-15-9-10-18(29-2)21(30-3)20(15)31-23(28)16(13)12-19(25)24-17(22(26)27)11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,24,25)(H,26,27)/t17-/m0/s1	C23H23NO7	425.431	8	2	111.16	3	9	0	-0.4106	3.15047	3.11	4.014	61.702	116.3465	3.1042	393.65848909743
Cond-002196	NPD2297	NPD2297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8780716125	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)N1CCCCC1	InChI=1S/C18H22N2O4S/c1-23-13-7-6-11-14(15(13)24-2)17(22)20-12(10-25-18(11)20)16(21)19-8-4-3-5-9-19/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-,18?/m0/s1	C18H22N2O4S	362.443	6	0	84.38	4	4	0	-1.6367	1.9681	2.67	1.277	66.6798	97.643	2.5933	322.039504935379
Cond-002197	NPD2298	NPD2298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9567134171	COc1ccc(cc1OC)C(=O)OCc1cc2ccc(C)cc2[nH]c1=O	InChI=1S/C20H19NO5/c1-12-4-5-13-9-15(19(22)21-16(13)8-12)11-26-20(23)14-6-7-17(24-2)18(10-14)25-3/h4-10H,11H2,1-3H3,(H,21,22)	C20H19NO5	353.369	6	1	73.86	3	6	0	0.0962999999999988	2.71	3	3.607	47.6776	98.4767	2.6071	326.826540519507
Cond-002198	NPD2299	NPD2299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.750278762	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCC(=O)O)c(C)c1c2	InChI=1S/C20H21NO6/c1-9-12(4)26-18-11(3)19-14(7-13(9)18)10(2)15(20(25)27-19)8-16(22)21-6-5-17(23)24/h7H,5-6,8H2,1-4H3,(H,21,22)(H,23,24)	C20H21NO6	371.384	7	2	105.84	3	6	0	1.4035	2.90584	2.89	1.629	66.4994	102.9755	2.7088	338.253225920868
Cond-002199	NPD23	NPD23	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.381604697	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)Oc1ccc(cc1)N(=O)=O	InChI=1S/C34H49NO4S/c1-4-5-6-7-8-9-10-24-12-18-30-29-17-11-25-23-28(19-21-34(25,3)31(29)20-22-33(24,30)2)40-32(36)39-27-15-13-26(14-16-27)35(37)38/h11,13-16,24,28-31H,4-10,12,17-23H2,1-3H3/t24?,28-,29?,30?,31?,33+,34-/m0/s1	C34H49NO4S	567.822	5	0	94.74	5	12	2	1.0707	10.24407	4.54	13.887	123.018	163.002	4.5963	572.78558133948
Cond-002200	NPD230	NPD230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	96.5387098376	CC[N+](CC)(CC(=O)OC1CC2CCC1(C)C2(C)C)CC(=O)OC1CC2CCC1(C)C2(C)C	InChI=1S/C28H48NO4/c1-9-29(10-2,17-23(30)32-21-15-19-11-13-27(21,7)25(19,3)4)18-24(31)33-22-16-20-12-14-28(22,8)26(20,5)6/h19-22H,9-18H2,1-8H3/q+1	C28H48NO4+	462.685	5	0	52.6	4	10	1	1.4827	5.59289000000001	3.99	6.59	125.1224	132.5374	3.8895	485.621172381081
Cond-002201	NPD2300	NPD2300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1171082439	CC(Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C23H29NO6/c1-12-13(2)23(28)30-20-14(3)19(10-9-18(12)20)29-15(4)21(25)24-11-16-5-7-17(8-6-16)22(26)27/h9-10,15-17H,5-8,11H2,1-4H3,(H,24,25)(H,26,27)/t15?,16-,17-	C23H29NO6	415.479	7	2	101.93	3	7	0	1.3602	4.30899000000001	3.22	2.968	85.1216	116.7375	3.1745	403.677638499269
Cond-002202	NPD2301	NPD2301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	54.9309618535	CCCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OC)c(OC(C)C)cc1	InChI=1S/C30H37N3O4/c1-6-7-10-15-32-18-26(34)33-17-22(20-13-14-24(37-19(2)3)25(16-20)36-5)27-21-11-8-9-12-23(21)31-28(27)30(33,4)29(32)35/h8-9,11-14,16,19,22,31H,6-7,10,15,17-18H2,1-5H3/t22?,30-/m0/s1	C30H37N3O4	503.632	7	1	74.87	5	8	1	-2.7147	5.03949000000001	3.99	5.055	82.5415	147.347	3.9398	477.376763092348
Cond-002203	NPD2302	NPD2302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7241721774	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccccc4)c4C(=O)C(=C(N5CC(C)OC(C)C5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C50H60N2O14/c1-24-16-15-17-25(2)48(59)51-38-39(52-22-26(3)63-27(4)23-52)43(57)35-36(42(38)56)45(65-49(60)33-18-13-12-14-19-33)31(8)46-37(35)47(58)50(10,66-46)62-21-20-34(61-11)28(5)44(64-32(9)53)30(7)41(55)29(6)40(24)54/h12-21,24,26-30,34,40-41,44,54-55H,22-23H2,1-11H3,(H,51,59)/b16-15-,21-20-,25-17-/t24-,26?,27?,28+,29+,30-,34-,40-,41-,44+,50-/m0/s1	C50H60N2O14	913.016	16	3	213.53	5	7	2	-1.04669999999999	5.97515000000001	5.2	6.608	194.5929	244.463799999999	6.83540000000002	880.29029280072
Cond-002204	NPD2303	NPD2303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.5598285304	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(CCCC4)c(=O)oc3c2C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C28H32O12/c1-13-21(11-10-19-18-8-6-7-9-20(18)27(33)40-23(13)19)38-28-26(37-17(5)32)25(36-16(4)31)24(35-15(3)30)22(39-28)12-34-14(2)29/h10-11,22,24-26,28H,6-9,12H2,1-5H3/t22-,24+,25+,26-,28-/m1/s1	C28H32O12	560.546	12	0	149.96	4	11	1	-0.514500000000001	3.53059000000001	3.22	3.04	106.8101	140.258	3.9368	514.272785521403
Cond-002205	NPD2304	NPD2304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7453779546	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCC(=O)O	InChI=1S/C22H26N4O5/c1-12(2)10-16(19(29)23-11-17(27)28)26-20(30)22(3)18-14(8-9-25(22)21(26)31)13-6-4-5-7-15(13)24-18/h4-7,12,16,24H,8-11H2,1-3H3,(H,23,29)(H,27,28)/t16-,22-/m0/s1	C22H26N4O5	426.466	9	3	122.81	4	7	0	-1.1548	1.63498	2.89	1.845	76.6488	116.1295	3.1227	384.688790395741
Cond-002206	NPD2305	NPD2305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	75.2632810672	CCc1ccc(cc1)C1CN2C(=O)CN(CCc3ccc(Cl)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C31H30ClN3O2/c1-3-20-8-12-22(13-9-20)25-18-35-27(36)19-34(17-16-21-10-14-23(32)15-11-21)30(37)31(35,2)29-28(25)24-6-4-5-7-26(24)33-29/h4-15,25,33H,3,16-19H2,1-2H3/t25?,31-/m0/s1	C31H30ClN3O2	512.042	5	1	56.41	6	5	1	-0.441500000000001	5.51199000000001	4.21	7.817	64.1957	150.04	3.8481	461.137527284325
Cond-002207	NPD2306	NPD2306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.8219049848	COc1c(cccc1)C1CN2C(=O)CN(CCCOC(C)C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H33N3O4/c1-18(2)35-15-9-14-30-17-24(32)31-16-21(19-10-6-8-13-23(19)34-4)25-20-11-5-7-12-22(20)29-26(25)28(31,3)27(30)33/h5-8,10-13,18,21,29H,9,14-17H2,1-4H3/t21?,28-/m0/s1	C28H33N3O4	475.579	7	1	74.87	5	7	0	-2.1784	3.87719000000001	3.77	3.959	75.5318	137.763	3.658	442.784793840614
Cond-002208	NPD2307	NPD2307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.7547390592	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCc1ccc(F)cc1	InChI=1S/C27H29FN4O3/c1-16(2)14-22(24(33)29-15-17-8-10-18(28)11-9-17)32-25(34)27(3)23-20(12-13-31(27)26(32)35)19-6-4-5-7-21(19)30-23/h4-11,16,22,30H,12-15H2,1-3H3,(H,29,33)/t22-,27-/m0/s1	C27H29FN4O3	476.543	7	2	85.51	5	7	0	-0.221900000000001	3.55018	3.55	4.697	70.4522	132.9747	3.5329	431.126442871859
Cond-002209	NPD2308	NPD2308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.6187690147	CCCCOCCCNC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)CC	InChI=1S/C25H40N4O4/c1-4-6-12-33-13-8-11-26-24(31)23(18(3)5-2)27-25(32)28-15-19-14-20(17-28)21-9-7-10-22(30)29(21)16-19/h7,9-10,18-20,23H,4-6,8,11-17H2,1-3H3,(H,26,31)(H,27,32)/t18?,19-,20+,23+/m1/s1	C25H40N4O4	460.609	8	2	90.98	3	14	1	-3.2226	2.75397	3.33	1.857	120.3806	129.9374	3.7243	469.852352375981
Cond-002210	NPD2309	NPD2309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.2696993099	COC(=O)c1ccc(Oc2coc3cc(OCC(=C)C)ccc3c2=O)cc1	InChI=1S/C21H18O6/c1-13(2)11-25-16-8-9-17-18(10-16)26-12-19(20(17)22)27-15-6-4-14(5-7-15)21(23)24-3/h4-10,12H,1,11H2,2-3H3	C21H18O6	366.364	6	0	71.06	3	7	0	-0.0494000000000003	4.24516	3.11	4.259	50.2211	102.7445	2.6639	339.279532936968
Cond-002211	NPD231	NPD231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.8954437841	C[C@H]1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OS(=O)(=O)c2ccc(C)cc2)O[C@@]21CCC(C)CN2S(=O)(=O)c1ccc(C)cc1	InChI=1S/C41H55NO6S2/c1-26-7-12-32(13-8-26)49(43,44)42-25-28(3)17-22-41(42)29(4)38-37(47-41)24-36-34-16-11-30-23-31(48-50(45,46)33-14-9-27(2)10-15-33)18-20-39(30,5)35(34)19-21-40(36,38)6/h7-15,28-29,31,34-38H,16-25H2,1-6H3/t28?,29-,31?,34?,35?,36?,37?,38?,39-,40-,41+/m0/s1	C41H55NO6S2	722.009	7	0	106.74	8	5	1	0.846200000000001	8.81141	4.98	10.08	142.1413	182.978999999999	5.49470000000001	679.341116376065
Cond-002212	NPD2311	NPD2311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3035147639	Cc1cc(ccc1)n1c([S-])nc(O)c(C2[NH2+]CCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C22H20N4O2S/c1-12-5-4-6-13(11-12)26-21(28)17(20(27)25-22(26)29)19-18-15(9-10-23-19)14-7-2-3-8-16(14)24-18/h2-8,11,19,23-24,27H,9-10H2,1H3,(H,25,29)	C22H20N4O2S	404.485	6	4	85.3	5	2	0	-0.922000000000001	2.24287	3.11	3.769	44.4223	118.4662	2.9155	348.297758249258
Cond-002213	NPD2313	NPD2313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.2522109564	CCCOC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1	InChI=1S/C20H18O6/c1-3-10-24-20(22)13-4-6-14(7-5-13)26-18-12-25-17-11-15(23-2)8-9-16(17)19(18)21/h4-9,11-12H,3,10H2,1-2H3	C20H18O6	354.353	6	0	71.06	3	7	0	-1.44	4.15287	3	4.574	44.6022	98.4915	2.566	324.620007011902
Cond-002214	NPD2314	NPD2314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	48.4773397428	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(C)c1c2	InChI=1S/C25H29NO6/c1-12-15(4)31-22-14(3)23-19(9-18(12)22)13(2)20(25(30)32-23)10-21(27)26-11-16-5-7-17(8-6-16)24(28)29/h9,16-17H,5-8,10-11H2,1-4H3,(H,26,27)(H,28,29)/t16?,17-	C25H29NO6	439.501	7	2	105.84	4	6	0	1.9403	4.13943000000001	3.44	2.953	86.1818	122.7445	3.3047	412.376690349402
Cond-002215	NPD2315	NPD2315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.5980898548	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccccc1Cl	InChI=1S/C28H24ClN3O2/c1-3-17-12-14-18(15-13-17)20-16-31-27(34)32(23-11-7-5-9-21(23)29)26(33)28(31,2)25-24(20)19-8-4-6-10-22(19)30-25/h4-15,20,30H,3,16H2,1-2H3/t20?,28-/m0/s1	C28H24ClN3O2	469.962	5	1	56.41	6	3	1	0.0115000000000001	5.95848000000001	3.88	7.854	50.4708	137.666	3.42540000000001	409.249573406725
Cond-002216	NPD2316	NPD2316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.5884863475	CCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N3CCC4(O)CCCCC4C3c3ccc(Cl)cc3)ccc12	InChI=1S/C32H38ClNO5/c1-4-5-8-23-19-28(35)39-30-20(2)27(15-14-25(23)30)38-21(3)31(36)34-18-17-32(37)16-7-6-9-26(32)29(34)22-10-12-24(33)13-11-22/h10-15,19,21,26,29,37H,4-9,16-18H2,1-3H3	C32H38ClNO5	552.101	6	1	76.07	5	8	1	-1.3392	7.28919000000001	4.21	7.21	94.7211	156.5308	4.2031	524.876506398742
Cond-002217	NPD2318	NPD2318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.602052764	CCOC(=O)C1=C(N)Oc2c(c(=O)oc(C)c2)C21C(=O)N1c3c(cccc23)C(C)CC1(C)C	InChI=1S/C25H26N2O6/c1-6-31-21(28)18-20(26)33-16-10-13(3)32-22(29)17(16)25(18)15-9-7-8-14-12(2)11-24(4,5)27(19(14)15)23(25)30/h7-10,12H,6,11,26H2,1-5H3	C25H26N2O6	450.484	8	2	108.16	5	3	0	-0.3808	3.57465000000001	3.33	4.37	96.5901	121.3804	3.2529	419.280533155969
Cond-002218	NPD2319	NPD2319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.5972646588	COc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2ccc(cc2)N(=O)=O)c1	InChI=1S/C25H19NO7/c1-14-23-21(27)12-18(16-6-10-20(31-3)11-7-16)13-22(24(23)15(2)32-14)33-25(28)17-4-8-19(9-5-17)26(29)30/h4-13H,1-3H3	C25H19NO7	445.421	8	0	108.88	4	6	1	1.1648	4.17301	3.33	5.543	54.5973	122.9785	3.1484	397.084623545963
Cond-002219	NPD232	NPD232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0635476607	COc1ccc(CN(CCC(C2CCOC(C)(C)C2)c2ccccc2)C(=O)C)cc1OC	InChI=1S/C27H37NO4/c1-20(29)28(19-21-11-12-25(30-4)26(17-21)31-5)15-13-24(22-9-7-6-8-10-22)23-14-16-32-27(2,3)18-23/h6-12,17,23-24H,13-16,18-19H2,1-5H3	C27H37NO4	439.587	5	0	48	3	10	1	-1.1077	5.32579000000001	3.88	6.795	74.0855	129.679	3.6207	444.381123601614
Cond-002220	NPD2320	NPD2320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5024278425	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)C5CC[C@@]34C)C2C1	InChI=1S/C31H45BrO4/c1-26(2)22-9-10-31(7)23(29(22,5)17-20(32)24(26)34)21(33)15-18-19-16-28(4,25(35)36-8)12-11-27(19,3)13-14-30(18,31)6/h15,19-20,22-23H,9-14,16-17H2,1-8H3/t19?,20-,22?,23?,27+,28-,29-,30+,31+/m0/s1	C31H45BrO4	561.591	4	0	60.44	5	2	1	3.2007	7.24268000000001	4.32	7.074	147.4432	147.523	4.1713	526.848379575281
Cond-002221	NPD2321	NPD2321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.140743842	COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C	InChI=1S/C31H41NO10/c1-29-10-8-18(33)12-17(29)4-5-20-21-9-11-31(40,30(21,2)14-23(35)27(20)29)24(36)16-42-26(38)7-6-25(37)32-15-19(34)13-22(32)28(39)41-3/h12,19-22,27,34,40H,4-11,13-16H2,1-3H3/t19?,20?,21?,22?,27?,29-,30-,31-/m0/s1	C31H41NO10	587.658	11	2	164.58	5	10	1	-2.1417	1.61578	3.66	-0.965	144.6472	148.3636	4.3193	563.393504906846
Cond-002222	NPD2322	NPD2322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.3574348936	CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H25NO6S/c1-10-13(4)28-19-12(3)20-15(8-14(10)19)11(2)16(22(27)29-20)9-18(24)23-17(21(25)26)6-7-30-5/h8,17H,6-7,9H2,1-5H3,(H,23,24)(H,25,26)/t17-/m0/s1	C22H25NO6S	431.502	7	2	131.14	3	8	0	1.6165	3.45473	3	2.968	81.6748	119.2165	3.1541	391.354219230202
Cond-002223	NPD2323	NPD2323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9071494893	O=c1cccc2C3CC(CN(C3)S(=O)(=O)c3ccc4OCCOCCOc5ccc(cc5OCCOCCOc4c3)S(=O)(=O)N3CC4CC(C3)c3cccc(=O)n3C4)Cn12	InChI=1S/C42H48N4O12S2/c47-41-5-1-3-35-31-19-29(25-45(35)41)23-43(27-31)59(49,50)33-7-9-37-39(21-33)57-17-13-54-14-18-58-40-22-34(8-10-38(40)56-16-12-53-11-15-55-37)60(51,52)44-24-30-20-32(28-44)36-4-2-6-42(48)46(36)26-30/h1-10,21-22,29-32H,11-20,23-28H2	C42H48N4O12S2	864.98	16	0	187.52	9	4	1	-4.2402	4.20032000000001	4.1	0.292	173.5732	211.653999999999	5.96360000000001	756.829989624999
Cond-002224	NPD2324	NPD2324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3549361661	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Br)cc1)C(=O)CN(C1CCCC1)C2=O	InChI=1S/C26H26BrN3O2/c1-26-24-23(19-8-4-5-9-21(19)28-24)20(16-10-12-17(27)13-11-16)14-30(26)22(31)15-29(25(26)32)18-6-2-3-7-18/h4-5,8-13,18,20,28H,2-3,6-7,14-15H2,1H3/t20?,26-/m0/s1	C26H26BrN3O2	492.408	5	1	56.41	6	2	0	-2.0735	4.75859000000001	3.66	4.834	62.709	130.595	3.3252	397.539531464525
Cond-002225	NPD2325	NPD2325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	44.8538493207	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NCCC5=CCCCC5)C(=O)[C@]34C)c2c1	InChI=1S/C26H32N4O4/c1-16(23(31)27-13-11-17-7-5-4-6-8-17)30-24(32)26(2)22-19(12-14-29(26)25(30)33)20-15-18(34-3)9-10-21(20)28-22/h7,9-10,15-16,28H,4-6,8,11-14H2,1-3H3,(H,27,31)/t16-,26-/m0/s1	C26H32N4O4	464.557	8	2	94.74	5	7	0	-1.2608	3.34947000000001	3.44	2.531	92.7653	132.1627	3.519	432.726043497847
Cond-002226	NPD2326	NPD2326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.617822457	CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C23H25NO6S/c1-6-19(24-31(27,28)17-9-7-13(2)8-10-17)23(26)29-20-12-11-18-14(3)15(4)22(25)30-21(18)16(20)5/h7-12,19,24H,6H2,1-5H3	C23H25NO6S	443.513	7	1	107.15	3	7	0	1.1321	4.7389	3.11	4.777	65.7449	116.3677	3.252	406.013745155269
Cond-002227	NPD2327	NPD2327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.0146938573	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c1C)c2	InChI=1S/C27H24N2O6/c1-14-13-34-23-11-24-20(10-19(14)23)15(2)17(27(33)35-24)7-8-25(30)29-22(26(31)32)9-16-12-28-21-6-4-3-5-18(16)21/h3-6,10-13,22,28H,7-9H2,1-2H3,(H,29,30)(H,31,32)/t22-/m0/s1	C27H24N2O6	472.489	8	3	121.63	5	8	0	-0.1771	4.70218000000001	3.55	3.421	62.357	134.6015	3.4057	413.263126305302
Cond-002228	NPD2328	NPD2328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.8102438903	COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(CC2)C(=O)[C@@H](N)Cc2ccccc2)C(C)C)cc1	InChI=1S/C28H38N4O4/c1-19(2)25(27(34)30-18-21-9-11-23(36-3)12-10-21)31-26(33)22-13-15-32(16-14-22)28(35)24(29)17-20-7-5-4-6-8-20/h4-12,19,22,24-25H,13-18,29H2,1-3H3,(H,30,34)(H,31,33)/t24-,25-/m0/s1	C28H38N4O4	494.626	8	4	113.76	3	13	1	-3.0709	2.15519	3.66	4.429	83.2226	141.5218	3.975	489.394471450381
Cond-002229	NPD2329	NPD2329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.116682412	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccccc4)c4C(=O)C(=C(Nc5ccc(OC)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C51H56N2O14/c1-25-15-14-16-26(2)49(60)53-40-39(52-33-19-21-34(62-9)22-20-33)43(57)36-37(44(40)58)46(66-50(61)32-17-12-11-13-18-32)30(6)47-38(36)48(59)51(8,67-47)64-24-23-35(63-10)27(3)45(65-31(7)54)29(5)42(56)28(4)41(25)55/h11-25,27-29,35,41-42,45,52,55-56H,1-10H3,(H,53,60)/b15-14-,24-23-,26-16-/t25-,27+,28+,29-,35-,41-,42-,45+,51-/m0/s1	C51H56N2O14	920.995	16	4	222.32	5	9	2	-1.403	7.58674	5.31	7.722	172.674	249.741499999999	6.84730000000002	878.776901324187
Cond-002230	NPD233	NPD233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4560673413	COc1cc(OC)c(cc1)C1=Cc2c(cc(OC)c(OC)c2)C(O1)C(Cl)(Cl)Cl	InChI=1S/C20H19Cl3O5/c1-24-12-5-6-13(15(9-12)25-2)16-7-11-8-17(26-3)18(27-4)10-14(11)19(28-16)20(21,22)23/h5-10,19H,1-4H3	C20H19Cl3O5	445.721	5	0	46.15	3	6	1	1.2975	5.58339	2.78	5.175	64.8655	110.774	2.9605	366.735901024241
Cond-002231	NPD2330	NPD2330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.257430377	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(Cc3cc(OC)ccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C34H37N3O5/c1-5-16-42-28-15-14-23(18-29(28)41-6-2)26-20-37-30(38)21-36(19-22-10-9-11-24(17-22)40-4)33(39)34(37,3)32-31(26)25-12-7-8-13-27(25)35-32/h7-15,17-18,26,35H,5-6,16,19-21H2,1-4H3/t26?,34-/m0/s1	C34H37N3O5	567.675	8	1	84.1	6	9	1	-1.9807	5.11029000000001	4.32	5.288	77.8448	163.536	4.3245	524.185093493175
Cond-002232	NPD2331	NPD2331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.9481874272	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(cc(=O)oc3c2C)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C30H30O12/c1-15-23(12-11-21-22(13-25(35)42-26(15)21)20-9-7-6-8-10-20)40-30-29(39-19(5)34)28(38-18(4)33)27(37-17(3)32)24(41-30)14-36-16(2)31/h6-13,24,27-30H,14H2,1-5H3/t24-,27-,28+,29-,30-/m1/s1	C30H30O12	582.552	12	0	149.96	4	12	2	0.0256000000000005	3.63469000000001	3.44	5.439	92.4011	148.391	4.08960000000001	530.055378670736
Cond-002233	NPD2332	NPD2332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.5103699482	CCCC(NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-6-7-17(21(25)26)23-18(24)9-16-11(3)15-8-14-10(2)13(5)28-19(14)12(4)20(15)29-22(16)27/h8,17H,6-7,9H2,1-5H3,(H,23,24)(H,25,26)	C22H25NO6	399.437	7	2	105.84	3	7	0	0.675299999999999	3.50173	3.11	2.924	72.2827	111.1255	2.9906	372.845195172602
Cond-002234	NPD2333	NPD2333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4390125612	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)N3CCC(CC3)C(=O)N)c(C)c1c2	InChI=1S/C22H24N2O5/c1-11-13(3)28-18-10-19-16(8-15(11)18)12(2)17(22(27)29-19)9-20(25)24-6-4-14(5-7-24)21(23)26/h8,10,14H,4-7,9H2,1-3H3,(H2,23,26)	C22H24N2O5	396.436	7	2	102.84	4	4	0	-0.377400000000001	2.82811	3.11	1.307	70.8273	111.5094	2.9231	362.695269979408
Cond-002235	NPD2334	NPD2334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1838270098	COC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(=O)n(Cc1cc3c(OCO3)cc1)c(C)c2	InChI=1S/C25H22N2O6/c1-14-10-19-21(24(28)27(14)12-15-8-9-17-18(11-15)32-13-31-17)20(16-6-4-3-5-7-16)22(23(26)33-19)25(29)30-2/h3-11,20H,12-13,26H2,1-2H3	C25H22N2O6	446.452	8	2	100.32	5	5	1	-1.1853	3.24645	3.33	5.044	72.0472	121.1334	3.1669	403.107615754369
Cond-002236	NPD2335	NPD2335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8483578599	CCN(CC)Cc1c(O)c(C)c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2c1	InChI=1S/C24H23NO5/c1-4-25(5-2)13-16-11-18-17(12-21(26)30-23(18)14(3)22(16)27)19-10-15-8-6-7-9-20(15)29-24(19)28/h6-12,27H,4-5,13H2,1-3H3	C24H23NO5	405.443	6	1	76.07	4	5	0	1.1674	4.02208000000001	3.44	4.199	66.3632	117.147	3.0191	381.017561621374
Cond-002237	NPD2336	NPD2336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4548409337	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C42H55N3O9/c1-40-18-15-28(46)23-27(40)11-12-30-31(40)16-19-41(2)32(30)17-20-42(41,53)35(47)25-54-38(50)14-13-36(48)43-21-7-3-4-10-37(49)45-34(39(51)52)22-26-24-44-33-9-6-5-8-29(26)33/h5-6,8-9,23-24,30-32,34,44,53H,3-4,7,10-22,25H2,1-2H3,(H,43,48)(H,45,49)(H,51,52)/t30?,31?,32?,34?,40-,41-,42-/m0/s1	C42H55N3O9	745.901	12	5	191.96	6	19	2	-2.7586	5.19527000000001	4.76	4.074	159.2682	204.352999999999	5.72950000000001	722.150336003148
Cond-002238	NPD2337	NPD2337	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.8711043571	COc1ccc(CCN2C(=O)N=C([O-])C3(C[N+](C)c4c(C3)cc(C)cc4)C2=O)cc1OC	InChI=1S/C24H27N3O5/c1-15-5-7-18-17(11-15)13-24(14-26(18)2)21(28)25-23(30)27(22(24)29)10-9-16-6-8-19(31-3)20(12-16)32-4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,25,28,30)	C24H26N3O5	436.48	8	1	95.7	4	5	0	-2.0835	-0.120099999999997	3.22	3.068	65.3108	119.0957	3.2617	405.647540738508
Cond-002239	NPD2338	NPD2338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.5366253218	COc1cccc(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2ccc(C)cc2)c1	InChI=1S/C30H29N3O3/c1-19-11-13-21(14-12-19)24-17-33-26(34)18-32(16-20-7-6-8-22(15-20)36-3)29(35)30(33,2)28-27(24)23-9-4-5-10-25(23)31-28/h4-15,24,31H,16-18H2,1-3H3/t24?,30-/m0/s1	C30H29N3O3	479.57	6	1	65.64	6	4	1	-1.1581	3.95081000000001	4.1	6.35	56.5957	140.221	3.6435	437.420701588586
Cond-002240	NPD2339	NPD2339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.2696993099	CCCC(=O)N1CCC2(O)CCCCC2C1c1c(OC)cc(OC)cc1	InChI=1S/C21H31NO4/c1-4-7-19(23)22-13-12-21(24)11-6-5-8-17(21)20(22)16-10-9-15(25-2)14-18(16)26-3/h9-10,14,17,20,24H,4-8,11-13H2,1-3H3	C21H31NO4	361.475	5	1	59	3	6	0	-2.3832	4.14689000000001	3.22	3.233	68.8515	105.2248	2.9043	359.414591948813
Cond-002241	NPD234	NPD234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.901814075	CC(=O)Oc1c(C)c2c(cc1)c(=O)c(Oc1ccc(I)cc1)c(C)o2	InChI=1S/C19H15IO5/c1-10-16(24-12(3)21)9-8-15-17(22)19(11(2)23-18(10)15)25-14-6-4-13(20)5-7-14/h4-9H,1-3H3	C19H15IO5	450.224	5	0	61.83	3	4	1	1.4226	5.84728	2.89	5.438	54.4551	108.2585	2.6246	323.810597355739
Cond-002242	NPD2340	NPD2340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.4484940584	O=C1C2C(Cc3ccccc3)NC3(C2C(=O)N1c1ccccc1)C(=O)Nc1ccccc31	InChI=1S/C26H21N3O3/c30-23-21-20(15-16-9-3-1-4-10-16)28-26(18-13-7-8-14-19(18)27-25(26)32)22(21)24(31)29(23)17-11-5-2-6-12-17/h1-14,20-22,28H,15H2,(H,27,32)	C26H21N3O3	423.463	6	2	78.51	6	3	1	-2.3758	3.92898	3.66	5.997	40.934	123.1324	3.07990000000001	379.136763085119
Cond-002243	NPD2342	NPD2342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.945805353	CC(=O)OC[C@H]1O[C@@H](OC2=C(O)C(=O)c3c(cccc3)C2=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C36H40O21/c1-14(37)47-12-23-28(49-16(3)39)31(50-17(4)40)33(52-19(6)42)35(54-23)56-29-24(13-48-15(2)38)55-36(34(53-20(7)43)32(29)51-18(5)41)57-30-26(45)22-11-9-8-10-21(22)25(44)27(30)46/h8-11,23-24,28-29,31-36,46H,12-13H2,1-7H3/t23-,24-,28-,29-,31+,32+,33-,34-,35-,36+/m1/s1	C36H40O21	808.69	21	1	275.39	4	20	2	-2.3701	0.631580000000003	3.11	2.419	153.3955	182.0468	5.42030000000001	721.206868030182
Cond-002244	NPD2343	NPD2343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.9289005286	COc1cc(cc(OC)c1OC)C1C2CCCCC2(O)CCN1CC(=O)NCc1ccccc1	InChI=1S/C27H36N2O5/c1-32-22-15-20(16-23(33-2)26(22)34-3)25-21-11-7-8-12-27(21,31)13-14-29(25)18-24(30)28-17-19-9-5-4-6-10-19/h4-6,9-10,15-16,21,25,31H,7-8,11-14,17-18H2,1-3H3,(H,28,30)	C27H36N2O5	468.585	7	2	80.26	4	9	0	-2.4101	3.25019000000001	3.66	4.258	74.98	131.9345	3.6706	451.811651809542
Cond-002245	NPD2344	NPD2344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3342939481	CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C21H20N2O5/c1-2-27-14-9-7-13(8-10-14)22-19(25)17-11-12-18(24)23(17)20-15-5-3-4-6-16(15)21(26)28-20/h3-10,17,20H,2,11-12H2,1H3,(H,22,25)/t17-,20?/m0/s1	C21H20N2O5	380.394	7	1	84.94	4	6	0	-1.4402	3.16609	3	3.635	46.7454	103.4597	2.7392	342.762826652741
Cond-002246	NPD2345	NPD2345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.9134052465	CC(=O)Oc1ccc(cc1)N1C(=O)C2C(CCC(=O)N)NC3(C2C1=O)C(=O)Nc1ccccc31	InChI=1S/C24H22N4O6/c1-12(29)34-14-8-6-13(7-9-14)28-21(31)19-17(10-11-18(25)30)27-24(20(19)22(28)32)15-4-2-3-5-16(15)26-23(24)33/h2-9,17,19-20,27H,10-11H2,1H3,(H2,25,30)(H,26,33)	C24H22N4O6	462.455	10	4	147.9	5	6	0	-3.4074	1.85078	3	1.045	62.687	124.3608	3.2256	407.805151544835
Cond-002247	NPD2347	NPD2347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4775573481	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)c4ccc(OC)cc4)c4C(=O)C(=C(Nc5ccc(C)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C52H58N2O14/c1-25-15-19-34(20-16-25)53-40-41-45(59)38-37(44(40)58)39-48(31(7)47(38)67-51(62)33-17-21-35(63-10)22-18-33)68-52(9,49(39)60)65-24-23-36(64-11)28(4)46(66-32(8)55)30(6)43(57)29(5)42(56)26(2)13-12-14-27(3)50(61)54-41/h12-24,26,28-30,36,42-43,46,53,56-57H,1-11H3,(H,54,61)/b13-12-,24-23-,27-14-/t26-,28+,29+,30-,36-,42-,43-,46+,52-/m0/s1	C52H58N2O14	935.022	16	4	222.32	5	9	2	-0.761	7.61476	5.42	7.623	178.1761	253.381499999999	6.98820000000002	896.072885950054
Cond-002248	NPD2348	NPD2348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1012584281	CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C24H25NO6/c1-5-19(25-24(28)29-13-17-9-7-6-8-10-17)23(27)30-20-12-11-18-14(2)15(3)22(26)31-21(18)16(20)4/h6-12,19H,5,13H2,1-4H3,(H,25,28)	C24H25NO6	423.458	7	1	90.93	3	9	1	1.3542	3.85141000000001	3.33	5.762	62.6062	117.8867	3.1864	402.164247022736
Cond-002249	NPD2349	NPD2349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.0559192977	COc1cc(cc(OC)c1OC)C(=O)OCc1cc2cc(C)ccc2[nH]c1=O	InChI=1S/C21H21NO6/c1-12-5-6-16-13(7-12)8-15(20(23)22-16)11-28-21(24)14-9-17(25-2)19(27-4)18(10-14)26-3/h5-10H,11H2,1-4H3,(H,22,23)	C21H21NO6	383.395	7	1	83.09	3	7	0	0.0444999999999985	2.7186	3	3.163	54.9934	105.0287	2.8067	352.912751845935
Cond-002250	NPD235	NPD235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7852713918	CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)c1c(OC(=O)C)c2c(oc(=O)cc2)cc1OC(=O)C	InChI=1S/C27H28O15/c1-11(28)35-10-20-24(38-14(4)31)26(39-15(5)32)27(40-16(6)33)25(42-20)22-19(36-12(2)29)9-18-17(7-8-21(34)41-18)23(22)37-13(3)30/h7-9,20,24-27H,10H2,1-6H3/t20-,24-,25+,26+,27+/m1/s1	C27H28O15	592.502	15	0	193.33	3	14	2	-0.611700000000002	2.03387	2.78	1.647	110.1526	140.429	3.9946	530.431022296419
Cond-002251	NPD2350	NPD2350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9342169379	COc1cc(ccc1)N1C(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1c(OC)cccc1	InChI=1S/C28H25N3O4/c1-28-25-24(20-12-4-6-13-22(20)29-25)21(19-11-5-7-14-23(19)35-3)16-30(28)27(33)31(26(28)32)17-9-8-10-18(15-17)34-2/h4-15,21,29H,16H2,1-3H3/t21?,28-/m0/s1	C28H25N3O4	467.516	7	1	74.87	6	4	1	-1.1433	4.75988000000001	3.77	5.134	49.1363	136.382	3.42040000000001	411.618959037414
Cond-002252	NPD2351	NPD2351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2214054475	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)cc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C33H28ClNO6S/c1-21-13-15-25(16-14-21)42(38,39)35-29(18-24-11-7-4-8-12-24)33(37)41-31-20-30-26(19-28(31)34)22(2)27(32(36)40-30)17-23-9-5-3-6-10-23/h3-16,19-20,29,35H,17-18H2,1-2H3	C33H28ClNO6S	602.097	7	1	107.15	5	10	1	1.3477	6.86428000000001	4.1	11.039	61.0124	159.7377	4.30820000000001	531.85298957797
Cond-002253	NPD2352	NPD2352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5736030493	COc1c(OC)c(OC)c(/C=C/2\Oc3cc(OCc4ccc(C=C)cc4)ccc3C2=O)cc1	InChI=1S/C27H24O6/c1-5-17-6-8-18(9-7-17)16-32-20-11-12-21-23(15-20)33-24(25(21)28)14-19-10-13-22(29-2)27(31-4)26(19)30-3/h5-15H,1,16H2,2-4H3/b24-14-	C27H24O6	444.476	6	0	63.22	4	8	1	0.0126999999999998	5.31486	3.77	6.813	55.0373	128.543	3.3147	414.526064589769
Cond-002254	NPD2353	NPD2353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.746118257	COc1c(cccc1)c1c(C)oc2c(C[NH+]3CCCC3)c([O-])ccc2c1=O	InChI=1S/C22H23NO4/c1-14-20(15-7-3-4-8-19(15)26-2)21(25)16-9-10-18(24)17(22(16)27-14)13-23-11-5-6-12-23/h3-4,7-10,24H,5-6,11-13H2,1-2H3	C22H23NO4	365.422	5	1	63.03	4	4	0	-2.984	2.72498	3.33	3.33	48.3994	104.7817	2.7646	342.90828307068
Cond-002255	NPD2354	NPD2354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.4309785167	C[C@H](NC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H23NO6/c1-10-14-8-16-13-6-4-5-7-17(13)28-20(16)11(2)19(14)29-22(27)15(10)9-18(24)23-12(3)21(25)26/h8,12H,4-7,9H2,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1	C22H23NO6	397.421	7	2	105.84	4	5	0	-0.0881999999999987	3.48958	3.11	2.584	70.3653	110.9875	2.882	360.488736471802
Cond-002256	NPD2355	NPD2355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9132638144	COc1c(cccc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(cc1)C(C)C	InChI=1S/C30H29N3O3/c1-18(2)19-13-15-20(16-14-19)33-28(34)30(3)27-26(22-10-5-7-11-24(22)31-27)23(17-32(30)29(33)35)21-9-6-8-12-25(21)36-4/h5-16,18,23,31H,17H2,1-4H3/t23?,30-/m0/s1	C30H29N3O3	479.57	6	1	65.64	6	4	1	-0.5186	5.87468000000001	4.1	7.189	56.0883	143.919	3.64350000000001	437.420701588586
Cond-002257	NPD2356	NPD2356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.8279567243	COc1c(cccc1)/N=c\1/[nH]c(cs1)C1(C)CC2(CC(C)(C)OC2=O)C(=O)O1	InChI=1S/C20H22N2O5S/c1-18(2)10-20(15(23)26-18)11-19(3,27-16(20)24)14-9-28-17(22-14)21-12-7-5-6-8-13(12)25-4/h5-9H,10-11H2,1-4H3,(H,21,22)	C20H22N2O5S	402.464	7	1	111.52	4	3	0	0.919699999999999	3.33577	2.78	4.028	79.2136	109.0217	2.8478	360.148783486074
Cond-002258	NPD2357	NPD2357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.2218180912	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCC(c3ccccc3)c3ccccc3)c(=O)cc12)NC(=O)C	InChI=1S/C36H38N2O5/c1-23(39)38-30-17-15-26-21-33(41-2)35(42-3)36(43-4)34(26)28-16-18-31(32(40)22-29(28)30)37-20-19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-14,16,18,21-22,27,30H,15,17,19-20H2,1-4H3,(H,37,40)(H,38,39)/t30-/m0/s1	C36H38N2O5	578.697	7	2	85.89	5	11	2	-1.6891	5.63836000000001	4.65	9.115	93.8059	169.2344	4.5291	565.763843835941
Cond-002259	NPD2358	NPD2358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4404870474	OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O	InChI=1S/2C6H12O6.C6H12O5.2C5H10O5/c2*7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3(7)4(8)5(9)6(10)11-2;2*6-2-1-10-5(9)4(8)3(2)7/h2*2-11H,1H2;2-10H,1H3;2*2-9H,1H2	C28H56O27	824.728	6	5	110.38	1	1	0	-2.5134	-3.2214	1.46	-1.697	35.9234	35.986	1.1976	152.717267958567
Cond-002260	NPD2359	NPD2359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.799356464	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Br)cc1)C(=O)CN(Cc1c(F)cccc1Cl)C2=O	InChI=1S/C28H22BrClFN3O2/c1-28-26-25(18-5-2-3-8-23(18)32-26)19(16-9-11-17(29)12-10-16)14-34(28)24(35)15-33(27(28)36)13-20-21(30)6-4-7-22(20)31/h2-12,19,32H,13-15H2,1H3/t19?,28-/m0/s1	C28H22BrClFN3O2	566.849	5	1	56.41	6	3	1	0.3645	5.46919000000001	3.66	5.905	58.865	142.697	3.6181	434.600751234598
Cond-002261	NPD236	NPD236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4752475248	CCCc1cc2c(oc(C)c(c2=O)c2cc3c(OCO3)cc2)cc1OC	InChI=1S/C21H20O5/c1-4-5-13-8-15-18(10-17(13)23-3)26-12(2)20(21(15)22)14-6-7-16-19(9-14)25-11-24-16/h6-10H,4-5,11H2,1-3H3	C21H20O5	352.38	5	0	53.99	4	4	0	-0.681800000000002	5.16996	3.22	4.482	49.5874	103.188	2.5826	323.405764937207
Cond-002262	NPD2360	NPD2360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0025743038	COc1ccc2c(C)c(CC(=O)N3CCC(CC3)C(=O)N)c(=O)oc2c1C	InChI=1S/C20H24N2O5/c1-11-14-4-5-16(26-3)12(2)18(14)27-20(25)15(11)10-17(23)22-8-6-13(7-9-22)19(21)24/h4-5,13H,6-10H2,1-3H3,(H2,21,24)	C20H24N2O5	372.415	7	2	98.93	3	5	0	-0.714599999999999	2.63719	2.89	0.727	70.7915	104.5474	2.7929	353.996218129274
Cond-002263	NPD2361	NPD2361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.5121333203	CCCCOCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cccc(OC)c1OCC	InChI=1S/C31H39N3O5/c1-5-7-17-38-18-11-16-33-20-26(35)34-19-23(21-13-10-15-25(37-4)28(21)39-6-2)27-22-12-8-9-14-24(22)32-29(27)31(34,3)30(33)36/h8-10,12-15,23,32H,5-7,11,16-20H2,1-4H3/t23?,31-/m0/s1	C31H39N3O5	533.658	8	1	84.1	5	11	1	-2.5451	4.66759000000001	3.99	4.194	88.3802	153.571	4.1394	503.462974418775
Cond-002264	NPD2363	NPD2363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1507137842	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C24H29N5O6/c1-12(2)10-17(20(31)27-16(21(32)33)11-18(25)30)29-22(34)24(3)19-14(8-9-28(24)23(29)35)13-6-4-5-7-15(13)26-19/h4-7,12,16-17,26H,8-11H2,1-3H3,(H2,25,30)(H,27,31)(H,32,33)/t16-,17-,24-/m0/s1	C24H29N5O6	483.517	11	5	165.9	4	9	1	-1.7101	0.878980000000001	2.89	0.76	87.4003	128.8619	3.52	436.431287855403
Cond-002265	NPD2364	NPD2364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8307954223	C[C@]12CC(O)C3C(CCC4=C/C(=N\OCC(=O)NCC(CC(=O)O)c5ccccc5)/CC[C@]34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C33H44N2O8/c1-31-12-10-23(35-43-19-28(39)34-17-21(14-29(40)41)20-6-4-3-5-7-20)15-22(31)8-9-24-25-11-13-33(42,27(38)18-36)32(25,2)16-26(37)30(24)31/h3-7,15,21,24-26,30,36-37,42H,8-14,16-19H2,1-2H3,(H,34,39)(H,40,41)/b35-23-/t21?,24?,25?,26?,30?,31-,32-,33-/m0/s1	C33H44N2O8	596.711	10	5	165.75	5	11	1	-2.4536	3.26957000000001	3.99	3.665	130.5299	163.0989	4.5405	577.865322264824
Cond-002266	NPD2366	NPD2366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.6175857219	COc1ccc(cc1)c1coc2c(C[NH+]3CCC(C)CC3)c([O-])ccc2c1=O	InChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)13-19-21(25)8-7-18-22(26)20(14-28-23(18)19)16-3-5-17(27-2)6-4-16/h3-8,14-15,25H,9-13H2,1-2H3	C23H25NO4	379.449	5	1	63.03	4	4	0	-3.3643	2.20148	3.44	3.749	51.1162	108.1467	2.9055	360.204267696547
Cond-002267	NPD2367	NPD2367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3301822434	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(CCc3ccc(F)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H34FN3O4/c1-4-17-41-27-14-11-22(18-28(27)40-3)25-19-37-29(38)20-36(16-15-21-9-12-23(34)13-10-21)32(39)33(37,2)31-30(25)24-7-5-6-8-26(24)35-31/h5-14,18,25,35H,4,15-17,19-20H2,1-3H3/t25?,33-/m0/s1	C33H34FN3O4	555.639	7	1	74.87	6	8	1	-1.444	5.23269000000001	4.21	5.626	71.5595	157.948	4.1426	504.166441017054
Cond-002268	NPD2368	NPD2368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.279843444	CCCCCCCCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C44H78O3/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-34-46-42(45)47-38-30-32-44(4)37(35-38)26-28-39-40-29-27-36(25-23-21-12-10-8-6-2)43(40,3)33-31-41(39)44/h26,36,38-41H,5-25,27-35H2,1-4H3/t36?,38-,39?,40?,41?,43+,44-/m0/s1	C44H78O3	655.088	3	0	35.53	4	25	2	-4.11670000000001	13.84328	5.97	19.729	164.058	202.302999999999	5.96390000000001	741.251710135815
Cond-002269	NPD2369	NPD2369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.789213668	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(Cc1cccs1)C2=O)c1ccc(cc1)N(=O)=O	InChI=1S/C25H20N4O4S/c30-22-14-27(13-17-4-3-11-34-17)25(31)21-12-19-18-5-1-2-6-20(18)26-23(19)24(28(21)22)15-7-9-16(10-8-15)29(32)33/h1-11,21,24,26H,12-14H2/t21-,24?/m0/s1	C25H20N4O4S	472.516	8	1	127.79	6	4	0	-0.7746	2.85388000000001	3.22	4.679	50.7268	128.259	3.261	389.23678942558
Cond-002270	NPD2370	NPD2370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.7020585049	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)O	InChI=1S/C31H45NO8/c1-29-14-11-21(33)18-20(29)7-8-22-23(29)12-15-30(2)24(22)13-16-31(30,39)25(34)19-40-28(38)10-9-26(35)32-17-5-3-4-6-27(36)37/h18,22-24,39H,3-17,19H2,1-2H3,(H,32,35)(H,36,37)/t22?,23?,24?,29-,30-,31-/m0/s1	C31H45NO8	559.691	9	3	147.07	4	14	1	-1.6087	4.06318000000001	3.88	2.512	140.3385	148.9463	4.3535	560.805968907324
Cond-002271	NPD2371	NPD2371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.349169202	CCc1ccc(cc1)C1CN2C(=O)CN(CCOC)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C26H29N3O3/c1-4-17-9-11-18(12-10-17)20-15-29-22(30)16-28(13-14-32-3)25(31)26(29,2)24-23(20)19-7-5-6-8-21(19)27-24/h5-12,20,27H,4,13-16H2,1-3H3/t20?,26-/m0/s1	C26H29N3O3	431.527	6	1	65.64	5	5	0	-1.4816	3.26229	3.66	4.898	66.1563	126.76	3.3175	399.402597888319
Cond-002272	NPD2372	NPD2372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.115532355	CC(C)c1ccc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)cc1	InChI=1S/C25H30N2O/c1-17(2)20-9-7-19(8-10-20)12-14-25-24(4,5)21-16-18(3)6-11-22(21)27(25)15-13-23(28)26-25/h6-12,14,16-17H,13,15H2,1-5H3,(H,26,28)/b14-12+	C25H30N2O	374.518	3	1	32.34	4	3	1	2.0417	5.44349000000001	3.88	8.212	65.6147	118.1147	3.111	379.422317054764
Cond-002273	NPD2373	NPD2373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8400794516	[O-]c1ccc2oc(=O)c3c(CCCN3C(=O)C[NH+]3CCN(CC3)c3ccccc3)c2c1	InChI=1S/C24H25N3O4/c28-18-8-9-21-20(15-18)19-7-4-10-27(23(19)24(30)31-21)22(29)16-25-11-13-26(14-12-25)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2	C24H25N3O4	419.473	7	1	77.35	5	4	0	-3.4947	1.49686	3.33	2.634	60.9574	118.2747	3.0944	384.500855337147
Cond-002274	NPD2374	NPD2374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.1245360106	COc1c(OC)cc(CCN2C(=O)C3C4CCCN4C4(C3C2=O)C(=O)Nc2c4cccc2)cc1	InChI=1S/C26H27N3O5/c1-33-19-10-9-15(14-20(19)34-2)11-13-28-23(30)21-18-8-5-12-29(18)26(22(21)24(28)31)16-6-3-4-7-17(16)27-25(26)32/h3-4,6-7,9-10,14,18,21-22H,5,8,11-13H2,1-2H3,(H,27,32)	C26H27N3O5	461.51	8	1	88.18	6	5	0	-2.4054	2.72069	3.44	1.827	69.9976	126.4017	3.3263	415.526592588641
Cond-002275	NPD2375	NPD2375	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.522239548	Cc1c2oc(=O)c(CC(=O)NCC(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C21H21NO6/c1-10-13-7-15-12-5-3-4-6-16(12)27-20(15)11(2)19(13)28-21(26)14(10)8-17(23)22-9-18(24)25/h7H,3-6,8-9H2,1-2H3,(H,22,23)(H,24,25)	C21H21NO6	383.395	7	2	105.84	4	5	0	-0.184199999999998	3.28379	3	2.058	65.7058	107.4545	2.7411	343.192751845935
Cond-002276	NPD2377	NPD2377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9049800214	COCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Br)cc1	InChI=1S/C25H26BrN3O3/c1-25-23-22(18-6-3-4-7-20(18)27-23)19(16-8-10-17(26)11-9-16)14-29(25)21(30)15-28(24(25)31)12-5-13-32-2/h3-4,6-11,19,27H,5,12-15H2,1-2H3/t19?,25-/m0/s1	C25H26BrN3O3	496.396	6	1	65.64	5	5	0	-1.1877	3.85249	3.44	3.743	67.3165	129.699	3.3516	401.390232240019
Cond-002277	NPD2378	NPD2378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.161834169	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)C4CCCCC4)c4C(=O)C(=C(Nc5ccc(C)cc5)C(=O)c4c3C2=O)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C	InChI=1S/C51H62N2O13/c1-25-19-21-34(22-20-25)52-39-40-44(58)37-36(43(39)57)38-47(31(7)46(37)65-50(61)33-17-12-11-13-18-33)66-51(9,48(38)59)63-24-23-35(62-10)28(4)45(64-32(8)54)30(6)42(56)29(5)41(55)26(2)15-14-16-27(3)49(60)53-40/h14-16,19-24,26,28-30,33,35,41-42,45,52,55-56H,11-13,17-18H2,1-10H3,(H,53,60)/b15-14-,24-23-,27-16-/t26-,28+,29+,30-,35-,41-,42-,45+,51-/m0/s1	C51H62N2O13	911.044	15	4	213.09	5	8	2	-1.2067	7.69208	5.42	7.867	192.1203	246.065499999999	6.91760000000002	888.796050726026
Cond-002278	NPD2379	NPD2379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0923624737	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C35H44N2O6/c1-33-15-11-24(38)19-23(33)7-8-26-27(33)12-16-34(2)28(26)13-17-35(34,42)30(39)21-43-32(41)10-9-31(40)36-18-14-22-20-37-29-6-4-3-5-25(22)29/h3-6,19-20,26-28,37,42H,7-18,21H2,1-2H3,(H,36,40)/t26?,27?,28?,33-,34-,35-/m0/s1	C35H44N2O6	588.734	8	3	125.56	6	11	1	-0.7045	5.06547000000001	4.43	4.185	127.587	166.3185	4.5533	568.983920713835
Cond-002279	NPD238	NPD238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.3762376238	CCc1cc2c(oc(C)c(c2=O)c2cc3c(OCCO3)cc2)cc1OC	InChI=1S/C21H20O5/c1-4-13-9-15-18(11-17(13)23-3)26-12(2)20(21(15)22)14-5-6-16-19(10-14)25-8-7-24-16/h5-6,9-11H,4,7-8H2,1-3H3	C21H20O5	352.38	5	0	53.99	4	3	0	-0.1829	4.82236	3.22	3.776	51.4527	103.438	2.5826	323.405764937207
Cond-002280	NPD2380	NPD2380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9435993447	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(Cc3c(Cl)cc(Cl)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H33Cl2N3O4/c1-4-14-42-27-13-11-20(15-28(27)41-5-2)24-18-38-29(39)19-37(17-21-10-12-22(34)16-25(21)35)32(40)33(38,3)31-30(24)23-8-6-7-9-26(23)36-31/h6-13,15-16,24,36H,4-5,14,17-19H2,1-3H3/t24?,33-/m0/s1	C33H33Cl2N3O4	606.539	7	1	74.87	6	8	1	-0.440300000000001	6.40849000000001	4.1	5.924	81.7602	167.004	4.3697	528.521017707614
Cond-002281	NPD2381	NPD2381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.72395417	COC(=O)[C@@]1(C)CCCC2(C)C(CCc3c(C[N+](C)(C)Cc4ccccc4)occ3)C(=C)CCC12	InChI=1S/C31H44NO3/c1-23-13-16-28-30(2,18-10-19-31(28,3)29(33)34-6)26(23)15-14-25-17-20-35-27(25)22-32(4,5)21-24-11-8-7-9-12-24/h7-9,11-12,17,20,26,28H,1,10,13-16,18-19,21-22H2,2-6H3/q+1/t26?,28?,30?,31-/m0/s1	C31H44NO3+	478.686	4	0	39.44	4	9	1	-0.0916999999999968	6.40258000000001	4.43	8.304	98.4338	144.3124	4.0385	493.73660605412
Cond-002282	NPD2382	NPD2382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.4360541248	COc1cc(/C=C/2\Oc3c(C)c(OCC(=O)N)ccc3C2=O)cc(OC)c1OC	InChI=1S/C21H21NO7/c1-11-14(28-10-18(22)23)6-5-13-19(24)15(29-20(11)13)7-12-8-16(25-2)21(27-4)17(9-12)26-3/h5-9H,10H2,1-4H3,(H2,22,23)/b15-7-	C21H21NO7	399.394	8	2	106.31	3	7	0	-0.901	3.32819	2.89	1.779	57.6835	110.3739	2.8654	361.702978546496
Cond-002283	NPD2383	NPD2383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.0898585376	Fc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCCCC1	InChI=1S/C24H22FN3O/c25-16-12-10-15(11-13-16)22-23-19(18-8-4-5-9-20(18)27-23)14-21(28-22)24(29)26-17-6-2-1-3-7-17/h4-5,8-14,17,27H,1-3,6-7H2,(H,26,29)	C24H22FN3O	387.449	4	2	57.78	5	4	1	-2.0659	5.92997000000001	3.55	6.022	29.5699	119.7527	2.893	339.76127538497
Cond-002284	NPD2384	NPD2384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8395418302	COc1cc(OC)c(cc1)c1cc2ccc(OC(=O)c3ccc4OCOc4c3)cc2oc1=O	InChI=1S/C25H18O8/c1-28-16-6-7-18(22(11-16)29-2)19-9-14-3-5-17(12-21(14)33-25(19)27)32-24(26)15-4-8-20-23(10-15)31-13-30-20/h3-12H,13H2,1-2H3	C25H18O8	446.406	8	0	89.52	5	6	0	-0.316300000000001	5.29045	3.33	4.83	43.7856	124.368	3.0417	385.158090038357
Cond-002285	NPD2385	NPD2385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9929267017	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CSC)C(=O)O)c1cc(Cl)ccc1	InChI=1S/C30H25ClN4O5S/c1-41-15-22(29(38)39)33-27(36)19-10-3-5-12-23(19)35-28(37)24-14-20-18-9-2-4-11-21(18)32-25(20)26(34(24)30(35)40)16-7-6-8-17(31)13-16/h2-13,22,24,26,32H,14-15H2,1H3,(H,33,36)(H,38,39)/t22-,24-,26?/m0/s1	C30H25ClN4O5S	589.061	9	3	148.11	6	8	1	-0.899600000000001	4.64958	3.55	5.719	71.5718	160.532	4.06060000000001	494.445089624308
Cond-002286	NPD2386	NPD2386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.3093845074	CCCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1c(OC)c(OC)ccc1	InChI=1S/C28H33N3O4/c1-5-6-9-15-30-17-23(32)31-16-20(18-12-10-14-22(34-3)25(18)35-4)24-19-11-7-8-13-21(19)29-26(24)28(31,2)27(30)33/h7-8,10-14,20,29H,5-6,9,15-17H2,1-4H3/t20?,28-/m0/s1	C28H33N3O4	475.579	7	1	74.87	5	7	0	-2.6646	4.26089000000001	3.77	4.172	73.0429	138.135	3.658	442.784793840614
Cond-002287	NPD2387	NPD2387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.0068219472	CCOc1c(OC)cccc1C1CN2C(=O)CN(Cc3c(OC)cccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H33N3O5/c1-5-40-29-21(13-10-16-26(29)39-4)23-18-35-27(36)19-34(17-20-11-6-9-15-25(20)38-3)31(37)32(35,2)30-28(23)22-12-7-8-14-24(22)33-30/h6-16,23,33H,5,17-19H2,1-4H3/t23?,32-/m0/s1	C32H33N3O5	539.622	8	1	84.1	6	7	0	-1.6533	4.88559000000001	4.1	4.718	70.019	156.629	4.0427	489.593124241442
Cond-002288	NPD2388	NPD2388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	28.9379935727	[C@@H]12[C@@H](N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1c(C)c(C)ccc1)C(C)C	InChI=1S/C24H25N3O3/c1-12(2)20-18-19(24(26-20)15-9-5-6-10-16(15)25-23(24)30)22(29)27(21(18)28)17-11-7-8-13(3)14(17)4/h5-12,18-20,26H,1-4H3,(H,25,30)/t18-,19-,20-,24-/m0/s1	C24H25N3O3	403.474	6	2	78.51	5	2	0	-0.5813	3.45303	3.44	3.822	61.3406	115.3704	3.0357	375.710628636586
Cond-002289	NPD2389	NPD2389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9072690971	CCCC(NC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O)C(=O)O	InChI=1S/C24H29NO6/c1-7-8-18(22(27)28)25-19(26)10-15-12(2)14-9-16-17(24(4,5)6)11-30-20(16)13(3)21(14)31-23(15)29/h9,11,18H,7-8,10H2,1-6H3,(H,25,26)(H,27,28)	C24H29NO6	427.49	7	2	105.84	3	8	0	1.15	4.76239000000001	3.33	4.11	80.1749	120.1165	3.2724	407.437164424336
Cond-002290	NPD239	NPD239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.7149670896	Cc1cc(O)c(c(=O)o1)C1=Nc2c(SC(C1)c1cc(O)ccc1)cccc2	InChI=1S/C21H17NO4S/c1-12-9-17(24)20(21(25)26-12)16-11-19(13-5-4-6-14(23)10-13)27-18-8-3-2-7-15(18)22-16/h2-10,19,23-24H,11H2,1H3	C21H17NO4S	379.429	5	2	104.42	4	2	0	0.0875999999999999	4.61736	3.11	4.185	57.2828	107.1026	2.7012	338.848405100813
Cond-002291	NPD2390	NPD2390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0546730338	CCc1cc(=O)oc2c(C)c(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)ccc12	InChI=1S/C26H26N2O7/c1-4-15-10-23(30)35-24-13(2)22(8-6-18(15)24)34-14(3)25(31)28-21(26(32)33)9-16-12-27-20-7-5-17(29)11-19(16)20/h5-8,10-12,14,21,27,29H,4,9H2,1-3H3,(H,28,31)(H,32,33)	C26H26N2O7	478.494	9	4	137.95	4	9	0	-1.0866	4.22408000000001	3.33	2.985	70.7219	135.3513	3.4751	430.650285781597
Cond-002292	NPD2391	NPD2391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6419331218	COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1	InChI=1S/C22H23NO5/c1-13-17-8-9-19(24)14(2)21(17)28-22(26)18(13)12-20(25)23-11-10-15-4-6-16(27-3)7-5-15/h4-9,24H,10-12H2,1-3H3,(H,23,25)	C22H23NO5	381.422	6	2	84.86	3	7	0	0.424599999999999	3.84759	3.22	3.067	56.2094	111.2277	2.8889	361.418509771241
Cond-002293	NPD2392	NPD2392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1596790764	CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O)C(=O)O	InChI=1S/C23H26N4O5S/c1-33-12-11-17(22(30)31)25-21(29)18(13-15-7-3-2-4-8-15)26-23(32)27-14-20(28)24-16-9-5-6-10-19(16)27/h2-10,17-18H,11-14H2,1H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/t17-,18+/m1/s1	C23H26N4O5S	470.541	9	4	156.63	3	12	1	-1.621	3.39667	2.89	4.961	70.2668	133.025	3.4497	427.577340378408
Cond-002294	NPD2393	NPD2393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9248771355	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C23H27N5O6/c1-11(2)17(19(30)26-15(20(31)32)10-16(24)29)28-21(33)23(3)18-13(8-9-27(23)22(28)34)12-6-4-5-7-14(12)25-18/h4-7,11,15,17,25H,8-10H2,1-3H3,(H2,24,29)(H,26,30)(H,31,32)/t15-,17-,23-/m0/s1	C23H27N5O6	469.49	11	5	165.9	4	8	1	-1.9657	0.48888	2.78	-0.0199999999999999	82.9485	124.2449	3.3791	419.135303229536
Cond-002295	NPD2394	NPD2394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6483797892	CC(C)(C)n1c(O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C19H22N4O3/c1-19(2,3)23-17(25)13(16(24)22-18(23)26)15-14-11(8-9-20-15)10-6-4-5-7-12(10)21-14/h4-7,15,20-21,24H,8-9H2,1-3H3,(H,22,26)	C19H22N4O3	354.403	7	4	100.95	4	2	0	0.376799999999998	2.31896	2.78	2.356	63.9985	103.5473	2.6256	317.856841817819
Cond-002296	NPD2395	NPD2395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6555022759	CCCCc1cc(=O)oc2c(C)c(OC(=O)C(CC)NC(=O)OCc3ccccc3)ccc12	InChI=1S/C26H29NO6/c1-4-6-12-19-15-23(28)33-24-17(3)22(14-13-20(19)24)32-25(29)21(5-2)27-26(30)31-16-18-10-8-7-9-11-18/h7-11,13-15,21H,4-6,12,16H2,1-3H3,(H,27,30)	C26H29NO6	451.512	7	1	90.93	3	12	2	-0.3032	5.58559000000001	3.55	7.183	69.3343	128.5087	3.4682	436.756216274469
Cond-002297	NPD2396	NPD2396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.296480785	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(C)c(C)c1)c1ccc(F)cc1	InChI=1S/C34H27FN4O3/c1-19-11-16-23(17-20(19)2)36-32(40)25-8-4-6-10-28(25)39-33(41)29-18-26-24-7-3-5-9-27(24)37-30(26)31(38(29)34(39)42)21-12-14-22(35)15-13-21/h3-17,29,31,37H,18H2,1-2H3,(H,36,40)/t29-,31?/m0/s1	C34H27FN4O3	558.602	7	2	85.51	7	5	1	-0.1878	6.23221000000001	4.32	8.25	49.0884	159.9047	4.04400000000001	489.866665646526
Cond-002298	NPD2398	NPD2398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5494968406	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H33N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-4)20-15-31-24(33)16-30(12-7-13-32)27(34)28(31,3)26-25(20)19-8-5-6-9-21(19)29-26/h5-6,8-11,14,17,20,29,32H,7,12-13,15-16H2,1-4H3/t20?,28-/m0/s1	C28H33N3O5	491.579	8	2	95.1	5	7	0	-2.6387	3.23169000000001	3.66	2.785	78.0964	139.5248	3.7167	451.575020541175
Cond-002299	NPD2399	NPD2399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	53.9814265955	COC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc(c1)c1nc2c(o1)cccc2	InChI=1S/C21H23N3O4/c1-13(2)11-17(20(25)27-3)24-21(26)22-15-8-6-7-14(12-15)19-23-16-9-4-5-10-18(16)28-19/h4-10,12-13,17H,11H2,1-3H3,(H2,22,24,26)/t17-/m0/s1	C21H23N3O4	381.425	7	2	93.46	3	9	0	-0.0992000000000014	5.49157	3	4.823	45.5925	112.2694	2.8889	346.425818861146
Cond-002300	NPD24	NPD24	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0716045804	COc1cc2c(cc1)n(C)c(C)c2C(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C24H27N3O3/c1-15-24(19-10-18(30-3)7-8-21(19)25(15)2)22(28)14-26-11-16-9-17(13-26)20-5-4-6-23(29)27(20)12-16/h4-8,10,16-17H,9,11-14H2,1-3H3/t16-,17+/m0/s1	C24H27N3O3	405.489	6	0	54.78	5	4	0	-0.716899999999999	3.06837	3.44	1.483	86.3879	117.8925	3.0787	378.347087337386
Cond-002301	NPD240	NPD240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.989928593	Cc1cc2c(cc1)n1CCN(CC(O)COc3c(C)cccc3)C3CCCc2c13	InChI=1S/C25H30N2O2/c1-17-10-11-22-21(14-17)20-7-5-8-23-25(20)27(22)13-12-26(23)15-19(28)16-29-24-9-4-3-6-18(24)2/h3-4,6,9-11,14,19,23,28H,5,7-8,12-13,15-16H2,1-2H3	C25H30N2O2	390.518	4	1	37.63	5	5	1	0.128	4.44983000000001	3.77	5.112	57.3171	117.0038	3.1041	367.592543755325
Cond-002302	NPD2400	NPD2400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0899541352	Cc1c2oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c(C)c2cc2c1occ2c1ccc(F)cc1	InChI=1S/C26H22FNO6/c1-13-17-10-19-20(15-5-7-16(27)8-6-15)12-33-23(19)14(2)24(17)34-26(32)18(13)11-22(29)28-9-3-4-21(28)25(30)31/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,30,31)/t21-/m0/s1	C26H22FNO6	463.454	7	1	97.05	5	5	0	0.0338000000000008	5.02549000000001	3.44	3.536	60.7341	125.5908	3.2257	404.574399022375
Cond-002303	NPD2402	NPD2402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9084884514	COc1c(OC)cc(CCNC(=O)N[C@H](CCSC)C(=O)O)cc1	InChI=1S/C16H24N2O5S/c1-22-13-5-4-11(10-14(13)23-2)6-8-17-16(21)18-12(15(19)20)7-9-24-3/h4-5,10,12H,6-9H2,1-3H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1	C16H24N2O5S	356.437	7	3	122.19	1	12	1	-0.444499999999998	1.98569	2.34	1.974	65.3943	97.4502000000001	2.696	333.307138486607
Cond-002304	NPD2403	NPD2403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2677182848	Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc4OCOc4c3)c(=O)oc1c2C	InChI=1S/C23H19NO6/c1-11-9-27-21-13(3)22-16(7-15(11)21)12(2)17(23(26)30-22)8-20(25)24-14-4-5-18-19(6-14)29-10-28-18/h4-7,9H,8,10H2,1-3H3,(H,24,25)	C23H19NO6	405.4	7	1	87	5	4	0	0.8547	5.59169	3.22	2.963	51.7583	114.0807	2.8283	349.255344995269
Cond-002305	NPD2404	NPD2404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.930304916	COc1cc(OC)c(CN2COc3c(C2)cc2c4c(CCC4)c(=O)oc2c3C)cc1	InChI=1S/C24H25NO5/c1-14-22-16(9-20-18-5-4-6-19(18)24(26)30-23(14)20)12-25(13-29-22)11-15-7-8-17(27-2)10-21(15)28-3/h7-10H,4-6,11-13H2,1-3H3	C24H25NO5	407.459	6	0	57.23	5	4	0	0.2485	4.92439000000001	3.44	3.281	65.1216	118.16	2.9965	373.934020322174
Cond-002306	NPD2405	NPD2405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8296802735	Cc1c(CC(=O)NCc2cnccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H20N2O4/c1-16-19-10-21-22(18-7-3-2-4-8-18)15-31-23(21)12-24(19)32-26(30)20(16)11-25(29)28-14-17-6-5-9-27-13-17/h2-10,12-13,15H,11,14H2,1H3,(H,28,29)	C26H20N2O4	424.448	6	1	81.43	5	6	1	-0.115	5.15467	3.66	5.266	37.9942	124.9497	3.1044	375.750229577513
Cond-002307	NPD2406	NPD2406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.234001261	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(OC)cc1	InChI=1S/C32H32N4O4S/c1-40-20-13-11-19(12-14-20)18-33-30(37)26(15-16-41-2)35-31(38)27-17-24-21-7-5-6-10-25(21)34-28(24)29-22-8-3-4-9-23(22)32(39)36(27)29/h3-14,26-27,29,34H,15-18H2,1-2H3,(H,33,37)(H,35,38)/t26-,27-,29?/m0/s1	C32H32N4O4S	568.686	8	3	128.83	6	11	2	-2.2507	3.44979000000001	3.99	5.829	73.6754	162.3154	4.20430000000001	507.672223105847
Cond-002308	NPD2407	NPD2407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1134976812	CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C22H27NO6/c1-4-12(2)19(21(25)26)23-18(24)11-28-17-10-9-15-14-7-5-6-8-16(14)22(27)29-20(15)13(17)3/h9-10,12,19H,4-8,11H2,1-3H3,(H,23,24)(H,25,26)/t12-,19-/m0/s1	C22H27NO6	401.453	7	2	101.93	3	8	0	-1.3146	4.06299000000001	3.11	3.298	76.7365	112.1905	3.0336	386.381653873402
Cond-002309	NPD2408	NPD2408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4786054278	Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C24H20FNO6/c1-13-16-9-18-19(14-4-6-15(25)7-5-14)12-31-20(18)11-21(16)32-24(30)17(13)10-22(27)26-8-2-3-23(28)29/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,26,27)(H,28,29)	C24H20FNO6	437.417	7	2	105.84	4	8	0	-0.1283	5.08558000000001	3.22	3.189	53.5468	120.5215	3.0525	382.338888471442
Cond-002310	NPD2409	NPD2409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9282907185	[C@@H]12Cc3ccccc3CN1C(=O)N(CCC(=O)N[C@H](CCSC)C(=O)O)C2=O	InChI=1S/C19H23N3O5S/c1-28-9-7-14(18(25)26)20-16(23)6-8-21-17(24)15-10-12-4-2-3-5-13(12)11-22(15)19(21)27/h2-5,14-15H,6-11H2,1H3,(H,20,23)(H,25,26)/t14-,15+/m1/s1	C19H23N3O5S	405.468	8	2	132.32	3	9	0	-1.4031	0.98249	2.56	2.023	76.1435	106.2555	2.9153	366.206017769174
Cond-002311	NPD241	NPD241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5254307232	CCOC(=O)COc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1	InChI=1S/C21H20O7/c1-4-25-19(22)12-26-15-8-9-17-18(11-15)27-13(2)21(20(17)23)28-16-7-5-6-14(10-16)24-3/h5-11H,4,12H2,1-3H3	C21H20O7	384.379	7	0	80.29	3	8	0	-0.704399999999998	5.18515	3	4.153	53.0698	109.0065	2.7656	350.70621833833
Cond-002312	NPD2410	NPD2410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9697666455	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1	InChI=1S/C28H32N4O2/c1-27(2)14-16(15-28(3,4)31-27)29-25(33)22-13-20-17-9-7-8-12-21(17)30-23(20)24-18-10-5-6-11-19(18)26(34)32(22)24/h5-12,16,22,24,30-31H,13-15H2,1-4H3,(H,29,33)/t22-,24?/m0/s1	C28H32N4O2	456.579	6	3	77.23	6	3	1	-0.606500000000001	3.65179000000001	3.88	5.24	72.9066	135.7594	3.53180000000001	423.844641946858
Cond-002313	NPD2411	NPD2411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.0617525018	CCC(NC(=O)CCc1c(C)c2c(oc1=O)cc1oc(C)c(C)c1c2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C30H32N2O7/c1-5-23(28(34)32-24(29(35)36)13-19-9-7-6-8-10-19)31-27(33)12-11-20-17(3)22-14-21-16(2)18(4)38-25(21)15-26(22)39-30(20)37/h6-10,14-15,23-24H,5,11-13H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23?,24-/m0/s1	C30H32N2O7	532.584	9	3	134.94	4	12	2	-0.345800000000002	4.20121000000001	3.77	5.375	84.3641	149.5622	3.9957	497.197765584264
Cond-002314	NPD2412	NPD2412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1082893634	Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OCc3ccccc3)CC2)c2c(C)cc(=O)oc2c1	InChI=1S/C27H29NO6/c1-17-12-22-25(18(2)14-24(29)33-22)23(13-17)34-26(30)21-10-8-19(9-11-21)15-28-27(31)32-16-20-6-4-3-5-7-20/h3-7,12-14,19,21H,8-11,15-16H2,1-2H3,(H,28,31)/t19-,21-	C27H29NO6	463.522	7	1	90.93	4	9	1	1.7781	4.88759000000001	3.66	6.39	75.0598	128.5667	3.5005	441.695742199536
Cond-002315	NPD2414	NPD2414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.1430226664	CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C26H30N4O6/c1-15(2)13-20(22(31)27-16(3)25(34)35)28-23(32)21(14-17-9-5-4-6-10-17)30-24(33)18-11-7-8-12-19(18)29-26(30)36/h4-12,15-16,20-21H,13-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16-,20-,21+/m0/s1	C26H30N4O6	494.54	10	4	144.91	3	12	2	-1.7897	3.23978	3.22	5.226	76.4385	135.6764	3.72460000000001	467.110038198169
Cond-002316	NPD2415	NPD2415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.4008893049	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C31H31N3O2/c1-4-21-13-15-23(16-14-21)25-18-34-27(35)19-33(17-22-11-9-20(2)10-12-22)30(36)31(34,3)29-28(25)24-7-5-6-8-26(24)32-29/h5-16,25,32H,4,17-19H2,1-3H3/t25?,31-/m0/s1	C31H31N3O2	477.597	5	1	56.41	6	4	1	-0.7994	4.50461000000001	4.32	8.319	59.6304	143.047	3.7257	445.926459513892
Cond-002317	NPD2416	NPD2416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9619898836	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(CN(CO3)c3ccc(Oc4ccccc4)cc3)cc12	InChI=1S/C32H27NO4/c1-21-28-18-24-19-33(25-13-15-27(16-14-25)36-26-11-7-4-8-12-26)20-35-30(24)22(2)31(28)37-32(34)29(21)17-23-9-5-3-6-10-23/h3-16,18H,17,19-20H2,1-2H3	C32H27NO4	489.561	5	0	48	6	5	1	1.4478	8.59447	4.43	9.677	44.8576	151.391	3.6984	453.536459722947
Cond-002318	NPD2417	NPD2417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.977250247	COc1cc(c(OC)cc1)c1cc2ccc(OCC(=O)N)cc2oc1=O	InChI=1S/C19H17NO6/c1-23-12-5-6-16(24-2)14(8-12)15-7-11-3-4-13(25-10-18(20)21)9-17(11)26-19(15)22/h3-9H,10H2,1-2H3,(H2,20,21)	C19H17NO6	355.341	7	2	97.08	3	6	0	-0.913200000000001	2.47057	2.78	2.111	43.6444	97.6334	2.5249	318.320782594201
Cond-002319	NPD2418	NPD2418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4673090667	CCOc1ccc(Br)cc1C1N2C[C@@]3(C)CN1C[C@@](C)(C2)C3O	InChI=1S/C18H25BrN2O2/c1-4-23-14-6-5-12(19)7-13(14)15-20-8-17(2)9-21(15)11-18(3,10-20)16(17)22/h5-7,15-16,22H,4,8-11H2,1-3H3/t15?,16?,17-,18+	C18H25BrN2O2	381.307	4	1	35.94	1	3	0	1.3261	3.0791	2.89	2.73	70.2387	94.9678000000001	2.5734	310.506563855824
Cond-002320	NPD2419	NPD2419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8453659017	[C@@H]12CCC3=CC(=O)C=C[C@]3(C)C1[C@@H](O)C[C@@]1(C)C2CC[C@]1(O)C(=O)COC(=O)CCC(=O)NC(C)C(=O)O	InChI=1S/C28H37NO9/c1-15(25(35)36)29-22(33)6-7-23(34)38-14-21(32)28(37)11-9-19-18-5-4-16-12-17(30)8-10-26(16,2)24(18)20(31)13-27(19,28)3/h8,10,12,15,18-20,24,31,37H,4-7,9,11,13-14H2,1-3H3,(H,29,33)(H,35,36)/t15?,18-,19?,20-,24?,26-,27-,28-/m0/s1	C28H37NO9	531.595	10	4	167.3	4	10	0	-1.3993	1.56427	3.44	0.4	133.9034	136.0991	3.9465	515.071783029486
Cond-002321	NPD242	NPD242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3829693206	CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]21C	InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15?,16?,18-,19?,21+,23-,24-,25-,26+/m0/s1	C26H32F2O7	494.525	7	1	99.13	5	4	0	0.0860999999999972	3.02387	3.33	1.893	119.0724	121.1278	3.4603	456.954176569876
Cond-002322	NPD2420	NPD2420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8012250543	COc1ccc2n(C)c(cc2c1)C(=O)N[C@@H](C(C)C)C(=O)NCCC(=O)O	InChI=1S/C19H25N3O5/c1-11(2)17(19(26)20-8-7-16(23)24)21-18(25)15-10-12-9-13(27-4)5-6-14(12)22(15)3/h5-6,9-11,17H,7-8H2,1-4H3,(H,20,26)(H,21,25)(H,23,24)/t17-/m0/s1	C19H25N3O5	375.419	8	3	109.66	2	10	0	-0.983499999999999	2.17128	2.67	1.342	64.8648	105.1097	2.8604	349.153452412374
Cond-002323	NPD2421	NPD2421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9801980198	OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1cnc2ccccc2c1=O	InChI=1S/C19H17N3O5/c23-13-7-5-12(6-8-13)9-16(19(26)27)21-17(24)10-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11,16,23H,9-10H2,(H,21,24)(H,26,27)/t16-/m0/s1	C19H17N3O5	367.355	8	3	119.3	3	7	0	-2.3004	1.45148	2.67	2.05	44.9681	101.0658	2.6228	328.887617609174
Cond-002324	NPD2423	NPD2423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6472399438	COc1c(CN2COc3c(C2)cc2c4c(CCC4)c(=O)oc2c3C)cccc1	InChI=1S/C23H23NO4/c1-14-21-16(10-19-17-7-5-8-18(17)23(25)28-22(14)19)12-24(13-27-21)11-15-6-3-4-9-20(15)26-2/h3-4,6,9-10H,5,7-8,11-13H2,1-2H3	C23H23NO4	377.433	5	0	48	5	3	0	0.300300000000001	4.91579	3.44	3.936	57.8058	111.608	2.7969	347.847808995747
Cond-002325	NPD2424	NPD2424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8758187841	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C28H24N4O5/c33-25(30-23(27(35)36)15-18-16-29-21-12-6-4-10-19(18)21)24(14-17-8-2-1-3-9-17)32-26(34)20-11-5-7-13-22(20)31-28(32)37/h1-13,16,23-24,29H,14-15H2,(H,30,33)(H,31,37)(H,35,36)/t23-,24-/m0/s1	C28H24N4O5	496.514	9	4	135.09	5	9	1	-1.6824	3.64747000000001	3.55	6.544	50.2562	143.3698	3.60150000000001	438.489487245341
Cond-002326	NPD2425	NPD2425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6730630249	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cc(CC)cc4)[C@@H]1C(=O)N(Cc1ccccc1)C2=O	InChI=1S/C29H27N3O5/c1-2-16-8-10-20-19(12-16)29(28(37)30-20)25-24(21(31-29)13-18-9-11-22(33)23(34)14-18)26(35)32(27(25)36)15-17-6-4-3-5-7-17/h3-12,14,21,24-25,31,33-34H,2,13,15H2,1H3,(H,30,37)/t21?,24-,25+,29?/m1/s1	C29H27N3O5	497.542	8	4	118.97	6	5	0	-2.9779	3.03159	3.77	4.702	61.1259	137.724	3.62000000000001	448.605170363842
Cond-002327	NPD2427	NPD2427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.3460551556	[C@@H]12[C@H](CC(=O)N)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccc2OCOc2c1	InChI=1S/C22H18N4O6/c23-16(27)8-13-17-18(22(25-13)11-3-1-2-4-12(11)24-21(22)30)20(29)26(19(17)28)10-5-6-14-15(7-10)32-9-31-14/h1-7,13,17-18,25H,8-9H2,(H2,23,27)(H,24,30)/t13-,17+,18-,22-/m0/s1	C22H18N4O6	434.402	10	4	140.06	6	3	0	-3.3409	1.79117	2.78	0.378	55.5314	114.9818	2.8782	363.493182293102
Cond-002328	NPD2428	NPD2428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9623215539	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3c(OC)cccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C31H31N3O3/c1-4-20-13-15-21(16-14-20)24-18-34-27(35)19-33(17-22-9-5-8-12-26(22)37-3)30(36)31(34,2)29-28(24)23-10-6-7-11-25(23)32-29/h5-16,24,32H,4,17-19H2,1-3H3/t24?,31-/m0/s1	C31H31N3O3	493.596	6	1	65.64	6	5	1	-1.4932	5.04069000000001	4.21	7.13	61.4441	148.286	3.7844	454.716686214453
Cond-002329	NPD2429	NPD2429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.2205973942	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCCCCO)c(=O)cc12)NC(=O)C	InChI=1S/C26H34N2O6/c1-16(30)28-20-10-8-17-14-23(32-2)25(33-3)26(34-4)24(17)18-9-11-21(22(31)15-19(18)20)27-12-6-5-7-13-29/h9,11,14-15,20,29H,5-8,10,12-13H2,1-4H3,(H,27,31)(H,28,30)/t20-/m0/s1	C26H34N2O6	470.558	8	3	106.12	3	11	1	-2.5829	2.59546000000001	3.44	1.808	103.1262	131.7542	3.654	463.925893884236
Cond-002330	NPD243	NPD243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.7084803968	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)[O-])C(O)C1O.CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC	InChI=1S/C24H51N.C10H14N5O7P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h4-24H2,1-3H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)	C34H65N6O7P	700.89	12	5	198.71	3	4	1	-2.8927	-2.95101	1.13	-3.467	42.5379	66.7728	2.1128	247.125506056228
Cond-002331	NPD2430	NPD2430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.6587008473	CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C31H32N4O6/c1-19(2)26(30(39)40)34-27(36)24(17-20-11-5-3-6-12-20)32-28(37)25(18-21-13-7-4-8-14-21)35-29(38)22-15-9-10-16-23(22)33-31(35)41/h3-16,19,24-26H,17-18H2,1-2H3,(H,32,37)(H,33,41)(H,34,36)(H,39,40)/t24-,25+,26-/m0/s1	C31H32N4O6	556.609	10	4	144.91	4	13	2	-2.0342	4.07248	3.77	7.711	70.9534	155.5314	4.19150000000001	522.424126524303
Cond-002332	NPD2431	NPD2431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.7270194986	[C@@H]12CCC[C@@H]1N([C@@H](C2)C(=O)O)C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC	InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1	C23H32N2O5	416.511	7	2	95.94	3	11	1	-2.1003	2.61709	3.22	4.916	78.8146	115.0405	3.2586	408.520630707675
Cond-002333	NPD2432	NPD2432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.0549910341	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)c3)C2=O)cc1	InChI=1S/C29H24N2O7/c1-36-19-8-6-17(7-9-19)12-26-28(33)22-11-10-20(14-25(22)38-26)37-16-27(32)31-24(29(34)35)13-18-15-30-23-5-3-2-4-21(18)23/h2-12,14-15,24,30H,13,16H2,1H3,(H,31,32)(H,34,35)/b26-12-/t24-/m1/s1	C29H24N2O7	512.51	9	3	126.95	5	10	0	-2.1943	4.95965000000001	3.66	4.845	56.2573	147.212	3.66020000000001	451.372404855997
Cond-002334	NPD2433	NPD2433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7052818464	[C@@H]12CC3=CCCC(C)[C@@]3(C)C(O)[C@@H]1C(CN1CCN(CC1)c1c(C)ccc(Cl)c1)C(=O)O2	InChI=1S/C26H35ClN2O3/c1-16-7-8-19(27)14-21(16)29-11-9-28(10-12-29)15-20-23-22(32-25(20)31)13-18-6-4-5-17(2)26(18,3)24(23)30/h6-8,14,17,20,22-24,30H,4-5,9-13,15H2,1-3H3/t17?,20?,22-,23-,24?,26-/m1/s1	C26H35ClN2O3	459.021	5	1	53.01	5	3	0	1.6191	4.51690000000001	3.66	3.469	102.0766	129.4798	3.5121	435.962740253786
Cond-002335	NPD2434	NPD2434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.2686391692	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc4c(cc3)n(CC)c3c4cccc3)cc12	InChI=1S/C29H28N2O3/c1-4-8-19-14-27(32)34-29-18(3)28-20(13-23(19)29)16-30(17-33-28)21-11-12-26-24(15-21)22-9-6-7-10-25(22)31(26)5-2/h6-7,9-15H,4-5,8,16-17H2,1-3H3	C29H28N2O3	452.544	5	0	43.7	6	4	1	0.784200000000001	8.00167000000001	4.1	6.792	60.8446	142.676	3.4458	411.764415455353
Cond-002336	NPD2435	NPD2435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2087554537	Cc1c2oc(=O)c(CC(=O)NC(C(=O)O)c3ccccc3)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C27H27NO6/c1-14-17-11-19-20(27(3,4)5)13-33-23(19)15(2)24(17)34-26(32)18(14)12-21(29)28-22(25(30)31)16-9-7-6-8-10-16/h6-11,13,22H,12H2,1-5H3,(H,28,29)(H,30,31)	C27H27NO6	461.506	7	2	105.84	4	7	1	1.6747	4.99389000000001	3.66	5.668	68.453	129.8255	3.4575	428.159283498736
Cond-002337	NPD2436	NPD2436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.2765491134	CCn1c2ccc(NC(=O)C3CCC(=O)N3C3OC(=O)c4c3ccc(OC)c4OC)cc2c2c1cccc2	InChI=1S/C29H27N3O6/c1-4-31-20-8-6-5-7-17(20)19-15-16(9-11-21(19)31)30-27(34)22-12-14-24(33)32(22)28-18-10-13-23(36-2)26(37-3)25(18)29(35)38-28/h5-11,13,15,22,28H,4,12,14H2,1-3H3,(H,30,34)	C29H27N3O6	513.541	9	1	99.1	6	7	0	-1.3765	5.31758000000001	3.66	4.633	62.6559	145.1117	3.6787	446.495397064403
Cond-002338	NPD2437	NPD2437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1784121979	O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)C1CCCc2ccccc12	InChI=1S/C27H23NO3/c29-26-15-22(19-7-2-1-3-8-19)21-13-14-25-23(27(21)31-26)16-28(17-30-25)24-12-6-10-18-9-4-5-11-20(18)24/h1-5,7-9,11,13-15,24H,6,10,12,16-17H2	C27H23NO3	409.476	4	0	38.77	6	2	1	-0.613400000000001	5.69367000000001	3.99	8.459	42.8648	123.792	3.0642	377.075685995452
Cond-002339	NPD2438	NPD2438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.6606250612	COC(=O)c1ccc(cc1)N1COc2c(C1)cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C	InChI=1S/C28H25NO5/c1-17-23-14-21-15-29(22-11-9-20(10-12-22)27(30)32-3)16-33-25(21)18(2)26(23)34-28(31)24(17)13-19-7-5-4-6-8-19/h4-12,14H,13,15-16H2,1-3H3	C28H25NO5	455.502	6	0	65.07	5	5	1	1.6131	5.53281000000001	3.88	7.136	55.2269	134.836	3.3881	421.672124022441
Cond-002340	NPD2439	NPD2439	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1525506468	CCc1cc(=O)oc2cc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(Cl)cc12	InChI=1S/C25H23ClN2O7/c1-3-13-7-23(30)35-21-10-22(18(26)9-17(13)21)34-12(2)24(31)28-20(25(32)33)6-14-11-27-19-5-4-15(29)8-16(14)19/h4-5,7-12,20,27,29H,3,6H2,1-2H3,(H,28,31)(H,32,33)	C25H23ClN2O7	498.912	9	4	137.95	4	9	0	-0.9843	4.29396	3.11	2.969	70.8354	134.3943	3.45660000000001	428.565368926163
Cond-002341	NPD244	NPD244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4403302477	COc1cc2c(CN(CC2)C(=O)C(c2ccccc2)c2ccccc2)cc1OC	InChI=1S/C25H25NO3/c1-28-22-15-20-13-14-26(17-21(20)16-23(22)29-2)25(27)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,24H,13-14,17H2,1-2H3	C25H25NO3	387.471	4	0	38.77	4	6	1	-0.604299999999999	4.29829000000001	3.77	7.436	39.5709	114.954	3.0426	369.833092846119
Cond-002342	NPD2440	NPD2440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4837617055	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCO	InChI=1S/C23H23N3O3/c1-2-29-20-11-6-4-9-16(20)21-22-17(15-8-3-5-10-18(15)25-22)14-19(26-21)23(28)24-12-7-13-27/h3-6,8-11,14,25,27H,2,7,12-13H2,1H3,(H,24,28)	C23H23N3O3	389.447	6	3	87.24	4	8	0	-1.5817	4.23927000000001	3.33	4.074	37.2517	120.6605	2.9604	346.334644010719
Cond-002343	NPD2441	NPD2441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.4421199442	CSCC[C@H](NC(=O)C(C)Oc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C22H27NO6S/c1-12-18(28-13(2)20(24)23-17(21(25)26)10-11-30-3)9-8-15-14-6-4-5-7-16(14)22(27)29-19(12)15/h8-9,13,17H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)/t13?,17-/m0/s1	C22H27NO6S	433.518	7	2	127.23	3	9	0	-0.698799999999998	4.15849	3	3.571	85.1644	120.3295	3.1971	404.890677931002
Cond-002344	NPD2442	NPD2442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.710493674	COc1ccc(NC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)cc1OC	InChI=1S/C25H25NO6/c1-13-15(3)31-21-12-22-19(11-18(13)21)14(2)17(25(28)32-22)7-9-24(27)26-16-6-8-20(29-4)23(10-16)30-5/h6,8,10-12H,7,9H2,1-5H3,(H,26,27)	C25H25NO6	435.469	7	1	87	4	7	0	0.9137	5.7503	3.44	3.59	64.0136	126.0467	3.2187	396.203772947802
Cond-002345	NPD2443	NPD2443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.898591619	CC(C)[C@H](NC(=O)C1CN(C(=O)C1)c1cc2c(OCCO2)cc1)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C21H27N3O7/c1-11(2)18(20(27)22-12(3)21(28)29)23-19(26)13-8-17(25)24(10-13)14-4-5-15-16(9-14)31-7-6-30-15/h4-5,9,11-13,18H,6-8,10H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)/t12-,13?,18-/m0/s1	C21H27N3O7	433.455	10	3	134.27	3	9	0	-2.2175	1.80257	2.67	0.167	81.9015	115.6292	3.151	399.86941636443
Cond-002346	NPD2444	NPD2444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3866881158	COc1cc(NC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)cc(OC)c1	InChI=1S/C25H27NO6/c1-14-19-8-15-6-7-25(2,3)32-21(15)13-22(19)31-24(28)20(14)12-23(27)26-16-9-17(29-4)11-18(10-16)30-5/h8-11,13H,6-7,12H2,1-5H3,(H,26,27)	C25H27NO6	437.485	7	1	83.09	4	6	0	0.681899999999999	6.18155	3.44	3.801	70.9988	127.0377	3.2617	409.740231648602
Cond-002347	NPD2445	NPD2445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4085064293	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCN3CCOCC3)c12	InChI=1S/C24H32N2O6/c1-4-16-13-21(28)31-23-17-5-6-24(2,3)32-18(17)14-19(22(16)23)30-15-20(27)25-7-8-26-9-11-29-12-10-26/h13-14H,4-12,15H2,1-3H3,(H,25,27)	C24H32N2O6	444.521	8	1	86.33	4	8	0	0.0772999999999995	3.38256	3.22	1.83	96.7828	125.4397	3.3496	422.250383333303
Cond-002348	NPD2446	NPD2446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.9368058587	COC(=O)c1ccc(COc2ccc3C(=O)/C(=C/C4=Cc5ccccc5OC4)/Oc3c2)cc1	InChI=1S/C27H20O6/c1-30-27(29)19-8-6-17(7-9-19)15-31-21-10-11-22-24(14-21)33-25(26(22)28)13-18-12-20-4-2-3-5-23(20)32-16-18/h2-14H,15-16H2,1H3/b25-13-	C27H20O6	440.444	6	0	71.06	5	6	1	-0.3985	5.36115	3.77	5.86	50.3609	126.5665	3.16310000000001	399.533147188169
Cond-002349	NPD2447	NPD2447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.0296328629	COc1ccc(cc1OC)C(=O)Oc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1	InChI=1S/C25H18O8/c1-28-18-8-4-15(11-21(18)29-2)25(27)32-16-5-6-17-20(12-16)33-23(24(17)26)10-14-3-7-19-22(9-14)31-13-30-19/h3-12H,13H2,1-2H3/b23-10-	C25H18O8	446.406	8	0	89.52	5	6	0	-0.894300000000001	5.55595	3.33	4.83	45.0068	124.5895	3.0417	385.158090038357
Cond-002350	NPD2448	NPD2448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7522809094	CCC[NH+](CCC)Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1[O-]	InChI=1S/C25H25NO5/c1-3-11-26(12-4-2)15-20-21(27)10-9-17-18(14-23(28)31-24(17)20)19-13-16-7-5-6-8-22(16)30-25(19)29/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3	C25H25NO5	419.47	6	1	80.1	4	7	0	-2.4211	3.62486	3.55	4.644	62.4625	120.4697	3.16	398.313546247241
Cond-002351	NPD2449	NPD2449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0565066384	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C27H27NO6/c1-16-19-13-21-23(33-17(2)26(21)18-9-5-3-6-10-18)15-22(19)34-27(32)20(16)14-24(29)28-12-8-4-7-11-25(30)31/h3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1-2H3,(H,28,29)(H,30,31)	C27H27NO6	461.506	7	2	105.84	4	10	1	-0.744499999999998	5.73550000000001	3.66	5.498	64.23	135.8665	3.4575	428.159283498736
Cond-002352	NPD245	NPD245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9016801493	CCc1cc2c(oc(=O)cc2C)cc1OCC(=O)Nc1cccc(C)c1	InChI=1S/C21H21NO4/c1-4-15-10-17-14(3)9-21(24)26-19(17)11-18(15)25-12-20(23)22-16-7-5-6-13(2)8-16/h5-11H,4,12H2,1-3H3,(H,22,23)	C21H21NO4	351.396	5	1	64.63	3	6	0	0.6746	5.26967	3.22	4.832	50.2924	105.8587	2.6893	335.332298444813
Cond-002353	NPD2450	NPD2450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5018928073	COc1c(OC)c2c(cc1)C(OC2=O)N1C(CCC1=O)C(=O)Nc1cc(Cl)c(F)cc1	InChI=1S/C21H18ClFN2O6/c1-29-15-7-4-11-17(18(15)30-2)21(28)31-20(11)25-14(6-8-16(25)26)19(27)24-10-3-5-13(23)12(22)9-10/h3-5,7,9,14,20H,6,8H2,1-2H3,(H,24,27)	C21H18ClFN2O6	448.829	8	1	94.17	4	6	0	-0.5184	3.57709	2.67	2.955	56.2555	110.3627	2.938	372.831679974041
Cond-002354	NPD2451	NPD2451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1667654614	COc1c(OC)c(OC)c2n(C)c(cc2c1)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C21H22N2O6/c1-23-14(20(24)22-16(21(25)26)12-8-6-5-7-9-12)10-13-11-15(27-2)18(28-3)19(29-4)17(13)23/h5-11,16H,1-4H3,(H,22,24)(H,25,26)/t16-/m1/s1	C21H22N2O6	398.409	8	2	99.02	3	8	0	-1.0716	3.55857	2.89	2.954	48.5257	112.427	2.9065	353.009512054102
Cond-002355	NPD2452	NPD2452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.1138427087	C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C28H25NO6/c1-18-23-14-13-22(16-25(23)35-27(31)24(18)15-20-9-5-3-6-10-20)34-26(30)19(2)29-28(32)33-17-21-11-7-4-8-12-21/h3-14,16,19H,15,17H2,1-2H3,(H,29,32)/t19-/m1/s1	C28H25NO6	471.501	7	1	90.93	4	10	1	0.814399999999999	4.60138000000001	3.77	8.663	53.2914	133.8357	3.51240000000001	440.182350723002
Cond-002356	NPD2453	NPD2453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8206814106	COc1c(OC)c2c(cc1)C(OC2=O)N1[C@@H](CCC1=O)C(=O)Nc1cc2c(OCO2)cc1	InChI=1S/C22H20N2O8/c1-28-15-7-4-12-18(19(15)29-2)22(27)32-21(12)24-13(5-8-17(24)25)20(26)23-11-3-6-14-16(9-11)31-10-30-14/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3,(H,23,26)/t13-,21?/m0/s1	C22H20N2O8	440.403	10	1	112.63	5	6	0	-2.0451	3.01408	2.78	1.939	57.2395	113.5787	2.9476	374.073032679491
Cond-002357	NPD2454	NPD2454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0827434708	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NCc1ccc(Cl)cc1	InChI=1S/C20H19ClN2O4S/c1-26-15-8-7-13-16(17(15)27-2)19(25)23-14(10-28-20(13)23)18(24)22-9-11-3-5-12(21)6-4-11/h3-8,14,20H,9-10H2,1-2H3,(H,22,24)/t14-,20?/m0/s1	C20H19ClN2O4S	418.894	6	1	93.17	4	6	0	-0.0399999999999998	2.5859	2.78	2.642	58.8484	109.7547	2.8685	353.033165855146
Cond-002358	NPD2455	NPD2455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.5389399608	Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C31H24N2O6/c1-17-21-12-23-24(18-7-3-2-4-8-18)16-38-27(23)14-28(21)39-31(37)22(17)13-29(34)33-26(30(35)36)11-19-15-32-25-10-6-5-9-20(19)25/h2-10,12,14-16,26,32H,11,13H2,1H3,(H,33,34)(H,35,36)/t26-/m0/s1	C31H24N2O6	520.532	8	3	121.63	6	8	1	-0.8815	5.99946000000001	3.99	6.159	51.9895	152.6645	3.73170000000001	451.281230005569
Cond-002359	NPD2456	NPD2456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3620178042	COc1cccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3C2C)c1	InChI=1S/C22H25NO4/c1-15-19-14-21(27-4)20(26-3)13-17(19)10-11-23(15)22(24)9-8-16-6-5-7-18(12-16)25-2/h5-9,12-15H,10-11H2,1-4H3/b9-8+	C22H25NO4	367.438	5	0	48	3	6	0	-0.161	3.58158000000001	3.33	4.021	58.093	106.809	2.8732	355.26474177148
Cond-002360	NPD2457	NPD2457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7877114256	CCOC(=O)c1ccc(cc1)n1c(=O)c(C2NCCc3c2[nH]c2c3cc(OC)cc2)c(O)nc1O	InChI=1S/C25H24N4O6/c1-3-35-24(32)13-4-6-14(7-5-13)29-23(31)19(22(30)28-25(29)33)21-20-16(10-11-26-21)17-12-15(34-2)8-9-18(17)27-20/h4-9,12,21,26-27,30H,3,10-11H2,1-2H3,(H,28,33)	C25H24N4O6	476.481	10	4	136.48	5	6	0	-0.447000000000001	2.74717000000001	3.11	2.714	68.096	132.3483	3.3665	414.201136170702
Cond-002361	NPD2458	NPD2458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.952784416	CCC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C31H32N4O6/c1-3-19(2)25(28(37)34-26(30(39)40)21-14-8-5-9-15-21)33-27(36)24(18-20-12-6-4-7-13-20)35-29(38)22-16-10-11-17-23(22)32-31(35)41/h4-17,19,24-26H,3,18H2,1-2H3,(H,32,41)(H,33,36)(H,34,37)(H,39,40)/t19?,24-,25+,26+/m1/s1	C31H32N4O6	556.609	10	4	144.91	4	13	2	-2.7728	4.25148	3.77	7.5	69.1658	154.6194	4.19150000000001	522.424126524303
Cond-002362	NPD2459	NPD2459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.1138146619	C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C25H27N5O7/c1-14(24(35)36)27-21(32)18(11-12-20(26)31)28-22(33)19(13-15-7-3-2-4-8-15)30-23(34)16-9-5-6-10-17(16)29-25(30)37/h2-10,14,18-19H,11-13H2,1H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,37)(H,35,36)/t14-,18-,19-/m0/s1	C25H27N5O7	509.511	12	6	191.49	3	13	2	-2.953	0.770380000000001	2.89	3.125	73.6561	135.9269	3.6992	466.96458178023
Cond-002363	NPD246	NPD246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8845401174	CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C41H72O2/c1-5-7-9-11-13-14-15-16-17-19-21-23-39(42)43-35-28-30-41(4)34(32-35)24-26-36-37-27-25-33(22-20-18-12-10-8-6-2)40(37,3)31-29-38(36)41/h24,33,35-38H,5-23,25-32H2,1-4H3/t33?,35-,36?,37?,38?,40+,41-/m0/s1	C41H72O2	597.009	2	0	26.3	4	21	2	-3.78030000000001	13.08898	5.75	17.892	153.8089	187.116999999999	5.48250000000001	680.573529557655
Cond-002364	NPD2460	NPD2460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.3290169261	COc1ccc(COc2ccc3C(=O)/C(=C/C4=Cc5ccccc5OC4)/Oc3c2)cc1	InChI=1S/C26H20O5/c1-28-20-8-6-17(7-9-20)15-29-21-10-11-22-24(14-21)31-25(26(22)27)13-18-12-19-4-2-3-5-23(19)30-16-18/h2-14H,15-16H2,1H3/b25-13-	C26H20O5	412.434	5	0	53.99	5	5	1	-0.4615	5.08236	3.77	5.858	45.6883	119.718	3.0065	376.083394562541
Cond-002365	NPD2461	NPD2461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0350178078	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)c1ccc(OC)cc1	InChI=1S/C31H26N4O8/c1-43-17-12-10-16(11-13-17)27-26-20(18-6-2-4-8-21(18)32-26)14-24-29(39)35(31(42)34(24)27)23-9-5-3-7-19(23)28(38)33-22(30(40)41)15-25(36)37/h2-13,22,24,27,32H,14-15H2,1H3,(H,33,38)(H,36,37)(H,40,41)/t22-,24-,27?/m0/s1	C31H26N4O8	582.56	12	4	169.34	6	9	1	-2.6052	3.11648	3.55	3.683	66.8381	155.9448	4.04870000000001	501.755203823025
Cond-002366	NPD2462	NPD2462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.2389553332	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)ccc12	InChI=1S/C24H25N3O8/c1-33-15-6-4-14(5-7-15)18-12-22(29)35-20-11-16(8-9-17(18)20)34-13-21(28)27-19(23(30)31)3-2-10-26-24(25)32/h4-9,11-12,19H,2-3,10,13H2,1H3,(H,27,28)(H,30,31)(H3,25,26,32)/t19-/m0/s1	C24H25N3O8	483.471	11	5	166.28	3	13	1	-2.5571	1.99457	2.89	1.777	67.2736	128.2736	3.4604	439.101762139391
Cond-002367	NPD2463	NPD2463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8910940213	Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCC(=O)O)c(=O)oc1c2C	InChI=1S/C29H30N2O7/c1-16-15-37-26-18(3)27-21(13-20(16)26)17(2)22(29(36)38-27)14-24(32)31-23(12-19-8-5-4-6-9-19)28(35)30-11-7-10-25(33)34/h4-6,8-9,13,15,23H,7,10-12,14H2,1-3H3,(H,30,35)(H,31,32)(H,33,34)/t23-/m1/s1	C29H30N2O7	518.558	9	3	134.94	4	12	1	-0.0534999999999991	4.01462000000001	3.66	4.453	79.3082	143.6002	3.8548	479.901780958397
Cond-002368	NPD2464	NPD2464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.3906142843	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(C)cc3C)cc12	InChI=1S/C24H27NO3/c1-5-6-7-18-12-22(26)28-24-17(4)23-19(11-20(18)24)13-25(14-27-23)21-9-8-15(2)10-16(21)3/h8-12H,5-7,13-14H2,1-4H3	C24H27NO3	377.476	4	0	38.77	4	4	1	1.4143	5.96953000000001	3.66	6.274	61.8719	115.122	2.9877	368.710025621852
Cond-002369	NPD2465	NPD2465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4618336781	[O-]c1c(cc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2c1)c1ccccc1	InChI=1S/C23H23NO5/c25-20-13-19-17(15-24-8-6-23(7-9-24)27-10-11-28-23)12-22(26)29-21(19)14-18(20)16-4-2-1-3-5-16/h1-5,12-14,25H,6-11,15H2	C23H23NO5	393.432	6	1	72.26	5	3	0	-2.9698	1.75177	3.33	3.852	50.2381	109.4947	2.8556	356.638035696308
Cond-002370	NPD2466	NPD2466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.3316843688	CN1C(=O)N(C)C(=O)C(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)(Cc2ccc(CC3(CN4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)C(=O)N(C)C(=O)N(C)C3=O)cc2)C1=O	InChI=1S/C44H50N8O8/c1-45-37(55)43(38(56)46(2)41(45)59,25-49-19-29-15-31(23-49)33-7-5-9-35(53)51(33)21-29)17-27-11-13-28(14-12-27)18-44(39(57)47(3)42(60)48(4)40(44)58)26-50-20-30-16-32(24-50)34-8-6-10-36(54)52(34)22-30/h5-14,29-32H,15-26H2,1-4H3/t29-,30-,31-,32-/m1/s1	C44H50N8O8	818.917	16	0	162.48	9	8	1	-2.6532	1.25185000000001	4.54	0.758	195.9792	216.696999999999	5.95380000000001	766.220668689555
Cond-002371	NPD2467	NPD2467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9778199473	COc1ccc(CNCCC(CCC(C)C)C2CCOC(C)(C)C2)cc1OC	InChI=1S/C24H41NO3/c1-18(2)7-9-20(21-12-14-28-24(3,4)16-21)11-13-25-17-19-8-10-22(26-5)23(15-19)27-6/h8,10,15,18,20-21,25H,7,9,11-14,16-17H2,1-6H3	C24H41NO3	391.587	4	1	39.72	2	11	2	-0.0909000000000029	5.60239000000001	3.66	6.075	86.9209	117.4917	3.4199	417.505236527453
Cond-002372	NPD2468	NPD2468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8483813891	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)N	InChI=1S/C24H22ClN5O5/c1-10-14(25)7-6-13-19(10)28-23(35)24(13)18-17(15(29-24)8-9-16(26)31)21(33)30(22(18)34)12-4-2-11(3-5-12)20(27)32/h2-7,15,17-18,29H,8-9H2,1H3,(H2,26,31)(H2,27,32)(H,28,35)/t15?,17-,18+,24?/m1/s1	C24H22ClN5O5	495.915	10	6	164.69	5	5	0	-2.5747	0.93951	2.89	-0.226	69.5301	127.9372	3.3891	425.222752822874
Cond-002373	NPD2469	NPD2469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9844666897	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C26H27ClN4O6/c1-36-17-8-6-13(12-18(17)37-2)10-11-31-23(33)20-16(7-9-19(28)32)30-26(21(20)24(31)34)14-4-3-5-15(27)22(14)29-25(26)35/h3-6,8,12,16,20-21,30H,7,9-11H2,1-2H3,(H2,28,32)(H,29,35)/t16?,20-,21+,26?/m1/s1	C26H27ClN4O6	526.969	10	4	140.06	5	8	0	-2.4183	2.13339	3.11	0.566	80.3821	137.0358	3.6728	460.244647267802
Cond-002374	NPD247	NPD247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.3663366337	OC(=O)CCNC(=O)COc1cc2c(cc1)c(cc(=O)o2)c1ccccc1	InChI=1S/C20H17NO6/c22-18(21-9-8-19(23)24)12-26-14-6-7-15-16(13-4-2-1-3-5-13)11-20(25)27-17(15)10-14/h1-7,10-11H,8-9,12H2,(H,21,22)(H,23,24)	C20H17NO6	367.352	7	2	101.93	3	8	0	-1.1097	2.55897	2.89	3.993	45.4184	100.5975	2.6228	332.980308519268
Cond-002375	NPD2470	NPD2470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7530930086	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCc1ccccc1)c1ccc(C)cc1	InChI=1S/C35H30N4O3/c1-22-15-17-24(18-16-22)32-31-27(25-11-5-7-13-28(25)37-31)21-30-34(41)39(35(42)38(30)32)29-14-8-6-12-26(29)33(40)36-20-19-23-9-3-2-4-10-23/h2-18,30,32,37H,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O3	554.638	7	2	85.51	7	7	1	-1.0423	5.18520000000001	4.54	9.74600000000001	51.8778	164.1477	4.16720000000001	501.095091422086
Cond-002376	NPD2471	NPD2471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.115361626	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCC1=CCCCC1)c1cc(OC)ccc1	InChI=1S/C35H34N4O4/c1-43-26-11-7-10-24(20-26)32-31-28(27-12-5-6-13-29(27)37-31)21-30-34(41)38(35(42)39(30)32)25-16-14-23(15-17-25)33(40)36-19-18-22-8-3-2-4-9-22/h5-8,10-17,20,30,32,37H,2-4,9,18-19,21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H34N4O4	574.669	8	2	94.74	7	8	1	-1.7219	5.73977000000001	4.43	6.605	77.9304	167.8117	4.3119	526.058235524247
Cond-002377	NPD2472	NPD2472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5412651044	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)CC)C(=O)NCCCC	InChI=1S/C29H34N4O3/c1-4-6-15-30-28(35)24(17(3)5-2)32-27(34)23-16-21-18-11-9-10-14-22(18)31-25(21)26-19-12-7-8-13-20(19)29(36)33(23)26/h7-14,17,23-24,26,31H,4-6,15-16H2,1-3H3,(H,30,35)(H,32,34)/t17?,23-,24-,26?/m0/s1	C29H34N4O3	486.605	7	3	94.3	5	10	1	-3.2434	3.67359000000001	3.88	5.601	74.3131	142.6044	3.797	459.650853273286
Cond-002378	NPD2473	NPD2473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	86.4638295774	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(Cc1ccccc1)C2=O	InChI=1S/C29H23ClN4O3/c30-20-11-6-10-19-25(20)32-28(37)29(19)24-23(26(35)34(27(24)36)15-16-7-2-1-3-8-16)22(33-29)13-17-14-31-21-12-5-4-9-18(17)21/h1-12,14,22-24,31,33H,13,15H2,(H,32,37)/t22?,23-,24+,29?/m1/s1	C29H23ClN4O3	510.971	7	3	94.3	7	4	0	-2.0403	4.11598	3.77	4.846	54.5618	143.3564	3.57320000000001	431.339627539719
Cond-002379	NPD2475	NPD2475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3720608575	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C30H34N4O5/c1-15(2)13-22(27(35)33-24(16(3)4)30(38)39)32-28(36)23-14-20-17-9-7-8-12-21(17)31-25(20)26-18-10-5-6-11-19(18)29(37)34(23)26/h5-12,15-16,22-24,26,31H,13-14H2,1-4H3,(H,32,36)(H,33,35)(H,38,39)/t22-,23-,24+,26?/m0/s1	C30H34N4O5	530.615	9	4	131.6	5	10	1	-1.6225	3.19348000000001	3.77	5.025	84.0629	149.0467	4.01230000000001	491.890832599475
Cond-002380	NPD2476	NPD2476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4230408838	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1cccc(OC)c1	InChI=1S/C24H24N4O4/c1-3-27-12-11-17-16-9-4-5-10-18(16)25-20(17)21(27)19-22(29)26-24(31)28(23(19)30)14-7-6-8-15(13-14)32-2/h4-10,13,21,25,29H,3,11-12H2,1-2H3,(H,26,31)	C24H24N4O4	432.472	8	3	101.39	5	4	0	0.0776999999999988	3.99305000000001	3.22	3.606	61.4023	127.0966	3.1512	381.961156844513
Cond-002381	NPD2477	NPD2477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0762657762	O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccc(Oc2ccccc2)cc1	InChI=1S/C29H21NO4/c31-28-17-25(20-7-3-1-4-8-20)24-15-16-27-26(29(24)34-28)18-30(19-32-27)21-11-13-23(14-12-21)33-22-9-5-2-6-10-22/h1-17H,18-19H2	C29H21NO4	447.481	5	0	48	6	4	1	-0.2035	7.98195	4.1	9.181	30.3974	138.532	3.27570000000001	401.648505845347
Cond-002382	NPD2478	NPD2478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1700600593	CSC[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)cc2oc1=O)C(=O)O	InChI=1S/C24H20FNO6S/c1-12-15-7-17-18(13-3-5-14(25)6-4-13)10-31-20(17)9-21(15)32-24(30)16(12)8-22(27)26-19(11-33-2)23(28)29/h3-7,9-10,19H,8,11H2,1-2H3,(H,26,27)(H,28,29)/t19-/m0/s1	C24H20FNO6S	469.482	7	2	131.14	4	8	0	0.660699999999999	4.85427	3.11	3.812	62.899	127.5285	3.216	400.847912529042
Cond-002383	NPD2479	NPD2479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8797652513	CCCCn1c(=O)c(C2N(C)CCc3c2c(OC)c2OCOc2c3)c(O)nc1S	InChI=1S/C20H25N3O5S/c1-4-5-7-23-19(25)14(18(24)21-20(23)29)15-13-11(6-8-22(15)2)9-12-16(17(13)26-3)28-10-27-12/h9,15,24H,4-8,10H2,1-3H3,(H,21,29)	C20H25N3O5S	419.495	8	1	122.63	4	5	0	0.0592000000000015	3.42356	2.67	1.503	84.1285	118.2868	2.9906	373.782002395041
Cond-002384	NPD248	NPD248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.887960384	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C23H33NO5/c1-14(25)23(28)11-8-19-17-5-4-15-12-16(24-29-13-20(26)27)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,28H,4-11,13H2,1-3H3,(H,26,27)/b24-16-/t17?,18?,19?,21-,22-,23-/m0/s1	C23H33NO5	403.512	6	2	96.19	4	4	0	-0.120800000000005	4.03627000000001	3.33	3.255	107.8113	113.4876	3.1362	401.340329200308
Cond-002385	NPD2480	NPD2480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4730290456	CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C19H24ClN3O4/c1-10(2)7-14(17(24)21-11(3)19(26)27)22-18(25)16-9-12-8-13(20)5-6-15(12)23(16)4/h5-6,8-11,14H,7H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t11-,14-/m0/s1	C19H24ClN3O4	393.865	7	3	100.43	2	9	0	-0.083999999999999	3.20458	2.67	3.03	67.5765	108.1627	2.9241	355.574293482246
Cond-002386	NPD2481	NPD2481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1470065205	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C22H22N2O4S/c1-22(2)17(24-19(26)14-10-6-7-11-15(14)20(24)29-22)18(25)23-16(21(27)28)12-13-8-4-3-5-9-13/h3-11,16-17,20H,12H2,1-2H3,(H,23,25)(H,27,28)/t16-,17+,20?/m0/s1	C22H22N2O4S	410.486	6	2	112.01	4	6	1	-0.4443	2.73989	3.11	5.446	58.3523	112.988	2.9849	369.777608635646
Cond-002387	NPD2483	NPD2483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8359692162	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](C(C)O)C(=O)O)c1cc(Cl)ccc1	InChI=1S/C30H25ClN4O6/c1-15(36)24(29(39)40)33-27(37)19-10-3-5-12-22(19)35-28(38)23-14-20-18-9-2-4-11-21(18)32-25(20)26(34(23)30(35)41)16-7-6-8-17(31)13-16/h2-13,15,23-24,26,32,36H,14H2,1H3,(H,33,37)(H,39,40)/t15?,23-,24-,26?/m0/s1	C30H25ClN4O6	572.996	10	4	143.04	6	7	0	-2.0635	3.66738000000001	3.55	4.434	65.2306	153.8308	3.95580000000001	484.726292267269
Cond-002388	NPD2484	NPD2484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3243256706	[C@@H]12Cc3c([nH]c4ccccc34)C(C)N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC	InChI=1S/C24H24N4O3/c1-3-12-25-22(29)16-9-5-7-11-19(16)28-23(30)20-13-17-15-8-4-6-10-18(15)26-21(17)14(2)27(20)24(28)31/h4-11,14,20,26H,3,12-13H2,1-2H3,(H,25,29)/t14?,20-/m0/s1	C24H24N4O3	416.472	7	2	85.51	5	5	0	-2.1253	3.31278	3.33	4.031	56.6329	121.7097	3.0925	373.170930143952
Cond-002389	NPD2485	NPD2485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.322574218	COc1c(OC)c2c(cc1)C(OC2=O)N1C(CCC1=O)C(=O)Nc1cc(Cl)cc(Cl)c1	InChI=1S/C21H18Cl2N2O6/c1-29-15-5-3-13-17(18(15)30-2)21(28)31-20(13)25-14(4-6-16(25)26)19(27)24-12-8-10(22)7-11(23)9-12/h3,5,7-9,14,20H,4,6H2,1-2H3,(H,24,27)	C21H18Cl2N2O6	465.283	8	1	94.17	4	6	0	-0.2538	4.09139	2.67	3.092	60.9986	115.4147	3.0427	381.975188894168
Cond-002390	NPD2486	NPD2486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0576458405	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(C2=O)c1ccc(OC)cc1	InChI=1S/C29H23ClN4O4/c1-38-18-9-7-17(8-10-18)34-26(35)24-23(12-15-14-31-21-5-3-2-4-19(15)21)33-29(25(24)27(34)36)20-13-16(30)6-11-22(20)32-28(29)37/h2-11,13-14,23-25,31,33H,12H2,1H3,(H,32,37)/t23?,24-,25+,29?/m1/s1	C29H23ClN4O4	526.97	8	3	103.53	7	4	0	-2.1037	4.99557000000001	3.66	3.826	57.1654	148.0244	3.63190000000001	440.12985424028
Cond-002391	NPD2487	NPD2487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4610813731	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)N1CCC(CC1)C(=O)N	InChI=1S/C22H22N2O5/c1-13-18(28-12-19(25)24-10-8-14(9-11-24)21(23)26)7-6-16-15-4-2-3-5-17(15)22(27)29-20(13)16/h2-7,14H,8-12H2,1H3,(H2,23,26)	C22H22N2O5	394.42	7	2	98.93	4	5	0	-1.7721	3.09	3.11	2.657	51.7271	112.7634	2.8801	360.058811278607
Cond-002392	NPD2488	NPD2488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.3548498447	[C@@H]12C(NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccccc1)C2=O)C(C)C	InChI=1S/C25H26ClN3O3/c1-13(2)20-18-19(23(31)29(22(18)30)10-9-15-7-5-4-6-8-15)25(28-20)16-11-14(3)12-17(26)21(16)27-24(25)32/h4-8,11-13,18-20,28H,9-10H2,1-3H3,(H,27,32)/t18-,19-,20?,25?/m0/s1	C25H26ClN3O3	451.945	6	2	78.51	5	4	0	-0.211799999999999	3.53471	3.44	4.74	70.6181	123.9814	3.299	408.217681032886
Cond-002393	NPD2489	NPD2489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.609297725	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NC(C)C)c12	InChI=1S/C21H27NO5/c1-6-13-9-18(24)26-20-14-7-8-21(4,5)27-15(14)10-16(19(13)20)25-11-17(23)22-12(2)3/h9-10,12H,6-8,11H2,1-5H3,(H,22,23)	C21H27NO5	373.443	6	1	73.86	3	6	0	0.200799999999999	4.45876000000001	3.11	3.26	79.1878	108.4497	2.877	362.931901247774
Cond-002394	NPD249	NPD249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3146446839	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C35H44N2O6/c1-34-16-14-23(38)19-22(34)8-9-25-26-10-11-30(35(26,2)17-15-27(25)34)43-32(40)13-12-31(39)37-29(33(41)42-3)18-21-20-36-28-7-5-4-6-24(21)28/h4-7,19-20,25-27,29-30,36H,8-18H2,1-3H3,(H,37,39)/t25?,26?,27?,29?,30?,34-,35-/m0/s1	C35H44N2O6	588.734	8	2	114.56	6	11	2	-0.438399999999998	5.67547000000001	4.43	5.628	125.6817	166.2197	4.5533	568.983920713835
Cond-002395	NPD2491	NPD2491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.550919412	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(C)cc1)c1ccc(C)cc1	InChI=1S/C35H30N4O3/c1-21-11-15-23(16-12-21)20-36-33(40)26-8-4-6-10-29(26)39-34(41)30-19-27-25-7-3-5-9-28(25)37-31(27)32(38(30)35(39)42)24-17-13-22(2)14-18-24/h3-18,30,32,37H,19-20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O3	554.638	7	2	85.51	7	6	1	-0.6559	4.83122000000001	4.54	9.28900000000001	52.9281	162.1647	4.16720000000001	501.095091422086
Cond-002396	NPD2492	NPD2492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1944926817	Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C26H27NO6S/c1-16-11-21(24-18-9-5-6-10-19(18)26(31)33-22(24)12-16)32-13-23(28)27-20(25(29)30)15-34-14-17-7-3-2-4-8-17/h2-4,7-8,11-12,20H,5-6,9-10,13-15H2,1H3,(H,27,28)(H,29,30)/t20-/m0/s1	C26H27NO6S	481.561	7	2	127.23	4	10	1	-0.597499999999997	4.05529	3.44	5.741	76.6088	132.2565	3.5231	442.908781631269
Cond-002397	NPD2493	NPD2493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9154214134	Cc1c(CC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C28H20ClNO6/c1-15-19-11-21-22(16-7-9-18(29)10-8-16)14-35-23(21)13-24(19)36-28(34)20(15)12-25(31)30-26(27(32)33)17-5-3-2-4-6-17/h2-11,13-14,26H,12H2,1H3,(H,30,31)(H,32,33)/t26-/m0/s1	C28H20ClNO6	501.914	7	2	105.84	5	7	1	0.2208	6.03717	3.66	5.821	49.4397	138.8155	3.48320000000001	429.500501091835
Cond-002398	NPD2494	NPD2494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.684935602	CCC(=O)Oc1ccc2C(=O)/C(=C/c3c(OC)cc(OC)c(OC)c3)/Oc2c1	InChI=1S/C21H20O7/c1-5-20(22)27-13-6-7-14-16(10-13)28-19(21(14)23)9-12-8-17(25-3)18(26-4)11-15(12)24-2/h6-11H,5H2,1-4H3/b19-9-	C21H20O7	384.379	7	0	80.29	3	7	0	-0.557299999999999	4.69676	3	3.487	55.2984	107.7045	2.7656	350.70621833833
Cond-002399	NPD2495	NPD2495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5171376436	COc1c(OC)c(OC)c(/C=C/2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1	InChI=1S/C24H20O8S/c1-28-19-12-9-15(23(29-2)24(19)30-3)13-21-22(25)18-11-10-16(14-20(18)31-21)32-33(26,27)17-7-5-4-6-8-17/h4-14H,1-3H3/b21-13-	C24H20O8S	468.476	8	0	105.74	4	7	0	-0.9451	4.89666	3.11	4.187	48.5506	119.448	3.2159	401.364046871691
Cond-002400	NPD2496	NPD2496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8480856319	COc1c(cccc1)C1CN2C(=O)CN(Cc3c(Cl)cccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H26ClN3O3/c1-29-27-26(20-11-4-7-13-23(20)31-27)21(19-10-5-8-14-24(19)36-2)16-33(29)25(34)17-32(28(29)35)15-18-9-3-6-12-22(18)30/h3-14,21,31H,15-17H2,1-2H3/t21?,29-/m0/s1	C29H26ClN3O3	499.988	6	1	65.64	6	4	1	-1.0558	4.57619000000001	3.88	5.49	56.7092	141.591	3.625	435.335784733153
Cond-002401	NPD2497	NPD2497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7275506682	Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C25H20FNO6/c1-13-16-9-18-19(14-4-6-15(26)7-5-14)12-32-21(18)11-22(16)33-25(31)17(13)10-23(28)27-8-2-3-20(27)24(29)30/h4-7,9,11-12,20H,2-3,8,10H2,1H3,(H,29,30)/t20-/m0/s1	C25H20FNO6	449.428	7	1	97.05	5	5	0	-0.608200000000001	4.99747000000001	3.33	3.424	55.232	121.9508	3.0848	387.278414396508
Cond-002402	NPD2498	NPD2498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2277535781	CCCCc1cc(=O)oc2c3CN(Cc4cc(Cl)ccc4)COc3ccc12	InChI=1S/C22H22ClNO3/c1-2-3-6-16-11-21(25)27-22-18(16)8-9-20-19(22)13-24(14-26-20)12-15-5-4-7-17(23)10-15/h4-5,7-11H,2-3,6,12-14H2,1H3	C22H22ClNO3	383.868	4	0	38.77	4	5	1	0.244199999999999	5.61317	3.33	5.555	55.6934	110.83	2.8283	349.329124140552
Cond-002403	NPD2499	NPD2499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	88.6892848426	COc1cc(CNC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)ccc1	InChI=1S/C24H23NO5/c1-14-13-29-21-11-22-20(10-19(14)21)15(2)18(24(27)30-22)7-8-23(26)25-12-16-5-4-6-17(9-16)28-3/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	7	0	0.537599999999999	4.47099	3.44	3.48	55.6775	115.6437	3.0191	370.117561621374
Cond-002404	NPD25	NPD25	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9155078704	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1)c(=O)c(c(C)o2)c1cc2c(OCCO2)cc1	InChI=1S/C32H31NO8/c1-19(2)15-25(33-32(36)39-18-21-7-5-4-6-8-21)31(35)41-23-10-11-24-27(17-23)40-20(3)29(30(24)34)22-9-12-26-28(16-22)38-14-13-37-26/h4-12,16-17,19,25H,13-15,18H2,1-3H3,(H,33,36)	C32H31NO8	557.59	9	1	109.39	5	11	2	0.0698999999999996	5.78796000000001	3.99	7.528	75.6255	155.2252	4.0848	514.590283926792
Cond-002405	NPD250	NPD250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7980705571	COc1c(O[C@@H]2O[C@@H](COC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)ccc(c1)C(=O)NC(C)C1COc2c(O1)cccc2	InChI=1S/C32H37NO14/c1-16(26-14-41-22-9-7-8-10-23(22)45-26)33-31(38)21-11-12-24(25(13-21)39-6)46-32-30(44-20(5)37)29(43-19(4)36)28(42-18(3)35)27(47-32)15-40-17(2)34/h7-13,16,26-30,32H,14-15H2,1-6H3,(H,33,38)/t16?,26?,27-,28-,29+,30-,32+/m0/s1	C32H37NO14	659.634	15	1	180.45	4	16	2	-1.7235	3.35087000000001	3.33	2.966	106.9861	166.2242	4.63160000000001	595.861020232556
Cond-002406	NPD2500	NPD2500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0620451282	[C@H]1(Cc2c(CN1C(=O)COc1ccc3c(oc(=O)c(C)c3C)c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C26H24N2O6/c1-14-15(2)25(30)34-23-10-16(8-9-17(14)23)33-13-24(29)28-12-21-19(11-22(28)26(31)32-3)18-6-4-5-7-20(18)27-21/h4-10,22,27H,11-13H2,1-3H3/t22-/m0/s1	C26H24N2O6	460.479	8	1	97.93	5	6	0	-0.213499999999998	3.52136000000001	3.44	3.565	66.9857	129.156	3.3078	409.503600380236
Cond-002407	NPD2501	NPD2501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6640459557	CCCCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C30H29NO6/c1-3-4-15-25(31-30(34)35-19-21-11-7-5-8-12-21)29(33)36-26-17-16-23-24(22-13-9-6-10-14-22)18-27(32)37-28(23)20(26)2/h5-14,16-18,25H,3-4,15,19H2,1-2H3,(H,31,34)	C30H29NO6	499.554	7	1	90.93	4	12	2	-0.416899999999999	6.22389000000001	3.99	9.887	58.5702	143.7617	3.7942	474.774319974736
Cond-002408	NPD2502	NPD2502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5590755131	Clc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCCCC1	InChI=1S/C24H22ClN3O/c25-19-12-6-4-11-17(19)22-23-18(16-10-5-7-13-20(16)27-23)14-21(28-22)24(29)26-15-8-2-1-3-9-15/h4-7,10-15,27H,1-3,8-9H2,(H,26,29)	C24H22ClN3O	403.904	4	2	57.78	5	4	1	-1.8013	6.44427	3.55	6.37	34.313	124.8047	2.9977	348.904784305097
Cond-002409	NPD2503	NPD2503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5860632503	Cc1c(CC(=O)NCCc2c[nH]c3ccccc23)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C22H19ClN2O4/c1-12-15-8-17(23)19(26)10-20(15)29-22(28)16(12)9-21(27)24-7-6-13-11-25-18-5-3-2-4-14(13)18/h2-5,8,10-11,25-26H,6-7,9H2,1H3,(H,24,27)	C22H19ClN2O4	410.85	6	3	91.42	4	6	0	0.1583	4.44366	3.11	3.149	52.3071	116.6905	2.9008	352.94319364768
Cond-002410	NPD2504	NPD2504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4518419885	COc1ccc(cc1OC)c1coc2c(C[NH+](C)C)c([O-])ccc2c1=O	InChI=1S/C20H21NO5/c1-21(2)10-14-16(22)7-6-13-19(23)15(11-26-20(13)14)12-5-8-17(24-3)18(9-12)25-4/h5-9,11,22H,10H2,1-4H3	C20H21NO5	355.384	6	1	72.26	3	5	0	-2.7921	1.03978	3	1.933	46.0425	98.4147	2.6501	329.462999220307
Cond-002411	NPD2505	NPD2505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7280647169	CCc1cc(=O)oc2c3CN(CCc4cc(OC)c(OC)cc4)COc3c(Cl)cc12	InChI=1S/C23H24ClNO5/c1-4-15-10-21(26)30-22-16(15)11-18(24)23-17(22)12-25(13-29-23)8-7-14-5-6-19(27-2)20(9-14)28-3/h5-6,9-11H,4,7-8,12-13H2,1-3H3	C23H24ClNO5	429.893	6	0	57.23	4	6	0	1.1654	5.23217	3.22	3.887	68.54	120.323	3.0866	384.205562167541
Cond-002412	NPD2506	NPD2506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0482218955	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC	InChI=1S/C24H21ClN4O6/c1-2-35-22(33)11-3-6-13(7-4-11)29-20(31)18-16(10-17(26)30)28-24(19(18)21(29)32)14-9-12(25)5-8-15(14)27-23(24)34/h3-9,16,18-19,28H,2,10H2,1H3,(H2,26,30)(H,27,34)/t16?,18-,19+,24?/m1/s1	C24H21ClN4O6	496.9	10	4	147.9	5	6	0	-2.0323	1.59919	2.89	1.205	69.9571	127.1188	3.348	423.016219315269
Cond-002413	NPD2507	NPD2507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6959098992	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)O	InChI=1S/C30H34N4O5/c1-15(2)13-22(30(38)39)32-28(36)24(16(3)4)33-27(35)23-14-20-17-9-7-8-12-21(17)31-25(20)26-18-10-5-6-11-19(18)29(37)34(23)26/h5-12,15-16,22-24,26,31H,13-14H2,1-4H3,(H,32,36)(H,33,35)(H,38,39)/t22-,23+,24+,26?/m1/s1	C30H34N4O5	530.615	9	4	131.6	5	10	1	-1.6225	3.19348000000001	3.77	5.025	84.0629	149.0467	4.01230000000001	491.890832599475
Cond-002414	NPD2508	NPD2508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8349910242	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C22H33N3O4S/c1-30-12-11-18(23)21(27)24-14-16-7-9-17(10-8-16)20(26)25-19(22(28)29)13-15-5-3-2-4-6-15/h2-6,16-19H,7-14,23H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17-,18-,19-/m0/s1	C22H33N3O4S	435.58	7	5	146.82	2	13	1	-1.5114	2.03539	3	1.764	87.8932	122.3876	3.4309	424.296662347814
Cond-002415	NPD2509	NPD2509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.2475247525	COc1ccc(/C=C\2/Oc3c(ccc(OCC(=O)N[C@H](CC(C)C)C(=O)O)c3)C2=O)cc1	InChI=1S/C24H25NO7/c1-14(2)10-19(24(28)29)25-22(26)13-31-17-8-9-18-20(12-17)32-21(23(18)27)11-15-4-6-16(30-3)7-5-15/h4-9,11-12,14,19H,10,13H2,1-3H3,(H,25,26)(H,28,29)/b21-11+/t19-/m1/s1	C24H25NO7	439.458	8	2	111.16	3	10	0	-1.0078	4.35846000000001	3.22	4.416	66.8115	123.191	3.2451	410.954473723297
Cond-002416	NPD251	NPD251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5223917938	COc1c(COc2ccccc2F)cc(cc1)C1NC(Cc2c1[nH]cn2)C(=O)O	InChI=1S/C21H20FN3O4/c1-28-17-7-6-12(8-13(17)10-29-18-5-3-2-4-14(18)22)19-20-15(23-11-24-20)9-16(25-19)21(26)27/h2-8,11,16,19,25H,9-10H2,1H3,(H,23,24)(H,26,27)	C21H20FN3O4	397.4	7	3	96.47	4	6	0	-0.747099999999999	3.80077	2.89	2.944	39.5114	110.3705	2.798	340.136919010653
Cond-002417	NPD2510	NPD2510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.3658774713	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCCC(=O)O)ccc12	InChI=1S/C21H19NO7/c1-27-14-4-2-13(3-5-14)17-11-21(26)29-18-10-15(6-7-16(17)18)28-12-19(23)22-9-8-20(24)25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23)(H,24,25)	C21H19NO7	397.378	8	2	111.16	3	9	0	-1.1615	2.56757	2.89	2.494	52.7342	107.1495	2.8224	359.066519845696
Cond-002418	NPD2512	NPD2512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.713130056	Cc1c(C)c2cc3c(OCN(Cc4ccc(F)cc4)C3)c(C)c2oc1=O	InChI=1S/C21H20FNO3/c1-12-13(2)21(24)26-20-14(3)19-16(8-18(12)20)10-23(11-25-19)9-15-4-6-17(22)7-5-15/h4-8H,9-11H2,1-3H3	C21H20FNO3	353.387	4	0	38.77	4	2	0	2.279	4.34669000000001	3.22	4.109	49.7243	100.184	2.5827	322.889630594558
Cond-002419	NPD2514	NPD2514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6646419124	Cc1c(Cc2ccccc2)c(=O)oc2c3CN(COc3ccc12)c1ccc(OCc2ccccc2)cc1	InChI=1S/C32H27NO4/c1-22-27-16-17-30-29(31(27)37-32(34)28(22)18-23-8-4-2-5-9-23)19-33(21-36-30)25-12-14-26(15-13-25)35-20-24-10-6-3-7-11-24/h2-17H,18-21H2,1H3	C32H27NO4	489.561	5	0	48	6	6	1	0.8174	7.51286000000001	4.43	9.93	44.0677	149.192	3.6984	453.536459722947
Cond-002420	NPD2515	NPD2515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.6113838563	CCC[NH+](CCC)Cc1cc(=O)oc2cc(c([O-])cc12)c1ccccc1	InChI=1S/C22H25NO3/c1-3-10-23(11-4-2)15-17-12-22(25)26-21-14-18(20(24)13-19(17)21)16-8-6-5-7-9-16/h5-9,12-14,24H,3-4,10-11,15H2,1-2H3	C22H25NO3	351.439	4	1	53.8	3	7	1	-2.6022	3.03487000000001	3.44	5.33	47.0723	106.2077	2.8145	346.474515070919
Cond-002421	NPD2516	NPD2516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9471064095	CCCc1cc(=O)oc2c3CN(CCc4cc(OC)c(OC)cc4)COc3c(Cl)cc12	InChI=1S/C24H26ClNO5/c1-4-5-16-11-22(27)31-23-17(16)12-19(25)24-18(23)13-26(14-30-24)9-8-15-6-7-20(28-2)21(10-15)29-3/h6-7,10-12H,4-5,8-9,13-14H2,1-3H3	C24H26ClNO5	443.92	6	0	57.23	4	7	0	0.6842	5.62227	3.33	4.456	71.8652	124.94	3.2275	401.501546793408
Cond-002422	NPD2517	NPD2517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.28533073	CC(Oc1cc(O)c2c(=O)c3c(oc2c1)cccc3)C(=O)c1ccccc1	InChI=1S/C22H16O5/c1-13(21(24)14-7-3-2-4-8-14)26-15-11-17(23)20-19(12-15)27-18-10-6-5-9-16(18)22(20)25/h2-13,23H,1H3	C22H16O5	360.359	5	1	72.83	4	4	1	-1.4019	4.84828	3.33	5.226	25.7163	104.0003	2.5945	321.892373460674
Cond-002423	NPD2518	NPD2518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0327211105	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C1CCCC1)C2=O	InChI=1S/C21H23N3O5/c25-15(26)10-9-14-16-17(19(28)24(18(16)27)11-5-1-2-6-11)21(23-14)12-7-3-4-8-13(12)22-20(21)29/h3-4,7-8,11,14,16-17,23H,1-2,5-6,9-10H2,(H,22,29)(H,25,26)/t14?,16-,17+,21?/m1/s1	C21H23N3O5	397.424	8	3	115.81	5	4	0	-4.1336	1.76199	2.89	0.923	65.793	104.6062	2.8164	357.576045561708
Cond-002424	NPD2519	NPD2519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.920185363	Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C21H23NO6/c1-11-12(5-6-18(23)22-9-19(24)25)20(26)28-17-8-16-14(7-13(11)17)15(10-27-16)21(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,22,23)(H,24,25)	C21H23NO6	385.41	7	2	105.84	3	7	0	1.0504	4.13848000000001	3	2.714	69.0555	108.3265	2.8497	355.549210546735
Cond-002425	NPD252	NPD252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3255747401	COc1cc2c([nH]c3c2CCNC3c2ccc(Br)cc2)cc1	InChI=1S/C18H17BrN2O/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11/h2-7,10,17,20-21H,8-9H2,1H3	C18H17BrN2O	357.244	3	2	37.05	4	2	0	0.213	4.29509	3	4.066	35.0768	94.6377000000001	2.3427	269.370502352062
Cond-002426	NPD2520	NPD2520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5074183976	COc1cc(c(OC)cc1)c1c(C)c2ccc([O-])c(C[NH+]3CCN(C)CC3)c2oc1=O	InChI=1S/C24H28N2O5/c1-15-17-6-7-20(27)19(14-26-11-9-25(2)10-12-26)23(17)31-24(28)22(15)18-13-16(29-3)5-8-21(18)30-4/h5-8,13,27H,9-12,14H2,1-4H3	C24H28N2O5	424.49	7	1	75.5	4	5	0	-1.5406	2.38597	3.33	2.026	66.4595	121.6577	3.2049	397.287239231141
Cond-002427	NPD2521	NPD2521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.191411043	COc1cc(Oc2c(C)oc3cc(OC(=O)c4ccc5OCOc5c4)ccc3c2=O)ccc1	InChI=1S/C25H18O8/c1-14-24(32-17-5-3-4-16(11-17)28-2)23(26)19-8-7-18(12-21(19)31-14)33-25(27)15-6-9-20-22(10-15)30-13-29-20/h3-12H,13H2,1-2H3	C25H18O8	446.406	8	0	89.52	5	6	1	-1.0039	6.42644	3.33	5.4	44.3703	126.2415	3.0417	385.158090038357
Cond-002428	NPD2522	NPD2522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5349330274	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCc3ccco3)c(C)c1c2	InChI=1S/C21H19NO5/c1-11-13(3)26-18-9-19-16(7-15(11)18)12(2)17(21(24)27-19)8-20(23)22-10-14-5-4-6-25-14/h4-7,9H,8,10H2,1-3H3,(H,22,23)	C21H19NO5	365.379	6	1	81.68	4	5	0	0.812400000000001	3.65491	3.11	2.859	50.8479	105.2387	2.6394	320.866066444574
Cond-002429	NPD2523	NPD2523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.9616716924	CC1CC[NH+](Cc2c3oc(=O)cc(c4cc5c(oc4=O)ccc(Cl)c5)c3ccc2[O-])CC1	InChI=1S/C25H22ClNO5/c1-14-6-8-27(9-7-14)13-20-21(28)4-3-17-18(12-23(29)32-24(17)20)19-11-15-10-16(26)2-5-22(15)31-25(19)30/h2-5,10-12,14,28H,6-9,13H2,1H3	C25H22ClNO5	451.899	6	1	80.1	5	3	0	-1.646	3.88816	3.44	4.339	64.816	123.2957	3.1738	401.168155316874
Cond-002430	NPD2525	NPD2525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.0376212403	CCOc1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C25H21NO4/c1-2-28-19-10-8-18(9-11-19)26-15-22-23(29-16-26)13-12-20-21(14-24(27)30-25(20)22)17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3	C25H21NO4	399.439	5	0	48	5	4	1	0.1492	6.08756	3.66	7.061	40.3879	121.124	2.9497	363.63040214508
Cond-002431	NPD2526	NPD2526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.069370383	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1c(OC)cccc1	InChI=1S/C36H32N4O4/c1-44-31-18-10-5-13-23(31)21-37-34(41)29(19-22-11-3-2-4-12-22)39-35(42)30-20-27-24-14-8-9-17-28(24)38-32(27)33-25-15-6-7-16-26(25)36(43)40(30)33/h2-18,29-30,33,38H,19-21H2,1H3,(H,37,41)(H,39,42)/t29-,30-,33?/m0/s1	C36H32N4O4	584.664	8	3	103.53	7	10	1	-2.6048	4.49489000000001	4.54	8.334	57.4268	171.7894	4.36680000000001	527.181302748513
Cond-002432	NPD2527	NPD2527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.7268206725	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(C)C)C(=O)O	InChI=1S/C29H33N5O6/c1-15(2)23(26(36)33-24(16(3)4)28(38)39)32-25(35)22(13-17-14-30-20-11-7-5-9-18(17)20)34-27(37)19-10-6-8-12-21(19)31-29(34)40/h5-12,14-16,22-24,30H,13H2,1-4H3,(H,31,40)(H,32,35)(H,33,36)(H,38,39)/t22-,23-,24-/m0/s1	C29H33N5O6	547.602	11	5	164.19	4	12	2	-1.3909	3.20157000000001	3.44	4.287	84.6907	154.8305	4.09550000000001	504.101834882336
Cond-002433	NPD2528	NPD2528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.583924466	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1c(Cl)cccc1	InChI=1S/C35H29ClN4O3/c36-27-16-8-4-12-22(27)20-37-33(41)29(18-21-10-2-1-3-11-21)39-34(42)30-19-26-23-13-7-9-17-28(23)38-31(26)32-24-14-5-6-15-25(24)35(43)40(30)32/h1-17,29-30,32,38H,18-20H2,(H,37,41)(H,39,42)/t29-,30-,32?/m0/s1	C35H29ClN4O3	589.083	7	3	94.3	7	9	1	-1.8087	4.58419000000001	4.43	8.874	55.7266	167.9204	4.28960000000001	516.306159192519
Cond-002434	NPD2529	NPD2529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	38.0096340071	COc1c(Cl)cc2c(oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c2C)c1	InChI=1S/C23H22ClNO6S/c1-13-15-8-17(24)20(30-2)10-19(15)31-23(29)16(13)9-21(26)25-18(22(27)28)12-32-11-14-6-4-3-5-7-14/h3-8,10,18H,9,11-12H2,1-2H3,(H,25,26)(H,27,28)/t18-/m0/s1	C23H22ClNO6S	475.942	7	2	127.23	3	10	0	0.9369	4.14647	3	4.745	72.3543	126.5065	3.3314	418.588354224902
Cond-002435	NPD253	NPD253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.5785491346	Oc1ccc(cc1)C(CC(=O)NCC1OCCc2c1cccc2)c1ccccc1	InChI=1S/C25H25NO3/c27-21-12-10-20(11-13-21)23(18-6-2-1-3-7-18)16-25(28)26-17-24-22-9-5-4-8-19(22)14-15-29-24/h1-13,23-24,27H,14-17H2,(H,26,28)	C25H25NO3	387.471	4	2	58.56	4	7	1	-1.1169	4.22049000000001	3.77	7.428	37.2282	114.3955	3.04260000000001	369.833092846119
Cond-002436	NPD2530	NPD2530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.282747134	Fc1c(CN2COc3ccc4c(oc(=O)c5c4cccc5)c3C2)c(Cl)ccc1	InChI=1S/C22H15ClFNO3/c23-18-6-3-7-19(24)16(18)10-25-11-17-20(27-12-25)9-8-14-13-4-1-2-5-15(13)22(26)28-21(14)17/h1-9H,10-12H2	C22H15ClFNO3	395.811	4	0	38.77	5	2	1	1.0207	5.42488	3.22	5.842	30.9552	109.77	2.6514	326.867306888458
Cond-002437	NPD2531	NPD2531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	88.036061778	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(Cc1ccc(Cl)cc1)C2	InChI=1S/C25H20ClNO3/c1-16-24-19(14-27(15-29-24)13-17-7-9-20(26)10-8-17)11-22-21(12-23(28)30-25(16)22)18-5-3-2-4-6-18/h2-12H,13-15H2,1H3	C25H20ClNO3	417.884	4	0	38.77	5	3	1	1.3485	5.49929	3.66	7.233	44.6082	120.489	3.0134	370.051243214952
Cond-002438	NPD2532	NPD2532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3023622824	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1ccc(C)cc1	InChI=1S/C24H24N4O3/c1-3-27-13-12-17-16-6-4-5-7-18(16)25-20(17)21(27)19-22(29)26-24(31)28(23(19)30)15-10-8-14(2)9-11-15/h4-11,21,25,29H,3,12-13H2,1-2H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	3	0	0.7715	4.01247000000001	3.33	4.584	59.5886	124.1846	3.0925	373.170930143952
Cond-002439	NPD2533	NPD2533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.746887967	Cc1ccc(cc1)c1coc2cc3c(cc12)c(C)c(CC(=O)NCCCCCC(=O)O)c(=O)o3	InChI=1S/C27H27NO6/c1-16-7-9-18(10-8-16)22-15-33-23-14-24-19(12-21(22)23)17(2)20(27(32)34-24)13-25(29)28-11-5-3-4-6-26(30)31/h7-10,12,14-15H,3-6,11,13H2,1-2H3,(H,28,29)(H,30,31)	C27H27NO6	461.506	7	2	105.84	4	10	1	-0.541999999999998	5.75470000000001	3.66	5.324	63.9996	133.4375	3.4575	428.159283498736
Cond-002440	NPD2534	NPD2534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5365156073	COc1cccc(/C=C/2\Oc3c(C[NH+]4CCOCC4)c([O-])ccc3C2=O)c1OC	InChI=1S/C22H23NO6/c1-26-18-5-3-4-14(21(18)27-2)12-19-20(25)15-6-7-17(24)16(22(15)29-19)13-23-8-10-28-11-9-23/h3-7,12,24H,8-11,13H2,1-2H3/b19-12-	C22H23NO6	397.421	7	1	81.49	4	5	0	-2.8346	0.810380000000004	3.11	1.921	56.4231	107.1197	2.882	360.488736471802
Cond-002441	NPD2535	NPD2535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.99009901	COc1cc(/C=C\2/Oc3c(ccc(OCC(=O)N[C@@H](CCSC)C(=O)O)c3)C2=O)c(OC)cc1	InChI=1S/C24H25NO8S/c1-30-15-5-7-19(31-2)14(10-15)11-21-23(27)17-6-4-16(12-20(17)33-21)32-13-22(26)25-18(24(28)29)8-9-34-3/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,25,26)(H,28,29)/b21-11+/t18-/m0/s1	C24H25NO8S	487.522	9	2	145.69	3	12	1	-1.4716	4.07406	3	3.508	76.5217	133.287	3.4673	438.253724481458
Cond-002442	NPD2536	NPD2536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.509661954	CSCC[C@H](NC(=O)Nc1cc(ccc1)c1cc2c(oc1=O)cccc2)C(=O)O	InChI=1S/C21H20N2O5S/c1-29-10-9-17(19(24)25)23-21(27)22-15-7-4-6-13(11-15)16-12-14-5-2-3-8-18(14)28-20(16)26/h2-8,11-12,17H,9-10H2,1H3,(H,24,25)(H2,22,23,27)/t17-/m0/s1	C21H20N2O5S	412.459	7	3	130.03	3	9	0	-0.427	3.91707	2.89	4.976	56.9889	116.4172	2.9683	370.991850710341
Cond-002443	NPD2537	NPD2537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.4162783163	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(Cl)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(C)cc1	InChI=1S/C29H24ClN3O3/c1-16-8-10-17(11-9-16)25(34)24-23-7-4-14-33(23)29(20-15-18(30)12-13-22(20)32-27(29)36)28(24)19-5-2-3-6-21(19)31-26(28)35/h2-3,5-6,8-13,15,23-24H,4,7,14H2,1H3,(H,31,35)(H,32,36)/t23-,24-,28+,29+/m0/s1	C29H24ClN3O3	497.972	6	2	78.51	7	2	1	-1.5481	5.5303	3.88	5.009	56.7231	139.3569	3.5164	433.879326032352
Cond-002444	NPD2538	NPD2538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5957362024	COc1ccc(cc1)/C=C/1\Oc2c(ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)c2)C1=O	InChI=1S/C24H25NO7/c1-14(2)10-19(24(28)29)25-22(26)13-31-17-8-9-18-20(12-17)32-21(23(18)27)11-15-4-6-16(30-3)7-5-15/h4-9,11-12,14,19H,10,13H2,1-3H3,(H,25,26)(H,28,29)/b21-11-/t19-/m0/s1	C24H25NO7	439.458	8	2	111.16	3	10	0	-1.0078	4.35846000000001	3.22	4.416	66.8115	123.191	3.2451	410.954473723297
Cond-002445	NPD2539	NPD2539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.6169406426	CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC(CC1)C(=O)O	InChI=1S/C28H32N4O6S/c1-39-16-13-22(26(35)31-14-11-19(12-15-31)27(36)37)29-24(33)23(17-18-7-3-2-4-8-18)32-25(34)20-9-5-6-10-21(20)30-28(32)38/h2-10,19,22-23H,11-17H2,1H3,(H,29,33)(H,30,38)(H,36,37)/t22-,23-/m0/s1	C28H32N4O6S	552.642	10	3	164.91	4	12	2	-2.2402	2.99188	3.33	5.499	89.5155	152.1968	4.0613	507.854572806703
Cond-002446	NPD254	NPD254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.7504469247	CC(=O)O[C@@H]1CC2C3CC(=O)c4c(ccc(OC(=O)C)c4)C3CC[C@]2(C)C1OC(=O)C	InChI=1S/C24H28O7/c1-12(25)29-15-5-6-16-17-7-8-24(4)20(18(17)10-21(28)19(16)9-15)11-22(30-13(2)26)23(24)31-14(3)27/h5-6,9,17-18,20,22-23H,7-8,10-11H2,1-4H3/t17?,18?,20?,22-,23?,24+/m1/s1	C24H28O7	428.475	7	0	95.97	4	6	0	-0.102300000000004	4.26147000000001	3.33	3.919	83.6795	114.5235	3.1657	406.41063091673
Cond-002447	NPD2540	NPD2540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.1948068145	COC(=O)c1ccc(COc2cc3c(cc2)c(cc(=O)o3)c2cc3c(oc2=O)c(OC)ccc3)cc1	InChI=1S/C28H20O8/c1-32-23-5-3-4-18-12-22(28(31)36-26(18)23)21-14-25(29)35-24-13-19(10-11-20(21)24)34-15-16-6-8-17(9-7-16)27(30)33-2/h3-14H,15H2,1-2H3	C28H20O8	484.454	8	0	97.36	5	7	1	0.0723999999999994	4.39556	3.66	5.396	56.3408	131.1975	3.3784	431.773126514358
Cond-002448	NPD2541	NPD2541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.207920792	COc1cc(/C=C\2/Oc3c(ccc(OCC(=O)N[C@H](CC(C)C)C(=O)O)c3)C2=O)c(OC)cc1	InChI=1S/C25H27NO8/c1-14(2)9-19(25(29)30)26-23(27)13-33-17-5-7-18-21(12-17)34-22(24(18)28)11-15-10-16(31-3)6-8-20(15)32-4/h5-8,10-12,14,19H,9,13H2,1-4H3,(H,26,27)(H,29,30)/b22-11+/t19-/m1/s1	C25H27NO8	469.484	9	2	120.39	3	11	1	-1.0596	4.36706000000001	3.22	3.972	74.1273	129.743	3.4447	437.040685049725
Cond-002449	NPD2542	NPD2542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.1773929324	Cc1ccc(cc1)C1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H26FN3O2/c1-18-7-11-20(12-8-18)23-16-33-25(34)17-32(15-19-9-13-21(30)14-10-19)28(35)29(33,2)27-26(23)22-5-3-4-6-24(22)31-27/h3-14,23,31H,15-17H2,1-2H3/t23?,29-/m0/s1	C29H26FN3O2	467.534	5	1	56.41	6	3	1	-0.6266	4.08131000000001	3.99	6.753	50.1524	133.627	3.4616	417.402049112465
Cond-002450	NPD2543	NPD2543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.690956214	CC1Oc2ccccc2C=C1/C=C/1\Oc2cc(OC(=O)c3ccc(C)cc3)ccc2C1=O	InChI=1S/C27H20O5/c1-16-7-9-18(10-8-16)27(29)31-21-11-12-22-24(15-21)32-25(26(22)28)14-20-13-19-5-3-4-6-23(19)30-17(20)2/h3-15,17H,1-2H3/b25-14-	C27H20O5	424.445	5	0	61.83	5	4	1	0.273000000000001	5.97077	3.88	7.843	48.4194	124.8445	3.10440000000001	390.742920487608
Cond-002451	NPD2544	NPD2544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3029045643	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C26H29N3O5S/c1-14(2)20(22(30)27-12-15-9-10-18-19(11-15)34-13-33-18)28-23(31)21-26(3,4)35-25-17-8-6-5-7-16(17)24(32)29(21)25/h5-11,14,20-21,25H,12-13H2,1-4H3,(H,27,30)(H,28,31)/t20-,21+,25?/m0/s1	C26H29N3O5S	495.591	8	2	122.27	5	8	0	-0.6199	3.06419	3.33	3.94	80.1612	135.8054	3.5984	446.392075347042
Cond-002452	NPD2545	NPD2545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.635924375	Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C21H23NO6/c1-11-12-7-14-15(21(2,3)4)10-27-16(14)9-17(12)28-20(26)13(11)8-18(23)22-6-5-19(24)25/h7,9-10H,5-6,8H2,1-4H3,(H,22,23)(H,24,25)	C21H23NO6	385.41	7	2	105.84	3	7	0	1.2362	4.13848000000001	3	2.703	68.8895	108.3265	2.8497	355.549210546735
Cond-002453	NPD2546	NPD2546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5673910925	CC(C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O)C(=O)O	InChI=1S/C23H26N2O7/c1-11(2)21(22(28)29)25-20(27)9-24-19(26)6-5-14-13(4)16-7-15-12(3)10-31-17(15)8-18(16)32-23(14)30/h7-8,10-11,21H,5-6,9H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t21-/m0/s1	C23H26N2O7	442.462	9	3	134.94	3	10	0	-0.0828000000000019	2.82709	3	1.384	80.4629	118.9732	3.247	407.291708006397
Cond-002454	NPD2547	NPD2547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3500535479	C[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C22H20N4O5/c1-12(21(29)30)24-19(27)18(10-13-11-23-16-8-4-2-6-14(13)16)26-20(28)15-7-3-5-9-17(15)25-22(26)31/h2-9,11-12,18,23H,10H2,1H3,(H,24,27)(H,25,31)(H,29,30)/t12-,18+/m1/s1	C22H20N4O5	420.418	9	4	135.09	4	7	0	-1.6935	2.42467	2.89	3.279	51.2895	118.8978	2.9937	365.879414293341
Cond-002455	NPD2548	NPD2548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8911574691	Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C19H19N3O5S/c1-20-16-6-5-14(8-17(16)27-19(20)24)28(25,26)21-9-12-7-13(11-21)15-3-2-4-18(23)22(15)10-12/h2-6,8,12-13H,7,9-11H2,1H3/t12-,13-/m1/s1	C19H19N3O5S	401.436	8	0	95.61	5	2	0	-1.6859	1.46106	2.56	0.529	77.57	99.123	2.6981	341.493100367574
Cond-002456	NPD2549	NPD2549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7826261814	Cc1coc2c3c(oc(=O)c(CC(=O)NCCCn4ccnc4)c3C)cc(C)c12	InChI=1S/C22H23N3O4/c1-13-9-17-20(21-19(13)14(2)11-28-21)15(3)16(22(27)29-17)10-18(26)24-5-4-7-25-8-6-23-12-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,24,26)	C22H23N3O4	393.436	7	1	86.36	4	7	0	0.905800000000001	3.52641	3.11	2.081	59.5202	110.4357	2.9212	351.365344786213
Cond-002457	NPD255	NPD255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.1416062047	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(=O)O)C3CC=C2C1	InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15?,16?,17?,18?,19?,21-,22-/m0/s1	C22H32O4	360.487	4	1	63.6	4	3	1	0.654200000000002	4.74178000000001	3.44	5.308	96.9758	101.3558	2.8798	366.893816366513
Cond-002458	NPD2550	NPD2550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6774924659	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1	InChI=1S/C33H24ClFN4O3/c34-21-13-9-19(10-14-21)18-36-31(40)24-6-2-4-8-27(24)39-32(41)28-17-25-23-5-1-3-7-26(23)37-29(25)30(38(28)33(39)42)20-11-15-22(35)16-12-20/h1-16,28,30,37H,17-18H2,(H,36,40)/t28-,30?/m0/s1	C33H24ClFN4O3	579.02	7	2	85.51	7	6	1	-0.7159	5.56768000000001	4.1	7.432	48.412	159.8527	4.02550000000001	487.781748791092
Cond-002459	NPD2551	NPD2551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.4807494741	Fc1c(C2CN3C(c4c2c2ccccc2[nH]4)c2c(cccc2)C3=O)c(Cl)ccc1	InChI=1S/C24H16ClFN2O/c25-17-9-5-10-18(26)21(17)16-12-28-23(13-6-1-2-7-14(13)24(28)29)22-20(16)15-8-3-4-11-19(15)27-22/h1-11,16,23,27H,12H2	C24H16ClFN2O	402.848	3	1	36.1	6	1	1	0.0956999999999997	5.2777	3.55	6.258	28.9126	113.268	2.764	328.982665545636
Cond-002460	NPD2552	NPD2552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.4614675784	CCCC[NH+](C)Cc1c2O/C(=C\c3c(OC)cc(OC)c(OC)c3)/C(=O)c2ccc1[O-]	InChI=1S/C24H29NO6/c1-6-7-10-25(2)14-17-18(26)9-8-16-23(27)22(31-24(16)17)12-15-11-20(29-4)21(30-5)13-19(15)28-3/h8-9,11-13,26H,6-7,10,14H2,1-5H3/b22-12-	C24H29NO6	427.49	7	1	81.49	3	9	0	-3.1895	2.21868000000001	3.33	3.227	65.4018	118.8177	3.2724	407.437164424336
Cond-002461	NPD2553	NPD2553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8495947976	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)NCc3cnccc3)c(C)c1c2	InChI=1S/C24H24N2O4/c1-13-16(4)29-22-15(3)23-20(10-19(13)22)14(2)18(24(28)30-23)7-8-21(27)26-12-17-6-5-9-25-11-17/h5-6,9-11H,7-8,12H2,1-4H3,(H,26,27)	C24H24N2O4	404.458	6	1	81.43	4	6	0	1.6709	3.89423000000001	3.44	3.137	59.5963	116.5957	3.0602	372.32409512898
Cond-002462	NPD2554	NPD2554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.798809229	OC(=O)CCCCCNC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C21H21NO6/c23-19(22-11-5-1-2-8-20(24)25)13-27-14-9-10-16-15-6-3-4-7-17(15)21(26)28-18(16)12-14/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,23)(H,24,25)	C21H21NO6	383.395	7	2	101.93	3	10	0	-2.1392	3.80928	3	3.829	45.1298	107.633	2.8067	352.912751845935
Cond-002463	NPD2555	NPD2555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0544369511	[C@@H]12Cc3ccccc3CN1C(=O)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C2=O	InChI=1S/C23H23N3O5/c27-20(24-18(22(29)30)12-15-6-2-1-3-7-15)10-11-25-21(28)19-13-16-8-4-5-9-17(16)14-26(19)23(25)31/h1-9,18-19H,10-14H2,(H,24,27)(H,29,30)/t18-,19-/m0/s1	C23H23N3O5	421.446	8	2	107.02	4	8	0	-1.7572	1.47209	3.11	4.317	59.8949	113.4025	3.0778	385.715097411841
Cond-002464	NPD2556	NPD2556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.4776685803	Cc1c(CC(=O)NCCCCCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C26H24FNO6/c1-15-18-11-20-21(16-6-8-17(27)9-7-16)14-33-22(20)13-23(18)34-26(32)19(15)12-24(29)28-10-4-2-3-5-25(30)31/h6-9,11,13-14H,2-5,10,12H2,1H3,(H,28,29)(H,30,31)	C26H24FNO6	465.47	7	2	105.84	4	10	0	-0.7043	5.86578000000001	3.44	3.905	59.37	129.7555	3.3343	416.930857723175
Cond-002465	NPD2557	NPD2557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6599373906	Cc1c2oc(=O)c(CC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C27H33NO6/c1-14-18-10-20-21(27(3,4)5)13-33-23(20)15(2)24(18)34-26(32)19(14)11-22(29)28-12-16-6-8-17(9-7-16)25(30)31/h10,13,16-17H,6-9,11-12H2,1-5H3,(H,28,29)(H,30,31)/t16?,17-	C27H33NO6	467.554	7	2	105.84	4	7	0	2.415	5.40009000000001	3.66	4.139	94.074	131.7355	3.5865	446.968659601136
Cond-002466	NPD2558	NPD2558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3664518309	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C29H36N4O6/c1-5-18(4)24(26(35)30-22(28(37)38)15-17(2)3)32-25(34)23(16-19-11-7-6-8-12-19)33-27(36)20-13-9-10-14-21(20)31-29(33)39/h6-14,17-18,22-24H,5,15-16H2,1-4H3,(H,30,35)(H,31,39)(H,32,34)(H,37,38)/t18?,22-,23-,24-/m0/s1	C29H36N4O6	536.619	10	4	148.4	3	14	2	-1.3911	3.57718000000001	3.55	7.037	88.9203	150.7345	4.14730000000001	518.99799207577
Cond-002467	NPD2559	NPD2559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.3050908828	CC(O)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C25H27N5O8/c1-13(31)20(24(36)37)29-21(33)17(12-19(26)32)27-22(34)18(11-14-7-3-2-4-8-14)30-23(35)15-9-5-6-10-16(15)28-25(30)38/h2-10,13,17-18,20,31H,11-12H2,1H3,(H2,26,32)(H,27,34)(H,28,38)(H,29,33)(H,36,37)/t13?,17-,18-,20-/m0/s1	C25H27N5O8	525.511	13	7	211.72	3	13	3	-3.1757	-0.25882	2.78	2.095	76.707	137.3167	3.75790000000001	475.754808480791
Cond-002468	NPD256	NPD256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0118892272	CC(C)OC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C23H24O5/c1-14(2)27-21(24)13-26-20-11-10-18-15(3)19(12-17-8-6-5-7-9-17)23(25)28-22(18)16(20)4/h5-11,14H,12-13H2,1-4H3	C23H24O5	380.434	5	0	61.83	3	7	1	1.3309	5.08769000000001	3.44	6.363	57.4434	111.749	2.93	367.717734188941
Cond-002469	NPD2560	NPD2560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.1346135005	COc1ccc(cc1)c1cc(=O)oc2c3CN(COc3ccc12)c1ccc(F)cc1F	InChI=1S/C24H17F2NO4/c1-29-16-5-2-14(3-6-16)18-11-23(28)31-24-17(18)7-9-22-19(24)12-27(13-30-22)21-8-4-15(25)10-20(21)26/h2-11H,12-13H2,1H3	C24H17F2NO4	421.393	5	0	48	5	3	1	0.858199999999999	5.97566	3.33	5.501	37.8391	116.423	2.8442	358.469535219826
Cond-002470	NPD2561	NPD2561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9469334493	Fc1c(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc3c(OCO3)cc2)c(Cl)ccc1	InChI=1S/C26H17ClFN3O3/c27-18-5-3-6-19(28)17(18)12-29-26(32)21-11-16-15-4-1-2-7-20(15)30-25(16)24(31-21)14-8-9-22-23(10-14)34-13-33-22/h1-11,30H,12-13H2,(H,29,32)	C26H17ClFN3O3	473.883	6	2	76.24	6	5	1	-0.1223	6.34086	3.44	5.604	29.4139	135.4637	3.17700000000001	375.978931005058
Cond-002471	NPD2562	NPD2562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.2542105782	[C@@H]12[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccc(CCCC)cc1	InChI=1S/C26H29N3O3S/c1-3-4-7-16-10-12-17(13-11-16)29-23(30)21-20(14-15-33-2)28-26(22(21)24(29)31)18-8-5-6-9-19(18)27-25(26)32/h5-6,8-13,20-22,28H,3-4,7,14-15H2,1-2H3,(H,27,32)/t20-,21+,22-,26-/m0/s1	C26H29N3O3S	463.592	6	2	103.81	5	7	1	-2.484	4.78198000000001	3.55	5.733	73.7699	134.5974	3.481	428.811621945919
Cond-002472	NPD2563	NPD2563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4957162781	CCCc1cc(=O)oc2cc(OC(C)C(=O)NC(CC(C)C)C(=O)O)ccc12	InChI=1S/C21H27NO6/c1-5-6-14-10-19(23)28-18-11-15(7-8-16(14)18)27-13(4)20(24)22-17(21(25)26)9-12(2)3/h7-8,10-13,17H,5-6,9H2,1-4H3,(H,22,24)(H,25,26)	C21H27NO6	389.442	7	2	101.93	2	10	0	-0.563000000000002	3.72387000000001	3	4.187	76.5346	108.3155	3.0013	381.442127948335
Cond-002473	NPD2565	NPD2565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4386310962	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(C2=O)c1c(cccc1)C(=O)OC	InChI=1S/C31H26N4O5/c1-16-11-12-22-20(13-16)31(30(39)33-22)26-25(23(34-31)14-17-15-32-21-9-5-3-7-18(17)21)27(36)35(28(26)37)24-10-6-4-8-19(24)29(38)40-2/h3-13,15,23,25-26,32,34H,14H2,1-2H3,(H,33,39)/t23?,25-,26+,31?/m1/s1	C31H26N4O5	534.562	9	3	120.6	7	5	0	-2.143	3.3556	3.88	4.477	61.7245	150.7964	3.80700000000001	465.664523721342
Cond-002474	NPD2566	NPD2566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.9146903342	COc1cc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)ccc1	InChI=1S/C25H22O5/c1-16-7-9-18(10-8-16)15-28-20-11-12-22-23(14-20)29-17(2)25(24(22)26)30-21-6-4-5-19(13-21)27-3/h4-14H,15H2,1-3H3	C25H22O5	402.439	5	0	53.99	4	6	1	-0.110599999999999	5.74448	3.66	7.258	42.4399	118.254	3.0172	373.780327338274
Cond-002475	NPD2567	NPD2567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.1409524759	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(CC)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccccc1	InChI=1S/C30H27N3O3/c1-2-18-12-8-14-21-25(18)32-28(36)30(21)29(20-13-6-7-15-22(20)31-27(29)35)24(23-16-9-17-33(23)30)26(34)19-10-4-3-5-11-19/h3-8,10-15,23-24H,2,9,16-17H2,1H3,(H,31,35)(H,32,36)/t23-,24-,29+,30+/m0/s1	C30H27N3O3	477.554	6	2	78.51	7	3	1	-2.6275	5.35657000000001	4.1	5.482	55.9559	139.8189	3.5349	435.964242887786
Cond-002476	NPD2568	NPD2568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.1787246634	[O-]c1ccc2c(cc(=O)oc2c1C[NH+]1CCCCCC1)c1cc2c(oc1=O)ccc(Cl)c2	InChI=1S/C25H22ClNO5/c26-16-5-8-22-15(11-16)12-19(25(30)31-22)18-13-23(29)32-24-17(18)6-7-21(28)20(24)14-27-9-3-1-2-4-10-27/h5-8,11-13,28H,1-4,9-10,14H2	C25H22ClNO5	451.899	6	1	80.1	5	3	0	-2.3554	4.03226	3.44	4.189	62.1039	123.3657	3.1738	401.168155316874
Cond-002477	NPD2569	NPD2569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	28.0235106595	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC(O)c1ccccc1	InChI=1S/C29H27N3O4/c1-3-36-25-14-13-19(15-26(25)35-2)27-28-21(20-11-7-8-12-22(20)31-28)16-23(32-27)29(34)30-17-24(33)18-9-5-4-6-10-18/h4-16,24,31,33H,3,17H2,1-2H3,(H,30,34)	C29H27N3O4	481.542	7	3	96.47	5	9	1	-1.4075	5.25797000000001	3.88	6.006	40.3416	146.1335	3.62690000000001	427.73494366328
Cond-002478	NPD257	NPD257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4524914887	[C@H](Cc1ccc(O)cc1)(NC(=O)COc1cc2c(cc1)c(=O)c(c(C)o2)c1ccc(F)cc1)C(=O)OC	InChI=1S/C28H24FNO7/c1-16-26(18-5-7-19(29)8-6-18)27(33)22-12-11-21(14-24(22)37-16)36-15-25(32)30-23(28(34)35-2)13-17-3-9-20(31)10-4-17/h3-12,14,23,31H,13,15H2,1-2H3,(H,30,32)/t23-/m1/s1	C28H24FNO7	505.491	8	2	111.16	4	10	0	-1.2078	4.86966000000001	3.55	4.8	58.3601	137.95	3.5888	455.04013627387
Cond-002479	NPD2572	NPD2572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1031416716	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C28H29N5O6/c1-13(2)22(26(36)31-19(28(38)39)12-21(29)34)32-25(35)20-11-17-14-7-5-6-10-18(14)30-23(17)24-15-8-3-4-9-16(15)27(37)33(20)24/h3-10,13,19-20,22,24,30H,11-12H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H,38,39)/t19-,20-,22-,24?/m0/s1	C28H29N5O6	531.56	11	6	174.69	5	10	1	-3.051	1.02278	3.33	1.979	77.334	143.4031	3.84600000000001	474.449391555669
Cond-002480	NPD2573	NPD2573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.2714803566	Cc1ccc(C)c(c1)N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1	InChI=1S/C27H25NO3/c1-17-9-10-18(2)24(13-17)28-15-23-25(30-16-28)12-11-21-19(3)22(27(29)31-26(21)23)14-20-7-5-4-6-8-20/h4-13H,14-16H2,1-3H3	C27H25NO3	411.492	4	0	38.77	5	3	1	2.2439	6.38411000000001	3.99	8.112	48.7406	126.72	3.1728	389.432144696252
Cond-002481	NPD2574	NPD2574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.2609226263	COc1cc(cc(OC)c1OC)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(C)cc1	InChI=1S/C29H27N3O4/c1-17-9-11-18(12-10-17)16-30-29(33)23-15-21-20-7-5-6-8-22(20)31-27(21)26(32-23)19-13-24(34-2)28(36-4)25(14-19)35-3/h5-15,31H,16H2,1-4H3,(H,30,33)	C29H27N3O4	481.542	7	2	85.47	5	8	1	-0.556999999999999	5.37269000000001	3.88	6.134	42.9032	145.6077	3.6269	427.73494366328
Cond-002482	NPD2575	NPD2575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.6105069837	CC(O)[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1)C(=O)O	InChI=1S/C21H29N3O5/c1-14(25)17(19(27)28)23-20(29)21(15-6-3-2-4-7-15)9-12-24(13-10-21)18(26)16-8-5-11-22-16/h2-4,6-7,14,16-17,22,25H,5,8-13H2,1H3,(H,23,29)(H,27,28)/t14?,16-,17+/m0/s1	C21H29N3O5	403.472	8	4	118.97	3	8	0	-3.1032	0.48289	2.89	1.797	75.393	109.449	3.0766	384.925421664108
Cond-002483	NPD2576	NPD2576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8141323662	CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C25H25NO6S/c1-33-13-12-21(26-25(29)30-15-16-6-3-2-4-7-16)24(28)31-17-10-11-19-18-8-5-9-20(18)23(27)32-22(19)14-17/h2-4,6-7,10-11,14,21H,5,8-9,12-13,15H2,1H3,(H,26,29)/t21-/m1/s1	C25H25NO6S	467.534	7	1	116.23	4	11	2	-0.0818000000000001	4.25588	3.33	6.282	71.046	129.1917	3.3822	425.612797005402
Cond-002484	NPD2577	NPD2577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.81268255	O=C(NCCCc1ccccc1)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C28H23N3O3/c32-28(29-14-6-9-18-7-2-1-3-8-18)23-16-21-20-10-4-5-11-22(20)30-27(21)26(31-23)19-12-13-24-25(15-19)34-17-33-24/h1-5,7-8,10-13,15-16,30H,6,9,14,17H2,(H,29,32)	C28H23N3O3	449.501	6	2	76.24	6	7	1	-1.5719	6.32046000000001	3.88	7.531	30.7028	140.7357	3.31870000000001	389.292273636052
Cond-002485	NPD2578	NPD2578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6812299309	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCCc1c[nH]c2c1cccc2	InChI=1S/C23H23N3O3/c27-22(11-5-6-15-13-24-19-9-3-1-7-17(15)19)26-21(23(28)29)12-16-14-25-20-10-4-2-8-18(16)20/h1-4,7-10,13-14,21,24-25H,5-6,11-12H2,(H,26,27)(H,28,29)/t21-/m0/s1	C23H23N3O3	389.447	6	4	97.98	4	9	0	-2.0009	3.86447000000001	3.33	3.957	41.7752	118.9955	2.9604	346.334644010719
Cond-002486	NPD2579	NPD2579	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.1713559449	Cc1c2oc(=O)cc(C[NH+]3CCN(CC3)C(c3ccccc3)c3ccccc3)c2ccc1[O-]	InChI=1S/C28H28N2O3/c1-20-25(31)13-12-24-23(18-26(32)33-28(20)24)19-29-14-16-30(17-15-29)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,27,31H,14-17,19H2,1H3	C28H28N2O3	440.534	5	1	57.04	5	5	1	-1.5008	3.59989000000001	3.99	6.357	50.6741	131.0497	3.4135	417.724889530286
Cond-002487	NPD258	NPD258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	56.8803694691	Brc1ccc(o1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C16H15BrN2O3/c17-14-5-4-13(22-14)16(21)18-7-10-6-11(9-18)12-2-1-3-15(20)19(12)8-10/h1-5,10-11H,6-9H2/t10-,11+/m1/s1	C16H15BrN2O3	363.206	5	0	53.76	4	2	0	-0.811400000000001	2.50257	2.56	1.319	69.9183	85.5475	2.2213	276.795445202251
Cond-002488	NPD2580	NPD2580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6303337147	CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1	InChI=1S/C30H31NO7S/c1-5-6-7-26(31-39(34,35)23-14-8-19(2)9-15-23)30(33)37-27-17-16-24-25(18-28(32)38-29(24)20(27)3)21-10-12-22(36-4)13-11-21/h8-18,26,31H,5-7H2,1-4H3	C30H31NO7S	549.635	8	1	116.38	4	11	2	-0.690800000000002	6.16600000000001	3.77	7.403	69.0247	147.4067	4.0594	504.710029433697
Cond-002489	NPD2581	NPD2581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2233976353	Fc1cccc(CCN2COc3ccc4c(cc(=O)oc4c3C2)c2ccccc2)c1	InChI=1S/C25H20FNO3/c26-19-8-4-5-17(13-19)11-12-27-15-22-23(29-16-27)10-9-20-21(14-24(28)30-25(20)22)18-6-2-1-3-7-18/h1-10,13-14H,11-12,15-16H2	C25H20FNO3	401.43	4	0	38.77	5	4	1	0.697499999999999	5.33897000000001	3.66	7.553	38.8148	117.42	2.9087	360.907734294825
Cond-002490	NPD2582	NPD2582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0305031525	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2cc(OC)ccc2)cc1	InChI=1S/C23H22N4O5/c1-31-13-5-3-4-12(10-13)27-22(29)18(21(28)26-23(27)30)20-19-15(8-9-24-20)16-11-14(32-2)6-7-17(16)25-19/h3-7,10-11,20,24-25,28H,8-9H2,1-2H3,(H,26,30)	C23H22N4O5	434.445	9	4	119.41	5	4	0	-0.7604	3.26935	3	2.289	59.1296	124.4043	3.069	373.455398919208
Cond-002491	NPD2583	NPD2583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0528153645	CC1CCCC[NH+]1Cc1c2O/C(=C\C3=Cc4c(OC3C)cccc4)/C(=O)c2ccc1[O-]	InChI=1S/C26H27NO4/c1-16-7-5-6-12-27(16)15-21-22(28)11-10-20-25(29)24(31-26(20)21)14-19-13-18-8-3-4-9-23(18)30-17(19)2/h3-4,8-11,13-14,16-17,28H,5-7,12,15H2,1-2H3/b24-14-	C26H27NO4	417.497	5	1	63.03	5	3	0	-3.3558	2.96887000000001	3.77	4.741	64.0814	119.5457	3.1766	397.099304172547
Cond-002492	NPD2584	NPD2584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6468875843	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N1CCC[C@@H]1C(=O)O)C2=O	InChI=1S/C22H27N3O5/c26-19(23-12-6-9-17(23)21(28)29)10-2-1-5-11-24-20(27)18-13-15-7-3-4-8-16(15)14-25(18)22(24)30/h3-4,7-8,17-18H,1-2,5-6,9-14H2,(H,28,29)/t17-,18+/m1/s1	C22H27N3O5	413.467	8	1	98.23	4	8	0	-3.248	1.90589	3	2.351	74.2997	109.9118	3.0659	387.228488888374
Cond-002493	NPD2585	NPD2585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.144968816	COc1cc(OC)c(Cl)cc1N1COc2ccc3c(C)cc(=O)oc3c2C1	InChI=1S/C20H18ClNO5/c1-11-6-19(23)27-20-12(11)4-5-16-13(20)9-22(10-26-16)15-7-14(21)17(24-2)8-18(15)25-3/h4-8H,9-10H2,1-3H3	C20H18ClNO5	387.814	6	0	57.23	4	3	0	1.2333	5.33106	2.89	3.122	54.5276	108.199	2.6639	332.31760828994
Cond-002494	NPD2586	NPD2586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4067763223	COc1c2c(oc(=O)c(CC(=O)N[C@@H](CCSC)C(=O)O)c2C)cc(C)c1	InChI=1S/C19H23NO6S/c1-10-7-14(25-3)17-11(2)12(19(24)26-15(17)8-10)9-16(21)20-13(18(22)23)5-6-27-4/h7-8,13H,5-6,9H2,1-4H3,(H,20,21)(H,22,23)/t13-/m0/s1	C19H23NO6S	393.454	7	2	127.23	2	9	0	0.637300000000001	2.68029	2.67	2.487	76.1369	106.2875	2.883	365.359182754202
Cond-002495	NPD2587	NPD2587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6700024408	Cc1c(CC(=O)NC(Cc2c[nH]c3c2cc(O)cc3)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C31H23FN2O7/c1-15-20-10-23-24(16-2-4-18(32)5-3-16)14-40-27(23)12-28(20)41-31(39)21(15)11-29(36)34-26(30(37)38)8-17-13-33-25-7-6-19(35)9-22(17)25/h2-7,9-10,12-14,26,33,35H,8,11H2,1H3,(H,34,36)(H,37,38)	C31H23FN2O7	554.522	9	4	141.86	6	8	0	-0.862100000000001	5.84416000000001	3.77	3.889	55.4266	154.2873	3.8081	466.139015556437
Cond-002496	NPD2588	NPD2588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8332269312	CCCCOC(=O)c1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccc(OC)cc1	InChI=1S/C29H27NO6/c1-3-4-15-34-29(32)20-5-9-21(10-6-20)30-17-25-26(35-18-30)14-13-23-24(16-27(31)36-28(23)25)19-7-11-22(33-2)12-8-19/h5-14,16H,3-4,15,17-18H2,1-2H3	C29H27NO6	485.528	7	0	74.3	5	8	1	-0.705400000000001	6.65436000000001	3.88	6.491	58.8199	141.6975	3.5877	447.758335348869
Cond-002497	NPD2589	NPD2589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.421693792	COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc12	InChI=1S/C26H17NO8/c1-32-22-4-2-3-16-11-21(26(29)35-25(16)22)20-13-24(28)34-23-12-18(9-10-19(20)23)33-14-15-5-7-17(8-6-15)27(30)31/h2-13H,14H2,1H3	C26H17NO8	471.415	9	0	114.2	5	6	1	0.7213	4.37616	3.33	5.725	48.2424	128.386	3.19640000000001	408.177917470791
Cond-002498	NPD259	NPD259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7883108633	CC1(C)Cc2c(cccc2)C2=C(C(=O)N3CCCCC3)C(O)(CC=C)C(=O)N12	InChI=1S/C23H28N2O3/c1-4-12-23(28)18(20(26)24-13-8-5-9-14-24)19-17-11-7-6-10-16(17)15-22(2,3)25(19)21(23)27/h4,6-7,10-11,28H,1,5,8-9,12-15H2,2-3H3	C23H28N2O3	380.48	5	1	60.85	4	4	0	-1.345	2.87167	3.44	4.573	79.8712	110.0968	2.9896	375.947259904952
Cond-002499	NPD2590	NPD2590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.0507688553	Cc1c(C)c2cc3c(oc(=O)c(CCC(=O)NC(Cc4ccc(Cl)cc4)C(=O)NCCCC(=O)O)c3C)cc2o1	InChI=1S/C30H31ClN2O7/c1-16-18(3)39-25-15-26-23(14-22(16)25)17(2)21(30(38)40-26)10-11-27(34)33-24(13-19-6-8-20(31)9-7-19)29(37)32-12-4-5-28(35)36/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)	C30H31ClN2O7	567.029	9	3	134.94	4	13	1	0.550700000000001	5.03892000000001	3.66	4.048	90.0196	155.6562	4.1181	512.408833354697
Cond-002500	NPD2591	NPD2591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.1589105516	Cc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1C	InChI=1S/C27H25NO3/c1-17-8-7-11-24(18(17)2)28-15-23-25(30-16-28)13-12-21-19(3)22(27(29)31-26(21)23)14-20-9-5-4-6-10-20/h4-13H,14-16H2,1-3H3	C27H25NO3	411.492	4	0	38.77	5	3	1	2.2439	6.38411000000001	3.99	8.112	48.7406	126.72	3.1728	389.432144696252
Cond-002501	NPD2592	NPD2592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2084629745	Cc1c2oc(=O)c(CCC(=O)NC(C(=O)O)c3ccccc3)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C28H29NO6/c1-15-18(11-12-22(30)29-23(26(31)32)17-9-7-6-8-10-17)27(33)35-25-16(2)24-20(13-19(15)25)21(14-34-24)28(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,29,30)(H,31,32)	C28H29NO6	475.533	7	2	105.84	4	8	1	1.7371	5.38399000000001	3.77	5.837	73.3184	134.4425	3.5984	445.455268124602
Cond-002502	NPD2593	NPD2593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.507339634	Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C24H25NO4/c1-15-18-11-17-9-10-24(2,3)29-20(17)13-21(18)28-23(27)19(15)12-22(26)25-14-16-7-5-4-6-8-16/h4-8,11,13H,9-10,12,14H2,1-3H3,(H,25,26)	C24H25NO4	391.46	5	1	64.63	4	5	1	0.797100000000001	4.90246000000001	3.55	5.265	61.0794	116.1517	3.0034	374.863793621613
Cond-002503	NPD2594	NPD2594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.022948557	Cc1c2oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C25H31NO6/c1-14-16-11-18-19(25(3,4)5)13-31-22(18)15(2)23(16)32-24(30)17(14)12-20(27)26-10-8-6-7-9-21(28)29/h11,13H,6-10,12H2,1-5H3,(H,26,27)(H,28,29)	C25H31NO6	441.517	7	2	105.84	3	10	0	1.0142	5.33680000000001	3.44	3.889	83.1264	125.8175	3.4133	424.733149050203
Cond-002504	NPD2595	NPD2595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5813245963	COc1c(OC)cc(CCNC(=O)[C@H](C(C)C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1	InChI=1S/C29H34N4O5/c1-17(2)24(26(34)30-14-12-18-10-11-22(37-4)23(16-18)38-5)33-27(35)29(3)25-20(13-15-32(29)28(33)36)19-8-6-7-9-21(19)31-25/h6-11,16-17,24,31H,12-15H2,1-5H3,(H,30,34)/t24-,29-/m0/s1	C29H34N4O5	518.604	9	2	103.97	5	9	0	-0.8052	3.42018000000001	3.66	3.428	84.2113	147.1267	3.9144	477.231306674408
Cond-002505	NPD2596	NPD2596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3509394881	CCOc1ccc(cc1)n1c(=O)c(C2N(C)CCc3c2c(OC)c2OCOc2c3)c(O)nc1S	InChI=1S/C24H25N3O6S/c1-4-31-15-7-5-14(6-8-15)27-23(29)18(22(28)25-24(27)34)19-17-13(9-10-26(19)2)11-16-20(21(17)30-3)33-12-32-16/h5-8,11,19,28H,4,9-10,12H2,1-3H3,(H,25,34)	C24H25N3O6S	483.537	9	1	131.86	5	5	0	0.7709	4.75385000000001	3	2.464	79.304	137.1868	3.3753	420.590332795869
Cond-002506	NPD2598	NPD2598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.5193472856	C[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC(CC1)C(=O)O	InChI=1S/C28H29N5O6/c1-16(25(35)32-12-10-17(11-13-32)27(37)38)30-24(34)23(14-18-15-29-21-8-4-2-6-19(18)21)33-26(36)20-7-3-5-9-22(20)31-28(33)39/h2-9,15-17,23,29H,10-14H2,1H3,(H,30,34)(H,31,39)(H,37,38)/t16-,23-/m0/s1	C28H29N5O6	531.56	11	4	155.4	5	9	1	-3.0258	2.66327	3.33	3.127	77.6002	148.2018	3.84600000000001	474.449391555669
Cond-002507	NPD2599	NPD2599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.7379062084	COc1cc(OC)c(/C=C/2\Oc3c(C[NH+](C)Cc4ccccc4)c([O-])ccc3C2=O)cc1OC	InChI=1S/C27H27NO6/c1-28(15-17-8-6-5-7-9-17)16-20-21(29)11-10-19-26(30)25(34-27(19)20)13-18-12-23(32-3)24(33-4)14-22(18)31-2/h5-14,29H,15-16H2,1-4H3/b25-13-	C27H27NO6	461.506	7	1	81.49	4	8	0	-2.6648	2.27928	3.66	4.785	53.6799	128.4327	3.4575	428.159283498736
Cond-002508	NPD26	NPD26	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.221416062	COc1c(cccc1)C(CCNCc1ccc(cc1)N(C)C)C1CCOC(C)(C)C1	InChI=1S/C26H38N2O2/c1-26(2)18-21(15-17-30-26)23(24-8-6-7-9-25(24)29-5)14-16-27-19-20-10-12-22(13-11-20)28(3)4/h6-13,21,23,27H,14-19H2,1-5H3	C26H38N2O2	410.592	4	1	33.73	3	9	1	-0.6336	5.39119000000001	3.88	5.755	71.4952	126.8877	3.5052	423.137904483592
Cond-002509	NPD260	NPD260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4380648591	Cc1c(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc(o1)C(=O)O	InChI=1S/C25H22O6/c1-14-19-9-10-21(29-13-18-12-22(24(26)27)30-16(18)3)15(2)23(19)31-25(28)20(14)11-17-7-5-4-6-8-17/h4-10,12H,11,13H2,1-3H3,(H,26,27)	C25H22O6	418.439	6	1	85.97	4	6	1	1.6288	4.71323	3.55	6.396	50.6775	119.1178	3.0759	382.570554038835
Cond-002510	NPD2600	NPD2600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0830139246	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(OCC)cc1)c1cc(OC)ccc1	InChI=1S/C35H30N4O5/c1-3-44-23-17-15-22(16-18-23)36-33(40)26-12-5-7-14-29(26)39-34(41)30-20-27-25-11-4-6-13-28(25)37-31(27)32(38(30)35(39)42)21-9-8-10-24(19-21)43-2/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O5	586.637	9	2	103.97	7	8	1	-1.8047	6.44437000000001	4.32	6.969	56.1371	170.3877	4.28460000000001	518.675544823208
Cond-002511	NPD2601	NPD2601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.0143556914	COc1cc(/C=C/2\Oc3cc(OCC(=O)C)ccc3C2=O)c(OC)cc1	InChI=1S/C20H18O6/c1-12(21)11-25-15-4-6-16-18(10-15)26-19(20(16)22)9-13-8-14(23-2)5-7-17(13)24-3/h4-10H,11H2,1-3H3/b19-9-	C20H18O6	354.353	6	0	71.06	3	6	0	-1.1103	3.57427	3	3.104	48.1945	99.12	2.566	324.620007011902
Cond-002512	NPD2602	NPD2602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8581390715	CCCCC(NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C23H29NO7/c1-5-6-7-15(22(27)28)24-18(25)12-29-17-11-16-14(8-9-23(3,4)31-16)21-20(17)13(2)10-19(26)30-21/h10-11,15H,5-9,12H2,1-4H3,(H,24,25)(H,27,28)	C23H29NO7	431.479	8	2	111.16	3	9	0	-0.725900000000003	4.30366000000001	3.11	3.317	84.3197	119.6455	3.2332	412.46786519983
Cond-002513	NPD2603	NPD2603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	55.9887666745	CCc1ccc(cc1)C1CN2C(=O)CN(CCc3c[nH]c4c3cccc4)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C33H32N4O2/c1-3-21-12-14-22(15-13-21)26-19-37-29(38)20-36(17-16-23-18-34-27-10-6-4-8-24(23)27)32(39)33(37,2)31-30(26)25-9-5-7-11-28(25)35-31/h4-15,18,26,34-35H,3,16-17,19-20H2,1-2H3/t26?,33-/m0/s1	C33H32N4O2	516.633	6	2	72.2	7	5	1	-1.6062	5.26318000000001	4.43	7.375	61.8801	158.36	3.95570000000001	465.622271572192
Cond-002514	NPD2605	NPD2605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4542137186	CCCCn1c(O)nc(O)c(C2N(C)CCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C20H24N4O3/c1-3-4-10-24-19(26)15(18(25)22-20(24)27)17-16-13(9-11-23(17)2)12-7-5-6-8-14(12)21-16/h5-8,17,21,25H,3-4,9-11H2,1-2H3,(H,22,27)	C20H24N4O3	368.43	7	3	92.16	4	4	0	-0.634	2.66276	2.89	2.645	66.2268	108.1966	2.7665	335.152826443685
Cond-002515	NPD2606	NPD2606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.116958482	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCc1ccccc1)c1ccc(C)cc1	InChI=1S/C35H30N4O3/c1-22-11-13-24(14-12-22)32-31-28(27-9-5-6-10-29(27)37-31)21-30-34(41)38(35(42)39(30)32)26-17-15-25(16-18-26)33(40)36-20-19-23-7-3-2-4-8-23/h2-18,30,32,37H,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O3	554.638	7	2	85.51	7	7	1	-1.0423	5.18520000000001	4.54	9.535	51.8778	164.1477	4.16720000000001	501.095091422086
Cond-002516	NPD2607	NPD2607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.1934236935	Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C27H25NO7/c1-14-18-11-20-17-4-2-3-5-22(17)34-24(20)13-23(18)35-27(33)19(14)12-25(30)28-21(26(31)32)10-15-6-8-16(29)9-7-15/h6-9,11,13,21,29H,2-5,10,12H2,1H3,(H,28,30)(H,31,32)/t21-/m0/s1	C27H25NO7	475.49	8	3	126.07	5	7	0	-1.1794	4.38996000000001	3.55	3.719	66.3945	133.4843	3.4076	424.593051498497
Cond-002517	NPD2608	NPD2608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5061396213	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC	InChI=1S/C29H34N4O3/c1-4-5-14-30-27(34)23(15-17(2)3)32-28(35)24-16-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,17,23-24,26,31H,4-5,14-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24-,26?/m0/s1	C29H34N4O3	486.605	7	3	94.3	5	10	1	-2.3116	3.67359000000001	3.88	5.812	75.6871	142.6044	3.797	459.650853273286
Cond-002518	NPD2609	NPD2609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3129317894	COc1cc2c([nH]cc2CCNC2CC(=O)N(C2=O)c2cc(OC)ccc2)cc1	InChI=1S/C22H23N3O4/c1-28-16-5-3-4-15(10-16)25-21(26)12-20(22(25)27)23-9-8-14-13-24-19-7-6-17(29-2)11-18(14)19/h3-7,10-11,13,20,23-24H,8-9,12H2,1-2H3	C22H23N3O4	393.436	7	2	83.66	4	7	0	-1.5578	3.33357	3.11	2.68	50.6506	115.5897	2.9212	351.365344786213
Cond-002519	NPD261	NPD261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.1931954542	O=C(CCC(=O)N1C[C@H]2CC(C1)c1cccc(=O)n1C2)NC1CCCC1Cc1ccco1	InChI=1S/C25H31N3O4/c29-23(26-21-6-1-4-18(21)13-20-5-3-11-32-20)9-10-24(30)27-14-17-12-19(16-27)22-7-2-8-25(31)28(22)15-17/h2-3,5,7-8,11,17-19,21H,1,4,6,9-10,12-16H2,(H,26,29)/t17-,18?,19?,21?/m1/s1	C25H31N3O4	437.531	7	1	82.86	5	8	0	-2.7363	2.73407	3.44	1.31	98.8805	120.7337	3.3213	417.969757364614
Cond-002520	NPD2612	NPD2612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.8184073431	Cc1c(CCC(=O)NCC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C26H28N2O7/c1-14-15(8-9-23(29)27-13-24(30)28-10-4-6-19(28)25(31)32)26(33)35-21-12-22-18(11-17(14)21)16-5-2-3-7-20(16)34-22/h11-12,19H,2-10,13H2,1H3,(H,27,29)(H,31,32)/t19-/m0/s1	C26H28N2O7	480.51	9	2	126.15	5	8	0	-2.1201	3.45416000000001	3.33	2.038	86.3688	132.1045	3.4525	434.466744482397
Cond-002521	NPD2614	NPD2614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9697366507	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(I)c1=O	InChI=1S/C16H15IN4O3/c1-20-7-6-9-8-4-2-3-5-10(8)18-12(9)13(20)11-14(22)19-16(24)21(17)15(11)23/h2-5,13,18,22H,6-7H2,1H3,(H,19,24)	C16H15IN4O3	438.22	7	3	92.16	4	1	0	1.2992	2.21266	2.34	2.377	63.7389	102.4416	2.4611	291.245689610483
Cond-002522	NPD2615	NPD2615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.6979484941	COc1cc(cc(OC)c1OC)C(=O)Nc1c(c(=O)c2ccccc2o1)c1ccc2OCOc2c1	InChI=1S/C26H21NO8/c1-30-20-11-15(12-21(31-2)24(20)32-3)25(29)27-26-22(14-8-9-18-19(10-14)34-13-33-18)23(28)16-6-4-5-7-17(16)35-26/h4-12H,13H2,1-3H3,(H,27,29)	C26H21NO8	475.447	9	1	101.55	5	7	0	-1.2293	4.60226	3.33	4.178	50.9654	130.5312	3.2824	413.450834872391
Cond-002523	NPD2617	NPD2617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7237428707	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC1CCCO1)c1ccccc1	InChI=1S/C31H28N4O4/c36-29(32-18-20-11-8-16-39-20)22-13-5-7-15-25(22)35-30(37)26-17-23-21-12-4-6-14-24(21)33-27(23)28(34(26)31(35)38)19-9-2-1-3-10-19/h1-7,9-10,12-15,20,26,28,33H,8,11,16-18H2,(H,32,36)/t20?,26-,28?/m0/s1	C31H28N4O4	520.578	8	2	94.74	7	6	1	-2.7088	4.09348000000001	3.99	6.088	57.4763	149.3357	3.79130000000001	459.510755721581
Cond-002524	NPD2618	NPD2618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.0994415597	CCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(Br)cc3C)cc12	InChI=1S/C21H20BrNO3/c1-4-14-9-19(24)26-21-13(3)20-15(8-17(14)21)10-23(11-25-20)18-6-5-16(22)7-12(18)2/h5-9H,4,10-11H2,1-3H3	C21H20BrNO3	414.292	4	0	38.77	4	2	1	2.4303	5.92381	3.22	5.036	58.7321	109.948	2.74	336.105690721818
Cond-002525	NPD2619	NPD2619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8901402885	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccc(OC)cc1	InChI=1S/C27H33N3O4S/c1-6-16(2)21(23(31)28-15-17-11-13-18(34-5)14-12-17)29-24(32)22-27(3,4)35-26-20-10-8-7-9-19(20)25(33)30(22)26/h7-14,16,21-22,26H,6,15H2,1-5H3,(H,28,31)(H,29,32)/t16?,21-,22+,26?/m0/s1	C27H33N3O4S	495.634	7	2	113.04	4	10	1	-1.0452	3.2334	3.55	5.026	83.0827	138.7904	3.7892	467.254291973147
Cond-002526	NPD262	NPD262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.023880523	COc1ccc(/C=N/CCC(c2ccccc2)c2cc3c(OCO3)cc2)cc1OC	InChI=1S/C25H25NO4/c1-27-22-10-8-18(14-24(22)28-2)16-26-13-12-21(19-6-4-3-5-7-19)20-9-11-23-25(15-20)30-17-29-23/h3-11,14-16,21H,12-13,17H2,1-2H3/b26-16+	C25H25NO4	403.47	5	0	49.28	4	8	1	-1.072	5.45538	3.66	7.212	40.8714	119.423	3.1013	378.62331954668
Cond-002527	NPD2620	NPD2620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.116209995	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c(C)c1c2	InChI=1S/C22H23NO6/c1-10-13(4)28-19-12(3)20-15(8-14(10)19)11(2)16(22(27)29-20)9-18(24)23-7-5-6-17(23)21(25)26/h8,17H,5-7,9H2,1-4H3,(H,25,26)/t17-/m0/s1	C22H23NO6	397.421	7	1	97.05	4	4	0	0.6356	3.20783	3.11	2.222	71.0962	109.0218	2.882	360.488736471802
Cond-002528	NPD2621	NPD2621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	19.3782841428	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(cc3)C(F)(F)F)cc12	InChI=1S/C26H20F3NO4/c1-15-24-17(13-30(14-33-24)19-7-5-18(6-8-19)26(27,28)29)11-22-21(12-23(31)34-25(15)22)16-3-9-20(32-2)10-4-16/h3-12H,13-14H2,1-2H3	C26H20F3NO4	467.437	5	0	48	5	4	1	1.6389	6.40318000000001	3.44	6.809	48.0308	124.371	3.1437	399.129063321865
Cond-002529	NPD2622	NPD2622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7301437075	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1cc(OC)ccc1	InChI=1S/C32H28N4O8/c1-44-18-8-6-7-17(15-18)28-27-21(19-9-2-4-11-22(19)33-27)16-25-30(40)36(32(43)35(25)28)24-12-5-3-10-20(24)29(39)34-23(31(41)42)13-14-26(37)38/h2-12,15,23,25,28,33H,13-14,16H2,1H3,(H,34,39)(H,37,38)(H,41,42)/t23-,25-,28?/m0/s1	C32H28N4O8	596.587	12	4	169.34	6	10	1	-2.8932	3.50658	3.66	4.041	69.7497	160.5618	4.18960000000001	519.051188448892
Cond-002530	NPD2623	NPD2623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.43137545	O=C(NCC1CCC(CC1)C(=O)Oc1ccc2cc(c(=O)oc2c1)c1ccccc1)OCc1ccccc1	InChI=1S/C31H29NO6/c33-29(24-13-11-21(12-14-24)19-32-31(35)36-20-22-7-3-1-4-8-22)37-26-16-15-25-17-27(23-9-5-2-6-10-23)30(34)38-28(25)18-26/h1-10,15-18,21,24H,11-14,19-20H2,(H,32,35)	C31H29NO6	511.565	7	1	90.93	5	10	1	0.6008	5.75286000000001	4.1	9.354	64.1307	146.4687	3.8265	479.713845899803
Cond-002531	NPD2624	NPD2624	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.1757656458	Cc1c(c(=O)c2ccc(OCC(=O)c3ccccc3)cc2o1)c1ccccc1	InChI=1S/C24H18O4/c1-16-23(18-10-6-3-7-11-18)24(26)20-13-12-19(14-22(20)28-16)27-15-21(25)17-8-4-2-5-9-17/h2-14H,15H2,1H3	C24H18O4	370.397	4	0	52.6	4	5	1	-0.7727	4.74028	3.66	7.641	32.6509	108.6635	2.7746	345.057657311046
Cond-002532	NPD2625	NPD2625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6626233856	Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)c1cccc(Cl)c1Cl	InChI=1S/C19H15Cl2NO3/c1-10-11(2)19(23)25-18-12(10)6-7-16-13(18)8-22(9-24-16)15-5-3-4-14(20)17(15)21/h3-7H,8-9H2,1-2H3	C19H15Cl2NO3	376.233	4	0	38.77	4	1	0	2.6343	6.35736	2.89	4.287	49.8687	104.722	2.528	312.652238033385
Cond-002533	NPD2626	NPD2626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3433391218	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CCC(=O)N)C(=O)O)c3)C2=O)c(OC)c1	InChI=1S/C24H24N2O9/c1-32-14-4-3-13(18(10-14)33-2)9-20-23(29)16-6-5-15(11-19(16)35-20)34-12-22(28)26-17(24(30)31)7-8-21(25)27/h3-6,9-11,17H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28)(H,30,31)/b20-9-/t17-/m0/s1	C24H24N2O9	484.455	11	4	163.48	3	12	1	-2.7761	2.58646	2.89	1.284	70.31	128.7164	3.4193	436.895228631785
Cond-002534	NPD2627	NPD2627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.9397626186	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)c(C)c1c2	InChI=1S/C26H24ClNO6/c1-12-15(4)33-23-14(3)24-19(10-18(12)23)13(2)20(26(32)34-24)11-22(29)28-21(25(30)31)9-16-5-7-17(27)8-6-16/h5-8,10,21H,9,11H2,1-4H3,(H,28,29)(H,30,31)	C26H24ClNO6	481.925	7	2	105.84	4	7	0	2.0067	4.59773000000001	3.44	4.303	71.0418	131.3735	3.439	426.074366643302
Cond-002535	NPD2628	NPD2628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9462722307	CC(C)[C@H](NC(=O)C(C)Oc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C22H27NO6/c1-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-5-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t13?,18-/m0/s1	C22H27NO6	401.453	7	2	101.93	3	7	0	-0.5424	4.06139000000001	3.11	3.255	78.3182	112.1685	3.0336	386.381653873402
Cond-002536	NPD2629	NPD2629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5987730061	CCN1CCc2c([nH]c3ccccc23)C1c1c(O)n(CCc2ccc(OC)cc2)c(=O)[nH]c1=O	InChI=1S/C26H28N4O4/c1-3-29-14-13-19-18-6-4-5-7-20(18)27-22(19)23(29)21-24(31)28-26(33)30(25(21)32)15-12-16-8-10-17(34-2)11-9-16/h4-11,23,27,32H,3,12-15H2,1-2H3,(H,28,31,33)	C26H28N4O4	460.525	8	3	97.9	5	6	0	-0.208299999999999	3.40197000000001	3.44	3.925	69.5314	132.2565	3.433	416.553126096247
Cond-002537	NPD2630	NPD2630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.879181091	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1c(OC)cccc1)c1ccc(C)cc1	InChI=1S/C35H30N4O4/c1-21-11-13-22(14-12-21)32-31-27(26-8-4-5-9-28(26)37-31)19-29-34(41)38(35(42)39(29)32)25-17-15-23(16-18-25)33(40)36-20-24-7-3-6-10-30(24)43-2/h3-18,29,32,37H,19-20H2,1-2H3,(H,36,40)/t29-,32?/m0/s1	C35H30N4O4	570.637	8	2	94.74	7	7	1	-1.3497	5.36730000000001	4.43	7.88900000000001	54.7418	167.4037	4.22590000000001	509.885318122647
Cond-002538	NPD2631	NPD2631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8142966229	COc1ccc(cc1)c1cc(=O)oc2c3CN(Cc4ccc(C)cc4)COc3ccc12	InChI=1S/C26H23NO4/c1-17-3-5-18(6-4-17)14-27-15-23-24(30-16-27)12-11-21-22(13-25(28)31-26(21)23)19-7-9-20(29-2)10-8-19/h3-13H,14-16H2,1-2H3	C26H23NO4	413.465	5	0	48	5	4	1	0.5524	4.85449	3.77	6.482	46.3084	122.031	3.0906	380.926386770946
Cond-002539	NPD2632	NPD2632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3795854821	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(CCCC)C2=O	InChI=1S/C26H26N4O3/c1-2-3-12-30-23(31)21-20(13-15-14-27-18-10-6-4-8-16(15)18)29-26(22(21)24(30)32)17-9-5-7-11-19(17)28-25(26)33/h4-11,14,20-22,27,29H,2-3,12-13H2,1H3,(H,28,33)/t20?,21-,22+,26?/m1/s1	C26H26N4O3	442.51	7	3	94.3	6	5	0	-3.3093	3.40198	3.55	3.403	60.6681	128.7314	3.2657	395.406440694886
Cond-002540	NPD2633	NPD2633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0031309623	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(C)cc1	InChI=1S/C33H34N4O3/c1-19(2)16-27(31(38)34-18-21-14-12-20(3)13-15-21)36-32(39)28-17-25-22-8-6-7-11-26(22)35-29(25)30-23-9-4-5-10-24(23)33(40)37(28)30/h4-15,19,27-28,30,35H,16-18H2,1-3H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1	C33H34N4O3	534.648	7	3	94.3	6	9	1	-1.1449	3.76221000000001	4.32	7.693	69.4673	155.8594	4.12300000000001	497.668956973553
Cond-002541	NPD2634	NPD2634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0581389615	[C@@H]12C(NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O)C(C)O	InChI=1S/C24H22ClN3O6/c1-10-14(25)5-4-13-19(10)26-23(32)24(13)18-17(20(27-24)11(2)29)21(30)28(22(18)31)8-12-3-6-15-16(7-12)34-9-33-15/h3-7,11,17-18,20,27,29H,8-9H2,1-2H3,(H,26,32)/t11?,17-,18-,20?,24?/m0/s1	C24H22ClN3O6	483.901	9	3	117.2	6	3	0	-1.8024	2.107	3	0.828000000000001	71.2318	123.3852	3.2256	404.935917807902
Cond-002542	NPD2636	NPD2636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6425351627	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCN3CCOCC3)c(C)c1c2	InChI=1S/C23H28N2O5/c1-13-16(4)29-21-15(3)22-18(11-17(13)21)14(2)19(23(27)30-22)12-20(26)24-5-6-25-7-9-28-10-8-25/h11H,5-10,12H2,1-4H3,(H,24,26)	C23H28N2O5	412.479	7	1	81.01	4	6	0	1.5256	2.58063	3.22	1.542	82.809	116.9197	3.107	382.627713306074
Cond-002543	NPD2637	NPD2637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.2831243688	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C23H28N2O7/c1-4-12(2)20(22(28)29)25-18(26)10-24-19(27)11-31-17-9-8-15-14-6-5-7-16(14)23(30)32-21(15)13(17)3/h8-9,12,20H,4-7,10-11H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t12-,20-/m1/s1	C23H28N2O7	444.478	9	3	131.03	3	11	1	-1.8632	2.78909	3	1.901	85.8284	120.5832	3.29	420.828166707197
Cond-002544	NPD2638	NPD2638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.655126896	C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)n(C)c2ccccc2c1=O)C(=O)O	InChI=1S/C21H21N3O5/c1-13(20(27)28)22-18(25)17(12-14-8-4-3-5-9-14)24-19(26)15-10-6-7-11-16(15)23(2)21(24)29/h3-11,13,17H,12H2,1-2H3,(H,22,25)(H,27,28)/t13-,17-/m0/s1	C21H21N3O5	395.409	8	2	107.02	3	7	0	-1.724	2.13309	2.89	4.235	52.6513	108.828	2.9046	363.479586860907
Cond-002545	NPD2639	NPD2639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.5493126121	OCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc(Cl)ccc1	InChI=1S/C21H18ClN3O2/c22-14-6-3-5-13(11-14)19-20-16(15-7-1-2-8-17(15)24-20)12-18(25-19)21(27)23-9-4-10-26/h1-3,5-8,11-12,24,26H,4,9-10H2,(H,23,27)	C21H18ClN3O2	379.84	5	3	78.01	4	6	0	-1.036	4.49397	3.11	3.98	31.2577	114.5015	2.7423	318.163515828857
Cond-002546	NPD264	NPD264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.771037182	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(CC)Oc1ccccc1	InChI=1S/C37H56O3/c1-5-7-8-9-10-12-15-27-19-21-32-31-20-18-28-26-30(22-24-37(28,4)33(31)23-25-36(27,32)3)40-35(38)34(6-2)39-29-16-13-11-14-17-29/h11,13-14,16-18,27,30-34H,5-10,12,15,19-26H2,1-4H3/t27?,30-,31?,32?,33?,34?,36+,37-/m0/s1	C37H56O3	548.839	3	0	35.53	5	13	2	-1.2463	10.74627	5.2	14.289	125.0856	169.249	4.74	589.013982951551
Cond-002547	NPD2640	NPD2640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0786700095	Cc1c(C)c2ccc(OC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)c(C)c2oc1=O	InChI=1S/C29H27NO6/c1-18-19(2)27(31)36-26-20(3)25(15-14-23(18)26)35-28(32)24(16-21-10-6-4-7-11-21)30-29(33)34-17-22-12-8-5-9-13-22/h4-15,24H,16-17H2,1-3H3,(H,30,33)/t24-/m1/s1	C29H27NO6	485.528	7	1	90.93	4	10	1	1.6533	4.68411000000001	3.88	8.669	58.6613	137.7417	3.6533	457.478335348869
Cond-002548	NPD2642	NPD2642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.5571969971	CC(C)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C27H31N5O7/c1-15(2)22(26(37)38)31-23(34)19(12-13-21(28)33)29-24(35)20(14-16-8-4-3-5-9-16)32-25(36)17-10-6-7-11-18(17)30-27(32)39/h3-11,15,19-20,22H,12-14H2,1-2H3,(H2,28,33)(H,29,35)(H,30,39)(H,31,34)(H,37,38)/t19-,20-,22+/m0/s1	C27H31N5O7	537.564	12	6	191.49	3	14	2	-2.4314	1.40648	3.11	3.78	82.0252	145.0909	3.98100000000001	501.556551031964
Cond-002549	NPD2643	NPD2643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.116584	CCCCOc1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C27H25NO4/c1-2-3-15-30-21-11-9-20(10-12-21)28-17-24-25(31-18-28)14-13-22-23(16-26(29)32-27(22)24)19-7-5-4-6-8-19/h4-14,16H,2-3,15,17-18H2,1H3	C27H25NO4	427.492	5	0	48	5	6	1	-0.716600000000002	6.86776	3.88	7.988	46.8315	130.358	3.2315	398.222371396813
Cond-002550	NPD2644	NPD2644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0461034402	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCC3CCCO3)c1C)c2	InChI=1S/C21H23NO5/c1-12-11-26-18-9-19-17(8-16(12)18)13(2)15(21(24)27-19)5-6-20(23)22-10-14-4-3-7-25-14/h8-9,11,14H,3-7,10H2,1-2H3,(H,22,23)	C21H23NO5	369.411	6	1	77.77	4	6	0	-0.1795	3.78069	3.11	2.002	63.9141	103.5427	2.7254	337.038983846174
Cond-002551	NPD2645	NPD2645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5639487521	Cc1c(C)c2c(OCC(=O)NCc3cnccc3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C24H26N2O5/c1-14-15(2)23(28)30-22-17-7-8-24(3,4)31-18(17)10-19(21(14)22)29-13-20(27)26-12-16-6-5-9-25-11-16/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,26,27)	C24H26N2O5	422.474	7	1	86.75	4	6	0	1.0484	4.30606000000001	3.33	2.973	68.2134	120.4987	3.1619	394.650780530341
Cond-002552	NPD2646	NPD2646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7773121528	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCc1ccccc1	InChI=1S/C27H30N4O3/c1-17(2)15-22(24(32)28-16-18-9-5-4-6-10-18)31-25(33)27(3)23-20(13-14-30(27)26(31)34)19-11-7-8-12-21(19)29-23/h4-12,17,22,29H,13-16H2,1-3H3,(H,28,32)/t22-,27-/m0/s1	C27H30N4O3	458.552	7	2	85.51	5	7	1	-0.701600000000001	3.41108	3.66	5.371	69.5797	133.0167	3.5152	425.058884021553
Cond-002553	NPD2647	NPD2647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6905132193	Cc1c2oc(=O)c(CCC(=O)NCc3cnccc3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C26H26N2O4/c1-15-18(9-10-23(29)28-14-17-6-5-11-27-13-17)26(30)32-24-16(2)25-21(12-20(15)24)19-7-3-4-8-22(19)31-25/h5-6,11-13H,3-4,7-10,14H2,1-2H3,(H,28,29)	C26H26N2O4	430.496	6	1	81.43	5	6	0	0.331400000000001	4.66228000000001	3.66	3.724	63.5021	125.6917	3.2334	394.559605679913
Cond-002554	NPD2648	NPD2648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7834492282	CCOC(=O)c1c(c(=O)c2ccc(OC(=O)c3ccco3)cc2o1)c1ccc2OCCOc2c1	InChI=1S/C25H18O9/c1-2-29-25(28)23-21(14-5-8-17-20(12-14)32-11-10-31-17)22(26)16-7-6-15(13-19(16)34-23)33-24(27)18-4-3-9-30-18/h3-9,12-13H,2,10-11H2,1H3	C25H18O9	462.405	9	0	110.5	5	7	0	-0.8611	5.10755	3.22	4.175	52.2469	124.1945	3.1004	393.948316738918
Cond-002555	NPD2649	NPD2649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.504223158	CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1	InChI=1S/C23H23NO6/c1-3-16-12-21(25)30-20-13-17(10-11-18(16)20)29-22(26)19(4-2)24-23(27)28-14-15-8-6-5-7-9-15/h5-13,19H,3-4,14H2,1-2H3,(H,24,27)	C23H23NO6	409.432	7	1	90.93	3	10	1	-0.176000000000001	4.22187000000001	3.22	5.933	57.5954	113.3077	3.0455	384.868262396869
Cond-002556	NPD265	NPD265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6839180271	CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18?,19?,20?,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.56379999999999	4.66157000000001	3.66	4.049	108.3588	109.114	3.0756	396.212868216647
Cond-002557	NPD2650	NPD2650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8118811881	OC(=O)[C@@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)c1ccccc1	InChI=1S/C18H15N3O5/c22-14(20-15(17(24)25)11-6-2-1-3-7-11)10-21-16(23)12-8-4-5-9-13(12)19-18(21)26/h1-9,15H,10H2,(H,19,26)(H,20,22)(H,24,25)/t15-/m0/s1	C18H15N3O5	353.329	8	3	119.3	3	6	0	-1.4315	1.42048	2.56	3.374	38.4646	95.4438000000001	2.4819	311.591632983307
Cond-002558	NPD2652	NPD2652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0303354835	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N1CCC[C@H]1C(=O)O)c1cc(OC)ccc1	InChI=1S/C32H28N4O6/c1-42-19-9-6-8-18(16-19)28-27-22(20-10-2-4-12-23(20)33-27)17-26-30(38)36(32(41)35(26)28)24-13-5-3-11-21(24)29(37)34-15-7-14-25(34)31(39)40/h2-6,8-13,16,25-26,28,33H,7,14-15,17H2,1H3,(H,39,40)/t25-,26-,28?/m0/s1	C32H28N4O6	564.588	10	2	123.25	7	6	0	-2.9646	4.14798000000001	3.88	4.791	65.605	156.4963	4.00660000000001	491.75073504777
Cond-002559	NPD2653	NPD2653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.1256102974	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(Cc1ccccc1)C2=O	InChI=1S/C24H24N4O4/c1-12-8-9-15-20(13(12)2)26-23(32)24(15)19-18(16(27-24)10-17(25)29)21(30)28(22(19)31)11-14-6-4-3-5-7-14/h3-9,16,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/t16?,18-,19+,24?/m1/s1	C24H24N4O4	432.472	8	4	121.6	5	4	0	-1.7426	0.746729999999999	3.22	2.35	63.7757	115.9618	3.1512	392.861156844513
Cond-002560	NPD2655	NPD2655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3595415242	Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C24H23NO5/c1-14-16(8-9-23(26)25-13-15-5-4-10-28-15)24(27)30-21-12-22-19(11-18(14)21)17-6-2-3-7-20(17)29-22/h4-5,10-12H,2-3,6-9,13H2,1H3,(H,25,26)	C24H23NO5	405.443	6	1	81.68	5	6	0	-0.464700000000001	4.81306000000001	3.44	3.615	59.6191	118.9517	2.9535	360.397561621374
Cond-002561	NPD2656	NPD2656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0905906393	COc1c2C(CC(=O)c3ccc(I)cc3)N(C)CCc2cc2c1OCO2	InChI=1S/C20H20INO4/c1-22-8-7-13-9-17-19(26-11-25-17)20(24-2)18(13)15(22)10-16(23)12-3-5-14(21)6-4-12/h3-6,9,15H,7-8,10-11H2,1-2H3	C20H20INO4	465.282	5	0	48	4	4	0	1.1689	4.51408	3	3.359	59.7859	112.93	2.784	336.229574190012
Cond-002562	NPD2657	NPD2657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3627428037	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C28H30N4O5/c1-16(2)22(24(33)30-21(25(34)35)15-17-9-5-4-6-10-17)32-26(36)28(3)23-19(13-14-31(28)27(32)37)18-11-7-8-12-20(18)29-23/h4-12,16,21-22,29H,13-15H2,1-3H3,(H,30,33)(H,34,35)/t21-,22-,28-/m0/s1	C28H30N4O5	502.562	9	3	122.81	5	8	0	-1.3033	2.85618	3.55	4.856	75.8232	140.5795	3.73050000000001	457.298863347742
Cond-002563	NPD2658	NPD2658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3941025041	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CC1	InChI=1S/C22H26N4O3/c1-12(2)17(19(27)23-13-8-9-13)26-20(28)22(3)18-15(10-11-25(22)21(26)29)14-6-4-5-7-16(14)24-18/h4-7,12-13,17,24H,8-11H2,1-3H3,(H,23,27)/t17-,22-/m0/s1	C22H26N4O3	394.467	7	2	85.51	5	5	0	-1.5952	2.32268	3.11	2.226	69.6368	112.0317	2.9397	357.388336994619
Cond-002564	NPD2659	NPD2659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.2876199392	COc1c(cccc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccccc1	InChI=1S/C27H23N3O3/c1-27-24-23(19-13-6-8-14-21(19)28-24)20(18-12-7-9-15-22(18)33-2)16-29(27)26(32)30(25(27)31)17-10-4-3-5-11-17/h3-15,20,28H,16H2,1-2H3/t20?,27-/m0/s1	C27H23N3O3	437.49	6	1	65.64	6	3	1	-1.0915	4.75128000000001	3.77	5.789	41.8205	129.83	3.22080000000001	385.532747710986
Cond-002565	NPD266	NPD266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.623336428	CC(C)c1c(O)c(O)c(/C=N/Cc2ccccc2O)c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)c(C(C)C)c(O)c(O)c2/C=N/Cc1c(O)cccc1	InChI=1S/C44H44N2O8/c1-21(2)33-27-15-23(5)35(41(51)37(27)29(39(49)43(33)53)19-45-17-25-11-7-9-13-31(25)47)36-24(6)16-28-34(22(3)4)44(54)40(50)30(38(28)42(36)52)20-46-18-26-12-8-10-14-32(26)48/h7-16,19-22,47-54H,17-18H2,1-6H3/b45-19+,46-20+	C44H44N2O8	728.829	10	8	186.56	6	9	2	-1.7462	10.0753	5.2	8.114	84.2094	223.9614	5.55180000000002	674.900107440555
Cond-002566	NPD2661	NPD2661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9130283181	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(=O)N)C(=O)O)c1ccc(OC)cc1	InChI=1S/C31H27N5O7/c1-43-17-12-10-16(11-13-17)27-26-20(18-6-2-4-8-21(18)33-26)14-24-29(39)36(31(42)35(24)27)23-9-5-3-7-19(23)28(38)34-22(30(40)41)15-25(32)37/h2-13,22,24,27,33H,14-15H2,1H3,(H2,32,37)(H,34,38)(H,40,41)/t22-,24-,27?/m0/s1	C31H27N5O7	581.575	12	5	175.13	6	9	1	-3.0002	2.51718	3.55	2.955	67.0603	157.5034	4.08980000000001	503.96173733063
Cond-002567	NPD2662	NPD2662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.922351774	COc1c(OC)c2c(cc1)C(OC2=O)N1C(CCC1=O)C(=O)Nc1c(F)cc(F)cc1	InChI=1S/C21H18F2N2O6/c1-29-15-7-4-11-17(18(15)30-2)21(28)31-20(11)25-14(6-8-16(25)26)19(27)24-13-5-3-10(22)9-12(13)23/h3-5,7,9,14,20H,6,8H2,1-2H3,(H,24,27)	C21H18F2N2O6	432.374	8	1	94.17	4	6	0	-0.783	3.06279	2.67	2.818	51.5124	105.3107	2.8333	363.688171053915
Cond-002568	NPD2663	NPD2663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0636068119	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(F)cc1)c1cc(Cl)ccc1	InChI=1S/C32H22ClFN4O3/c33-19-7-5-6-18(16-19)29-28-24(22-8-1-3-10-25(22)36-28)17-27-31(40)38(32(41)37(27)29)26-11-4-2-9-23(26)30(39)35-21-14-12-20(34)13-15-21/h1-16,27,29,36H,17H2,(H,35,39)/t27-,29?/m0/s1	C32H22ClFN4O3	564.993	7	2	85.51	7	5	1	-0.7275	6.82957	3.99	7.489	43.6998	157.6347	3.88460000000001	470.485764165226
Cond-002569	NPD2664	NPD2664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.4982283123	Cc1c(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C32H26N2O6/c1-18-21(11-12-30(35)34-27(31(36)37)13-20-16-33-26-10-6-5-9-22(20)26)32(38)40-29-15-28-24(14-23(18)29)25(17-39-28)19-7-3-2-4-8-19/h2-10,14-17,27,33H,11-13H2,1H3,(H,34,35)(H,36,37)/t27-/m0/s1	C32H26N2O6	534.559	8	3	121.63	6	9	1	-0.819100000000001	6.38956000000001	4.1	6.328	56.8549	157.2815	3.87260000000001	468.577214631436
Cond-002570	NPD2665	NPD2665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.832180099	Cc1ccc(cc1)c1coc2c1cc1c(oc(=O)c(CC(=O)NCCCC(=O)O)c1C)c2	InChI=1S/C25H23NO6/c1-14-5-7-16(8-6-14)20-13-31-21-12-22-17(10-19(20)21)15(2)18(25(30)32-22)11-23(27)26-9-3-4-24(28)29/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,26,27)(H,28,29)	C25H23NO6	433.453	7	2	105.84	4	8	0	0.0340000000000003	4.97450000000001	3.44	4.608	58.1764	124.2035	3.1757	393.567314247002
Cond-002571	NPD2666	NPD2666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.8279961123	[C@@H]1(OC(=O)CCC(=O)NCCc2ccc(OC)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C28H39NO8/c1-17-5-10-22-18(2)25(34-26-28(22)21(17)13-15-27(3,35-26)36-37-28)33-24(31)12-11-23(30)29-16-14-19-6-8-20(32-4)9-7-19/h6-9,17-18,21-22,25-26H,5,10-16H2,1-4H3,(H,29,30)/t17-,18-,21+,22+,25-,26-,27+,28?/m1/s1	C28H39NO8	517.611	9	1	101.55	4	10	0	0.268100000000003	4.11919000000001	3.55	4.904	98.3501	135.1047	3.8652	488.298015029725
Cond-002572	NPD2667	NPD2667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3281081611	Cc1cc(cc(C)c1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H21NO3/c1-14-8-15(2)10-18(9-14)25-12-17-11-21-19-6-4-5-7-20(19)24(26)28-23(21)16(3)22(17)27-13-25/h4-11H,12-13H2,1-3H3	C24H21NO3	371.428	4	0	38.77	5	1	1	1.7111	5.58743	3.66	6.813	36.2612	113.838	2.7931	340.180649519452
Cond-002573	NPD2668	NPD2668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8137791587	Cc1c2oc(=O)c(CC(=O)NCC(=O)O)c(C)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C23H18ClNO6/c1-11-15-7-17-18(13-3-5-14(24)6-4-13)10-30-21(17)12(2)22(15)31-23(29)16(11)8-19(26)25-9-20(27)28/h3-7,10H,8-9H2,1-2H3,(H,25,26)(H,27,28)	C23H18ClNO6	439.845	7	2	105.84	4	6	0	0.8181	4.8477	3.11	2.922	56.181	119.9795	3.0163	374.186412765702
Cond-002574	NPD2669	NPD2669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0730818477	[C@@H]12CCC3=C/C(=N/OCC(=O)NCC(=O)O)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C24H36N2O5/c1-22-9-6-16(26-31-14-20(27)25-13-21(28)29)12-15(22)4-5-17-18(22)7-10-23(2)19(17)8-11-24(23,3)30/h12,17-19,30H,4-11,13-14H2,1-3H3,(H,25,27)(H,28,29)/b26-16+/t17-,18?,19?,22+,23+,24+/m1/s1	C24H36N2O5	432.553	7	3	108.22	4	6	0	-0.264	3.58337	3.33	3.444	114.7769	121.4903	3.3769	429.633074034342
Cond-002575	NPD267	NPD267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1146875453	CC(Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)c1ccccc1	InChI=1S/C27H24O4/c1-17-22-14-15-24(30-19(3)25(28)21-12-8-5-9-13-21)18(2)26(22)31-27(29)23(17)16-20-10-6-4-7-11-20/h4-15,19H,16H2,1-3H3	C27H24O4	412.477	4	0	52.6	4	6	1	1.202	6.40749	3.99	8.696	45.9619	125.8885	3.1973	396.945611188647
Cond-002576	NPD2670	NPD2670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9054138146	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(CN(Cc4ccccc4)CO3)cc12	InChI=1S/C27H25NO3/c1-18-23-14-22-16-28(15-21-11-7-4-8-12-21)17-30-25(22)19(2)26(23)31-27(29)24(18)13-20-9-5-3-6-10-20/h3-12,14H,13,15-17H2,1-2H3	C27H25NO3	411.492	4	0	38.77	5	4	1	1.6135	5.43039000000001	3.99	8.154	47.9507	124.698	3.1728	389.432144696252
Cond-002577	NPD2671	NPD2671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7729009045	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1cc(OC)c(O)cc1)C2O	InChI=1S/C21H32N2O3/c1-4-8-20-11-22-13-21(9-5-2,19(20)25)14-23(12-20)18(22)15-6-7-16(24)17(10-15)26-3/h6-7,10,18-19,24-25H,4-5,8-9,11-14H2,1-3H3/t18?,19?,20-,21+	C21H32N2O3	360.49	5	2	56.17	1	6	0	-1.906	3.00759000000001	3.22	3.186	76.2576	102.8758	2.8798	351.901125456419
Cond-002578	NPD2673	NPD2673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5590315495	OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C27H28N4O6/c32-23-18-10-4-5-11-19(18)28-27(37)31(23)22(16-17-8-2-1-3-9-17)25(34)29-14-6-12-20(29)24(33)30-15-7-13-21(30)26(35)36/h1-5,8-11,20-22H,6-7,12-16H2,(H,28,37)(H,35,36)/t20-,21-,22-/m0/s1	C27H28N4O6	504.534	10	2	130.82	5	8	0	-3.2451	2.49738	3.33	4.828	73.9259	137.4331	3.6483	459.693105422436
Cond-002579	NPD2674	NPD2674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.5044461413	CCc1cc(=O)oc2c(C)c3c(CN(Cc4cc(Cl)ccc4)CO3)cc12	InChI=1S/C21H20ClNO3/c1-3-15-9-19(24)26-21-13(2)20-16(8-18(15)21)11-23(12-25-20)10-14-5-4-6-17(22)7-14/h4-9H,3,10-12H2,1-2H3	C21H20ClNO3	369.841	4	0	38.77	4	3	0	1.6554	4.86099	3.22	4.529	54.9587	105.236	2.6874	332.033139514685
Cond-002580	NPD2675	NPD2675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.673869273	Cc1cc(=O)oc2c3CN(COc3ccc12)c1ccc(cc1)C(F)(F)F	InChI=1S/C19H14F3NO3/c1-11-8-17(24)26-18-14(11)6-7-16-15(18)9-23(10-25-16)13-4-2-12(3-5-13)19(20,21)22/h2-8H,9-10H2,1H3	C19H14F3NO3	361.315	4	0	38.77	4	2	1	1.6907	5.33816	2.78	5.028	40.715	94.309	2.3363	300.432779043437
Cond-002581	NPD2676	NPD2676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2287273629	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CO)C(=O)O)c3)C2=O)ccc1	InChI=1S/C21H19NO8/c1-28-13-4-2-3-12(7-13)8-18-20(25)15-6-5-14(9-17(15)30-18)29-11-19(24)22-16(10-23)21(26)27/h2-9,16,23H,10-11H2,1H3,(H,22,24)(H,26,27)/b18-8-/t16-/m0/s1	C21H19NO8	413.377	9	3	131.39	3	9	0	-2.285	2.30466	2.78	2.06	55.3687	110.8218	2.8811	367.856746546257
Cond-002582	NPD2677	NPD2677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0682696865	C[C@H](NC(=O)Cc1c(C)c2c(oc1=O)cc1occ(c1c2)c1ccc(Br)cc1)C(=O)O	InChI=1S/C23H18BrNO6/c1-11-15-7-17-18(13-3-5-14(24)6-4-13)10-30-19(17)9-20(15)31-23(29)16(11)8-21(26)25-12(2)22(27)28/h3-7,9-10,12H,8H2,1-2H3,(H,25,26)(H,27,28)/t12-/m0/s1	C23H18BrNO6	484.296	7	2	105.84	4	6	0	0.416599999999999	5.13457	3.11	3.674	58.3219	122.5625	3.0689	378.258963972835
Cond-002583	NPD2678	NPD2678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7794269934	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(C)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc2OCOc2c1	InChI=1S/C30H25N3O5/c1-16-8-10-21-19(13-16)30(28(36)32-21)29(18-5-2-3-6-20(18)31-27(29)35)25(22-7-4-12-33(22)30)26(34)17-9-11-23-24(14-17)38-15-37-23/h2-3,5-6,8-11,13-14,22,25H,4,7,12,15H2,1H3,(H,31,35)(H,32,36)/t22-,25-,29+,30+/m0/s1	C30H25N3O5	507.537	8	2	96.97	8	2	0	-2.5951	5.10639	3.88	3.53	58.5796	142.5309	3.5437	441.188237588108
Cond-002584	NPD2679	NPD2679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0810689647	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1ccco1)c1ccc(C)cc1	InChI=1S/C32H26N4O4/c1-19-8-10-20(11-9-19)29-28-25(24-6-2-3-7-26(24)34-28)17-27-31(38)35(32(39)36(27)29)22-14-12-21(13-15-22)30(37)33-18-23-5-4-16-40-23/h2-16,27,29,34H,17-18H2,1H3,(H,33,37)/t27-,29?/m0/s1	C32H26N4O4	530.573	8	2	98.65	7	6	1	-1.452	4.37700000000001	4.1	6.729	49.0451	153.2197	3.84620000000001	460.633822945847
Cond-002585	NPD268	NPD268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.4691018264	COc1ccc(CN(CCC(C2CCOC(C)(C)C2)c2c(OC)cccc2)C(=O)c2ccco2)cc1	InChI=1S/C30H37NO5/c1-30(2)20-23(16-19-36-30)25(26-8-5-6-9-27(26)34-4)15-17-31(29(32)28-10-7-18-35-28)21-22-11-13-24(33-3)14-12-22/h5-14,18,23,25H,15-17,19-21H2,1-4H3	C30H37NO5	491.618	6	0	61.14	4	11	2	-1.2717	5.94719000000001	4.1	6.463	70.2802	141.815	3.9075	476.529928077375
Cond-002586	NPD2680	NPD2680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9131729099	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCc3ncccc3)c1C)c2	InChI=1S/C21H18N2O4/c1-12-11-26-18-9-19-16(7-15(12)18)13(2)17(21(25)27-19)8-20(24)23-10-14-5-3-4-6-22-14/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)	C21H18N2O4	362.379	6	1	81.43	4	5	0	0.527	3.92719	3.11	2.744	43.4963	103.5767	2.6375	320.43614125138
Cond-002587	NPD2681	NPD2681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.015825915	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCCn3ccnc3)c12	InChI=1S/C23H27N3O5/c1-15-11-20(28)30-22-16-5-6-23(2,3)31-17(16)12-18(21(15)22)29-13-19(27)25-7-4-9-26-10-8-24-14-26/h8,10-12,14H,4-7,9,13H2,1-3H3,(H,25,27)	C23H27N3O5	425.478	8	1	91.68	4	8	0	0.232099999999997	3.94706000000001	3.11	2.191	74.3781	120.4077	3.1638	390.988014813441
Cond-002588	NPD2682	NPD2682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.886978858	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C29H37N3O5S/c1-17(2)15-21(25(33)30-14-13-18-11-12-22(36-5)23(16-18)37-6)31-26(34)24-29(3,4)38-28-20-10-8-7-9-19(20)27(35)32(24)28/h7-12,16-17,21,24,28H,13-15H2,1-6H3,(H,30,33)(H,31,34)/t21-,24+,28?/m0/s1	C29H37N3O5S	539.686	8	2	122.27	4	12	2	0.090399999999998	3.624	3.66	5.151	96.2243	150.9654	4.1297	510.636487925442
Cond-002589	NPD2683	NPD2683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.7051501098	OCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc(Cl)ccc1	InChI=1S/C20H16ClN3O2/c21-13-5-3-4-12(10-13)18-19-15(14-6-1-2-7-16(14)23-19)11-17(24-18)20(26)22-8-9-25/h1-7,10-11,23,25H,8-9H2,(H,22,26)	C20H16ClN3O2	365.813	5	3	78.01	4	5	0	-0.748	4.10387	3	3.622	28.3461	109.8845	2.6014	300.867531202991
Cond-002590	NPD2684	NPD2684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9519830412	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3cc(Cl)c(F)cc3)c(C)c1c2	InChI=1S/C23H19ClFNO4/c1-11-13(3)29-20-10-21-17(9-16(11)20)12(2)15(23(28)30-21)5-7-22(27)26-14-4-6-19(25)18(24)8-14/h4,6,8-10H,5,7H2,1-3H3,(H,26,27)	C23H19ClFNO4	427.853	5	1	68.54	4	5	0	2.2413	6.5256	3.22	4.533	55.8701	117.9107	2.9596	365.309976915686
Cond-002591	NPD2685	NPD2685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6929997259	COc1c2C(CC(=O)c3nn(C)cc3C)N(C)CCc2cc2c1OCO2	InChI=1S/C19H23N3O4/c1-11-9-22(3)20-17(11)14(23)8-13-16-12(5-6-21(13)2)7-15-18(19(16)24-4)26-10-25-15/h7,9,13H,5-6,8,10H2,1-4H3	C19H23N3O4	357.404	7	0	65.82	4	4	0	0.506299999999998	3.1309	2.78	0.626	59.9365	101.926	2.6275	318.286767011013
Cond-002592	NPD2686	NPD2686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.2871287129	Fc1ccccc1N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C23H16FNO3/c24-19-8-4-5-9-20(19)25-13-18-21(27-14-25)11-10-16-17(12-22(26)28-23(16)18)15-6-2-1-3-7-15/h1-12H,13-14H2	C23H16FNO3	373.376	4	0	38.77	5	2	1	0.4303	5.82796	3.44	7.041	29.6508	109.913	2.6269	326.315765043091
Cond-002593	NPD2687	NPD2687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6772111039	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O	InChI=1S/C20H25NO7/c1-6-10(2)18(19(23)24)21-17(22)8-13-11(3)12-7-15(26-4)16(27-5)9-14(12)28-20(13)25/h7,9-10,18H,6,8H2,1-5H3,(H,21,22)(H,23,24)/t10-,18+/m1/s1	C20H25NO7	391.415	8	2	111.16	2	9	0	-0.5763	2.95387	2.78	1.973	74.1822	105.6555	2.9191	372.93637002303
Cond-002594	NPD2688	NPD2688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7444568434	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCOC)c1ccc(cc1)C(C)C	InChI=1S/C32H32N4O4/c1-19(2)20-12-14-21(15-13-20)29-28-24(22-8-4-6-10-25(22)34-28)18-27-31(38)36(32(39)35(27)29)26-11-7-5-9-23(26)30(37)33-16-17-40-3/h4-15,19,27,29,34H,16-18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1	C32H32N4O4	536.621	8	2	94.74	6	8	1	-1.4072	4.68428000000001	4.1	6.945	68.2197	156.3267	4.04080000000001	489.163199048247
Cond-002595	NPD2689	NPD2689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.072184194	COc1c(OC)cc(CCN2COc3c(Cl)cc4c(cc(=O)oc4c3C2)c2ccccc2)cc1	InChI=1S/C27H24ClNO5/c1-31-23-9-8-17(12-24(23)32-2)10-11-29-15-21-26-20(13-22(28)27(21)33-16-29)19(14-25(30)34-26)18-6-4-3-5-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3	C27H24ClNO5	477.936	6	0	57.23	5	6	1	0.8585	5.87047	3.66	6.591	58.1895	135.576	3.4126	422.223665867808
Cond-002596	NPD269	NPD269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2599393656	CCCCCCCCCCCCCCCC1=NCCC2C1Nc1c2cc(OC)cc1	InChI=1S/C27H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-27-23(19-20-28-26)24-21-22(30-2)17-18-25(24)29-27/h17-18,21,23,27,29H,3-16,19-20H2,1-2H3	C27H44N2O	412.651	3	1	33.62	3	15	2	-5.1995	8.39668000000001	4.1	9.179	79.0802	131.4347	3.6734	447.816579810498
Cond-002597	NPD2690	NPD2690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.288558214	Cc1c(CC(=O)NCc2cc3c(OCO3)cc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C25H25NO6/c1-14-17-9-16-6-7-25(2,3)32-20(16)11-21(17)31-24(28)18(14)10-23(27)26-12-15-4-5-19-22(8-15)30-13-29-19/h4-5,8-9,11H,6-7,10,12-13H2,1-3H3,(H,26,27)	C25H25NO6	435.469	7	1	83.09	5	5	0	0.4944	5.13195000000001	3.44	3.671	68.5515	124.3357	3.1531	397.383772947802
Cond-002598	NPD2691	NPD2691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.803165183	COc1c(OC)cc2C(C)N(CCc2c1)C(=O)C(NC(=O)c1ccccc1)C(C)C	InChI=1S/C24H30N2O4/c1-15(2)22(25-23(27)17-9-7-6-8-10-17)24(28)26-12-11-18-13-20(29-4)21(30-5)14-19(18)16(26)3/h6-10,13-16,22H,11-12H2,1-5H3,(H,25,27)	C24H30N2O4	410.506	6	1	67.87	3	8	0	-0.6893	3.23139000000001	3.44	4.635	65.5658	118.1557	3.2548	400.85347123138
Cond-002599	NPD2692	NPD2692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9055067122	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(C)C)c1ccc(F)cc1	InChI=1S/C30H27FN4O3/c1-17(2)16-32-28(36)21-8-4-6-10-24(21)35-29(37)25-15-22-20-7-3-5-9-23(20)33-26(22)27(34(25)30(35)38)18-11-13-19(31)14-12-18/h3-14,17,25,27,33H,15-16H2,1-2H3,(H,32,36)/t25-,27?/m0/s1	C30H27FN4O3	510.559	7	2	85.51	6	6	1	-0.8873	4.70958000000001	3.88	6.139	57.0642	145.1577	3.71800000000001	451.848561946259
Cond-002600	NPD2693	NPD2693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2867122654	CCCCc1cc(=O)oc2cc(OC(=O)CNC(=O)OCc3ccccc3)ccc12	InChI=1S/C23H23NO6/c1-2-3-9-17-12-21(25)30-20-13-18(10-11-19(17)20)29-22(26)14-24-23(27)28-15-16-7-5-4-6-8-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,24,27)	C23H23NO6	409.432	7	1	90.93	3	11	2	-0.753200000000002	4.22347000000001	3.22	6.187	56.2611	113.3297	3.0455	384.868262396869
Cond-002601	NPD2695	NPD2695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.324237162	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cc(Cl)ccc1	InChI=1S/C28H24ClN3O3/c1-3-35-24-12-11-18(14-25(24)34-2)26-27-21(20-9-4-5-10-22(20)31-27)15-23(32-26)28(33)30-16-17-7-6-8-19(29)13-17/h4-15,31H,3,16H2,1-2H3,(H,30,33)	C28H24ClN3O3	485.961	6	2	76.24	5	8	1	-0.152499999999999	6.37957000000001	3.77	6.141	39.9947	145.0427	3.54970000000001	416.859800107286
Cond-002602	NPD2696	NPD2696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0779536545	CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12	InChI=1S/C22H21BrO4/c1-3-4-5-16-12-21(25)27-22-14(2)20(11-10-18(16)22)26-13-19(24)15-6-8-17(23)9-7-15/h6-12H,3-5,13H2,1-2H3	C22H21BrO4	429.304	4	0	52.6	3	7	1	0.5232	6.33889	3.33	6.021	57.5307	113.7555	2.9054	360.91514184008
Cond-002603	NPD2698	NPD2698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.566595986	CCCCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)cc2oc1=O)C(=O)O	InChI=1S/C26H24FNO6/c1-3-4-5-21(25(30)31)28-24(29)11-18-14(2)17-10-19-20(15-6-8-16(27)9-7-15)13-33-22(19)12-23(17)34-26(18)32/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,28,29)(H,30,31)	C26H24FNO6	465.47	7	2	105.84	4	9	0	-0.8565	5.68147000000001	3.44	4.695	59.3301	128.6715	3.3343	416.930857723175
Cond-002604	NPD2699	NPD2699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2665786129	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2c(C)c(C)ccc2)cc1	InChI=1S/C24H24N4O4/c1-12-5-4-6-18(13(12)2)28-23(30)19(22(29)27-24(28)31)21-20-15(9-10-25-21)16-11-14(32-3)7-8-17(16)26-20/h4-8,11,21,25-26,29H,9-10H2,1-3H3,(H,27,31)	C24H24N4O4	432.472	8	4	110.18	5	3	0	0.575399999999999	3.37150000000001	3.22	3.379	62.818	125.3983	3.1512	381.961156844513
Cond-002605	NPD27	NPD27	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5467527629	CCCO[C@H]1[C@H](O[C@@H]2OC3(CCCCC3)O[C@H]12)C1COC2(CCCCC2)O1	InChI=1S/C21H34O6/c1-2-13-22-17-16(15-14-23-20(25-15)9-5-3-6-10-20)24-19-18(17)26-21(27-19)11-7-4-8-12-21/h15-19H,2-14H2,1H3/t15?,16-,17+,18-,19-/m1/s1	C21H34O6	382.491	6	0	55.38	5	4	0	-4.0475	3.6581	3.11	3.461	78.4356	97.107	2.8767	362.731202543369
Cond-002606	NPD270	NPD270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.470506576	CCOC(=O)C1=C2N(C(=O)C1=O)C(C)(C)Cc1c2cc(OC)c(OC)c1	InChI=1S/C19H21NO6/c1-6-26-18(23)14-15-11-8-13(25-5)12(24-4)7-10(11)9-19(2,3)20(15)17(22)16(14)21/h7-8H,6,9H2,1-5H3	C19H21NO6	359.373	7	0	82.14	3	5	0	9.99999999987677e-05	1.77518	2.78	1.823	70.6501	94.916	2.6109	334.493699995802
Cond-002607	NPD2700	NPD2700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9635590353	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCC(C)CC1	InChI=1S/C27H29N3O3/c1-16-8-10-17(11-9-16)28-27(31)23-15-20-19-6-4-5-7-22(19)29-25(20)26(30-23)21-14-18(32-2)12-13-24(21)33-3/h4-7,12-17,29H,8-11H2,1-3H3,(H,28,31)	C27H29N3O3	443.537	6	2	76.24	5	6	1	-1.1406	6.05407000000001	3.77	5.683	52.0331	137.4457	3.4154	403.162123813386
Cond-002608	NPD2701	NPD2701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8118480423	CCC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CCSC)CC1)C(=O)O	InChI=1S/C19H35N3O4S/c1-4-12(2)16(19(25)26)22-17(23)14-7-5-13(6-8-14)11-21-18(24)15(20)9-10-27-3/h12-16H,4-11,20H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t12?,13-,14-,15-,16-/m0/s1	C19H35N3O4S	401.564	7	5	146.82	1	13	1	-1.6771	1.83879	2.67	-0.276999999999999	100.3734	111.6966	3.2458	403.574543273413
Cond-002609	NPD2702	NPD2702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4985163205	CC1N2C(=O)c3c(cccc3)C2(O)C2Cc3c(cc4OCOc4c3)C(=C)N2C1=O	InChI=1S/C22H18N2O5/c1-11-15-9-18-17(28-10-29-18)7-13(15)8-19-22(27)16-6-4-3-5-14(16)21(26)24(22)12(2)20(25)23(11)19/h3-7,9,12,19,27H,1,8,10H2,2H3	C22H18N2O5	390.389	7	1	79.31	6	0	0	-1.8457	1.84258	3.11	2.67	54.18	105.4158	2.6629	335.345893877007
Cond-002610	NPD2703	NPD2703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0535089017	CC[NH+](CC)Cc1c2O/C(=C\c3c(OC)cc(OC)c(OC)c3)/C(=O)c2ccc1[O-]	InChI=1S/C23H27NO6/c1-6-24(7-2)13-16-17(25)9-8-15-22(26)21(30-23(15)16)11-14-10-19(28-4)20(29-5)12-18(14)27-3/h8-12,25H,6-7,13H2,1-5H3/b21-11-	C23H27NO6	413.464	7	1	81.49	3	8	0	-2.0733	1.82858	3.22	2.723	63.252	114.2007	3.1315	390.141179798469
Cond-002611	NPD2704	NPD2704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.006923838	COc1c(OC)cc2/C(=C/C(=O)c3cc4c(OCO4)cc3)/NCCc2c1	InChI=1S/C20H19NO5/c1-23-18-7-12-5-6-21-15(14(12)9-19(18)24-2)10-16(22)13-3-4-17-20(8-13)26-11-25-17/h3-4,7-10,21H,5-6,11H2,1-2H3/b15-10-	C20H19NO5	353.369	6	1	66.02	4	4	0	-0.909	3.08847	3	3.068	49.4849	100.1457	2.5415	317.106540519507
Cond-002612	NPD2705	NPD2705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.043413545	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCCCO)c(C)c1c2	InChI=1S/C20H23NO5/c1-11-13(3)25-17-10-18-16(9-15(11)17)12(2)14(20(24)26-18)5-6-19(23)21-7-4-8-22/h9-10,22H,4-8H2,1-3H3,(H,21,23)	C20H23NO5	357.4	6	2	88.77	3	7	0	0.2922	2.99291	3	1.795	64.2826	102.3405	2.6931	332.099457921107
Cond-002613	NPD2706	NPD2706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.08338519	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(CCc1cc(F)ccc1)C2	InChI=1S/C26H22FNO3/c1-17-25-20(15-28(16-30-25)11-10-18-6-5-9-21(27)12-18)13-23-22(14-24(29)31-26(17)23)19-7-3-2-4-8-19/h2-9,12-14H,10-11,15-16H2,1H3	C26H22FNO3	415.456	4	0	38.77	5	4	1	1.3395	5.36699000000001	3.77	7.665	44.3169	121.06	3.0496	378.203718920692
Cond-002614	NPD2708	NPD2708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7683443317	[C@@H]12[C@H](CCC(=O)O)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(Cc1ccc(OC)cc1)C2=O	InChI=1S/C24H23N3O6/c1-33-14-8-6-13(7-9-14)12-27-21(30)19-17(10-11-18(28)29)26-24(20(19)22(27)31)15-4-2-3-5-16(15)25-23(24)32/h2-9,17,19-20,26H,10-12H2,1H3,(H,25,32)(H,28,29)/t17-,19+,20-,24-/m0/s1	C24H23N3O6	449.456	9	3	125.04	5	6	0	-2.9714	1.68869	3.11	1.495	62.7767	118.2922	3.1688	399.444850037469
Cond-002615	NPD2709	NPD2709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.140659886	CC(C)[C@H](NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1C)C(=O)O	InChI=1S/C21H21NO6/c1-11(2)18(20(24)25)22-17(23)10-27-16-9-8-14-13-6-4-5-7-15(13)21(26)28-19(14)12(16)3/h4-9,11,18H,10H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1	C21H21NO6	383.395	7	2	101.93	3	7	0	-0.263800000000001	3.5915	3	3.89	50.2263	108.6695	2.8067	352.912751845935
Cond-002616	NPD271	NPD271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.1071169735	COc1ccc(O)c(c1)C1CC(=Nc2c(S1)cccc2)c1c(O)cc(C)oc1=O	InChI=1S/C22H19NO5S/c1-12-9-18(25)21(22(26)28-12)16-11-20(14-10-13(27-2)7-8-17(14)24)29-19-6-4-3-5-15(19)23-16/h3-10,20,24-25H,11H2,1-2H3	C22H19NO5S	409.455	6	2	113.65	4	3	0	0.0357999999999986	5.05126	3.11	3.741	64.5986	116.3398	2.9008	364.934616427241
Cond-002617	NPD2710	NPD2710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4488336539	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c2cc(C)c(C)cc2)c1=O	InChI=1S/C24H24N4O3/c1-13-8-9-15(12-14(13)2)28-23(30)19(22(29)26-24(28)31)21-20-17(10-11-27(21)3)16-6-4-5-7-18(16)25-20/h4-9,12,21,25,29H,10-11H2,1-3H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	2	0	1.1631	3.65039	3.33	4.484	60.7969	123.2076	3.0925	373.170930143952
Cond-002618	NPD2711	NPD2711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0996233569	COc1c(cccc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1cccc(F)c1	InChI=1S/C27H22FN3O3/c1-27-24-23(19-11-3-5-12-21(19)29-24)20(18-10-4-6-13-22(18)34-2)15-30(27)26(33)31(25(27)32)17-9-7-8-16(28)14-17/h3-14,20,29H,15H2,1-2H3/t20?,27-/m0/s1	C27H22FN3O3	455.48	6	1	65.64	6	3	1	-0.6118	4.89038000000001	3.66	5.537	42.693	129.788	3.23850000000001	391.600306561292
Cond-002619	NPD2712	NPD2712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.003250691	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC1CCCO1)c1ccc(cc1)C(C)C	InChI=1S/C34H34N4O4/c1-20(2)21-13-15-22(16-14-21)31-30-26(24-9-3-5-11-27(24)36-30)18-29-33(40)38(34(41)37(29)31)28-12-6-4-10-25(28)32(39)35-19-23-8-7-17-42-23/h3-6,9-16,20,23,29,31,36H,7-8,17-19H2,1-2H3,(H,35,39)/t23?,29-,31?/m0/s1	C34H34N4O4	562.658	8	2	94.74	7	7	1	-2.1359	5.21688000000001	4.32	7.488	71.7441	163.4247	4.21400000000001	511.398709599181
Cond-002620	NPD2713	NPD2713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4079582389	COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)O)c(=O)oc2c1OC	InChI=1S/C18H21NO7S/c1-9-10-5-6-13(24-2)16(25-3)15(10)26-18(23)11(9)7-14(20)19-12(8-27-4)17(21)22/h5-6,12H,7-8H2,1-4H3,(H,19,20)(H,21,22)/t12-/m0/s1	C18H21NO7S	395.427	8	2	136.46	2	9	0	0.231499999999999	2.27077	2.45	1.362	75.039	104.5825	2.8008	356.853424828896
Cond-002621	NPD2714	NPD2714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	58.9637485442	CC(C)[C@@H](NC(=O)COc1cc2c(cc1)C(=O)/C(=C/c1cc3c(OCO3)cc1)/O2)C(=O)O	InChI=1S/C23H21NO8/c1-12(2)21(23(27)28)24-20(25)10-29-14-4-5-15-17(9-14)32-19(22(15)26)8-13-3-6-16-18(7-13)31-11-30-16/h3-9,12,21H,10-11H2,1-2H3,(H,24,25)(H,27,28)/b19-8-/t21-/m1/s1	C23H21NO8	439.415	9	2	120.39	4	8	0	-1.5143	4.18925	3	3.119	62.516	120.206	3.0543	390.092257097191
Cond-002622	NPD2715	NPD2715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9568379368	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(=O)N)C(=O)O)c1ccc(cc1)C(C)C	InChI=1S/C33H31N5O6/c1-17(2)18-11-13-19(14-12-18)29-28-22(20-7-3-5-9-23(20)35-28)15-26-31(41)38(33(44)37(26)29)25-10-6-4-8-21(25)30(40)36-24(32(42)43)16-27(34)39/h3-14,17,24,26,29,35H,15-16H2,1-2H3,(H2,34,39)(H,36,40)(H,42,43)/t24-,26-,29?/m0/s1	C33H31N5O6	593.629	11	5	165.9	6	9	2	-2.3755	3.63198000000001	3.88	5.432	74.0123	165.0404	4.31290000000001	529.763479881802
Cond-002623	NPD2716	NPD2716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2863070539	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)ccc12	InChI=1S/C29H24N2O7/c1-36-19-8-6-17(7-9-19)23-14-28(33)38-26-13-20(10-11-22(23)26)37-16-27(32)31-25(29(34)35)12-18-15-30-24-5-3-2-4-21(18)24/h2-11,13-15,25,30H,12,16H2,1H3,(H,31,32)(H,34,35)/t25-/m0/s1	C29H24N2O7	512.51	9	3	126.95	5	10	0	-1.723	4.19336000000001	3.66	4.726	54.961	144.9295	3.66020000000001	451.372404855997
Cond-002624	NPD2717	NPD2717	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.243003464	Cc1cc(O)c2c(oc(=O)c(CC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c2C)c1	InChI=1S/C21H25NO6/c1-11-7-16(23)19-12(2)15(21(27)28-17(19)8-11)9-18(24)22-10-13-3-5-14(6-4-13)20(25)26/h7-8,13-14,23H,3-6,9-10H2,1-2H3,(H,22,24)(H,25,26)/t13-,14-	C21H25NO6	387.426	7	3	112.93	3	6	0	0.552600000000001	3.06199000000001	3	1.953	75.8927	104.9283	2.8927	369.085669247535
Cond-002625	NPD2718	NPD2718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4945808289	Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)c(=O)c2ccccc12	InChI=1S/C21H21N3O6/c1-23-16-10-6-5-9-14(16)19(27)24(21(23)30)17(11-13-7-3-2-4-8-13)18(26)22-15(12-25)20(28)29/h2-10,15,17,25H,11-12H2,1H3,(H,22,26)(H,28,29)/t15-,17-/m0/s1	C21H21N3O6	411.408	9	3	127.25	3	8	0	-2.224	1.10549	2.78	3.103	54.0294	110.2398	2.9633	372.269813561469
Cond-002626	NPD2719	NPD2719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8805227131	CC(C)C[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C28H29NO6/c1-14(2)11-22(27(31)32)29-23(30)13-20-15(3)19-12-21-24(18-9-7-6-8-10-18)17(5)34-26(21)16(4)25(19)35-28(20)33/h6-10,12,14,22H,11,13H2,1-5H3,(H,29,30)(H,31,32)/t22-/m0/s1	C28H29NO6	475.533	7	2	105.84	4	8	1	1.3865	5.43511000000001	3.77	6.339	73.7783	138.3525	3.5984	445.455268124602
Cond-002627	NPD272	NPD272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1577980765	COC(=O)C(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C22H22O5/c1-13-17-10-11-19(26-15(3)21(23)25-4)14(2)20(17)27-22(24)18(13)12-16-8-6-5-7-9-16/h5-11,15H,12H2,1-4H3	C22H22O5	366.407	5	0	61.83	3	6	1	1.477	4.69759000000001	3.33	6.006	52.6043	107.132	2.7891	350.421749563074
Cond-002628	NPD2720	NPD2720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3130147458	COc1cccc(c1)C(=O)Nc1c(c(=O)c2ccccc2o1)c1cccc(OC)c1	InChI=1S/C24H19NO5/c1-28-17-9-5-7-15(13-17)21-22(26)19-11-3-4-12-20(19)30-24(21)25-23(27)16-8-6-10-18(14-16)29-2/h3-14H,1-2H3,(H,25,27)	C24H19NO5	401.411	6	1	73.86	4	6	1	-0.8748	4.36417	3.44	5.794	36.1775	115.7952	2.9331	364.844644219774
Cond-002629	NPD2721	NPD2721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.1240012552	C[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(=O)NCC(=O)O	InChI=1S/C24H23N5O6/c1-13(21(32)26-12-20(30)31)27-22(33)19(10-14-11-25-17-8-4-2-6-15(14)17)29-23(34)16-7-3-5-9-18(16)28-24(29)35/h2-9,11,13,19,25H,10,12H2,1H3,(H,26,32)(H,27,33)(H,28,35)(H,30,31)/t13-,19-/m0/s1	C24H23N5O6	477.469	11	5	164.19	4	10	1	-2.5301	1.54087	2.89	2.451	63.293	131.9075	3.39100000000001	417.621911753002
Cond-002630	NPD2722	NPD2722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9744176423	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C31H25NO6S/c1-21-12-15-25(16-13-21)39(35,36)32-28(18-22-8-4-2-5-9-22)31(34)37-24-14-17-26-27(23-10-6-3-7-11-23)20-30(33)38-29(26)19-24/h2-17,19-20,28,32H,18H2,1H3	C31H25NO6S	539.598	7	1	107.15	5	9	1	-0.4059	5.62638	3.99	10.559	46.4387	145.5087	3.90400000000001	482.049952555803
Cond-002631	NPD2723	NPD2723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4480712166	Cc1c(C)c2c(OCC(=O)NCC(O)c3ccccc3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C26H29NO6/c1-15-16(2)25(30)32-24-18-10-11-26(3,4)33-20(18)12-21(23(15)24)31-14-22(29)27-13-19(28)17-8-6-5-7-9-17/h5-9,12,19,28H,10-11,13-14H2,1-4H3,(H,27,29)	C26H29NO6	451.512	7	2	94.09	4	7	0	0.537700000000001	4.44286000000001	3.55	4.33	74.1759	128.8045	3.4026	427.036216274469
Cond-002632	NPD2724	NPD2724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.2208044248	COc1ccc(cc1OC)c1c2n(ccc3cc(OC)c(OC)cc23)c(C(=O)C(=O)NCCCCCO)c1c1ccccc1	InChI=1S/C35H36N2O7/c1-41-26-14-13-24(20-27(26)42-2)31-30(22-11-7-5-8-12-22)33(34(39)35(40)36-16-9-6-10-18-38)37-17-15-23-19-28(43-3)29(44-4)21-25(23)32(31)37/h5,7-8,11-15,17,19-21,38H,6,9-10,16,18H2,1-4H3,(H,36,40)	C35H36N2O7	596.67	9	2	107.73	5	14	2	-2.3937	6.65828	4.32	6.134	65.6725	176.312	4.5056	544.248312611196
Cond-002633	NPD2725	NPD2725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.2855434593	CCC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C23H32N4O4/c1-3-14(2)20(23(30)31)26-21(28)15-8-10-27(11-9-15)22(29)18(24)12-16-13-25-19-7-5-4-6-17(16)19/h4-7,13-15,18,20,25H,3,8-12,24H2,1-2H3,(H,26,28)(H,30,31)/t14?,18-,20-/m0/s1	C23H32N4O4	428.525	8	5	128.52	3	10	0	-3.7323	2.04898	3.11	-0.189999999999999	77.3502	123.0199	3.3565	408.187465722647
Cond-002634	NPD2726	NPD2726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.2314370241	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(CC)c1=O	InChI=1S/C19H22N4O3/c1-3-22-10-9-12-11-7-5-6-8-13(11)20-15(12)16(22)14-17(24)21-19(26)23(4-2)18(14)25/h5-8,16,20,24H,3-4,9-10H2,1-2H3,(H,21,26)	C19H22N4O3	354.403	7	3	92.16	4	3	0	0.482200000000001	2.27266	2.78	2.141	64.077	103.5796	2.6256	317.856841817819
Cond-002635	NPD2727	NPD2727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2563783447	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(CN(CCc4cc(F)ccc4)CO3)cc12	InChI=1S/C28H26FNO3/c1-18-24-15-22-16-30(12-11-21-9-6-10-23(29)13-21)17-32-26(22)19(2)27(24)33-28(31)25(18)14-20-7-4-3-5-8-20/h3-10,13,15H,11-12,14,16-17H2,1-2H3	C28H26FNO3	443.509	4	0	38.77	5	5	1	2.3488	5.95149000000001	3.99	8.049	53.275	130.279	3.3314	412.795688172425
Cond-002636	NPD2728	NPD2728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9756419516	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@H](CC(C)C)C(=O)O)c1ccc(cc1)C(C)C	InChI=1S/C35H36N4O5/c1-19(2)17-27(34(42)43)37-32(40)24-10-6-8-12-28(24)39-33(41)29-18-25-23-9-5-7-11-26(23)36-30(25)31(38(29)35(39)44)22-15-13-21(14-16-22)20(3)4/h5-16,19-20,27,29,31,36H,17-18H2,1-4H3,(H,37,40)(H,42,43)/t27-,29+,31?/m1/s1	C35H36N4O5	592.684	9	3	122.81	6	9	1	-0.947	5.80268000000001	4.32	8.478	80.7412	170.684	4.4792	547.204920925608
Cond-002637	NPD2729	NPD2729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.6481581932	COC(=O)C(C)Oc1ccc2C(=O)/C(=C/c3ccc(OC)cc3)/Oc2c1C	InChI=1S/C21H20O6/c1-12-17(26-13(2)21(23)25-4)10-9-16-19(22)18(27-20(12)16)11-14-5-7-15(24-3)8-6-14/h5-11,13H,1-4H3/b18-11-	C21H20O6	368.38	6	0	71.06	3	6	0	-0.0553999999999994	4.38719	3.11	4.242	52.2583	104.6865	2.7069	341.915991637768
Cond-002638	NPD273	NPD273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7249005906	OC(=O)CCC1(CCC(=O)O)CCCC2(CCC(=O)O)CCC(=O)OC12O	InChI=1S/C18H26O9/c19-12(20)2-8-16(9-3-13(21)22)6-1-7-17(10-4-14(23)24)11-5-15(25)27-18(16,17)26/h26H,1-11H2,(H,19,20)(H,21,22)(H,23,24)	C18H26O9	386.394	9	4	158.43	2	9	0	-1.7648	1.99699	2.45	0.855	88.3566	92.8452000000001	2.7839	363.737470066652
Cond-002639	NPD2730	NPD2730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2602186546	[C@@H]1(OC(=O)CCC(=O)NCc2ccncc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C25H34N2O7/c1-15-4-5-19-16(2)22(31-23-25(19)18(15)8-11-24(3,32-23)33-34-25)30-21(29)7-6-20(28)27-14-17-9-12-26-13-10-17/h9-10,12-13,15-16,18-19,22-23H,4-8,11,14H2,1-3H3,(H,27,28)/t15-,16-,18+,19+,22-,23-,24+,25?/m1/s1	C25H34N2O7	474.547	9	1	105.21	4	8	0	0.0642999999999995	3.12359	3.22	3.594	86.5825	120.7247	3.4836	438.61659465973
Cond-002640	NPD2731	NPD2731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.92557678	COc1ccc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c3)C2=O)c1	InChI=1S/C23H21NO10/c1-31-13-4-6-17(32-2)12(7-13)8-19-22(28)15-5-3-14(9-18(15)34-19)33-11-20(25)24-16(23(29)30)10-21(26)27/h3-9,16H,10-11H2,1-2H3,(H,24,25)(H,26,27)(H,29,30)/b19-8-/t16-/m0/s1	C23H21NO10	471.414	11	3	157.69	3	11	1	-2.0931	2.79566	2.78	1.654	67.1762	122.5408	3.2373	417.392710498313
Cond-002641	NPD2732	NPD2732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.8935044577	Cc1c(Br)ccc(c1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C25H20BrNO3/c1-15-10-19(8-9-22(15)26)27-13-18-11-21-20(17-6-4-3-5-7-17)12-23(28)30-25(21)16(2)24(18)29-14-27/h3-12H,13-14H2,1-2H3	C25H20BrNO3	462.335	4	0	38.77	5	2	1	2.1234	6.5074	3.66	7.74	48.3816	124.935	3.066	374.123794422085
Cond-002642	NPD2733	NPD2733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0614596671	COc1c(OC)cc(CCN2C(=NC(=O)C3(Cc4c(cccc4)N4CCN(CC34)c3ccccc3)C2=O)O)cc1	InChI=1S/C31H32N4O5/c1-39-25-13-12-21(18-26(25)40-2)14-15-35-29(37)31(28(36)32-30(35)38)19-22-8-6-7-11-24(22)34-17-16-33(20-27(31)34)23-9-4-3-5-10-23/h3-13,18,27H,14-17,19-20H2,1-2H3,(H,32,36,38)	C31H32N4O5	540.61	9	1	94.91	6	6	1	-0.706900000000001	4.12567000000001	3.88	5.45	75.0081	156.8838	4.0016	494.193899823742
Cond-002643	NPD2735	NPD2735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.2319893925	Fc1cc(Br)ccc1N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C21H13BrFNO3/c22-12-5-7-18(17(23)9-12)24-10-16-19(26-11-24)8-6-14-13-3-1-2-4-15(13)21(25)27-20(14)16/h1-9H,10-11H2	C21H13BrFNO3	426.235	4	0	38.77	5	1	1	1.1536	6.40497	3.11	6.237	29.2265	110.576	2.5631	313.643873469724
Cond-002644	NPD2736	NPD2736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5298335216	COc1c(OC)cc(cc1)N1COc2ccc3c4c(CCCC4)c(=O)oc3c2C1	InChI=1S/C23H23NO5/c1-26-20-9-7-14(11-21(20)27-2)24-12-18-19(28-13-24)10-8-16-15-5-3-4-6-17(15)23(25)29-22(16)18/h7-11H,3-6,12-13H2,1-2H3	C23H23NO5	393.432	6	0	57.23	5	3	0	-0.693099999999998	5.60196	3.33	3.795	57.8189	114.926	2.8556	356.638035696308
Cond-002645	NPD2737	NPD2737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2303102037	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1ccccc1C	InChI=1S/C24H24N4O3/c1-3-27-13-12-16-15-9-5-6-10-17(15)25-20(16)21(27)19-22(29)26-24(31)28(23(19)30)18-11-7-4-8-14(18)2/h4-11,21,25,29H,3,12-13H2,1-2H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	3	0	0.7715	4.06718000000001	3.33	4.373	59.5886	124.4506	3.0925	373.170930143952
Cond-002646	NPD2738	NPD2738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.7114200883	CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C22H23N3O5S/c1-31-12-11-17(21(28)29)23-19(26)18(13-14-7-3-2-4-8-14)25-20(27)15-9-5-6-10-16(15)24-22(25)30/h2-10,17-18H,11-13H2,1H3,(H,23,26)(H,24,30)(H,28,29)/t17-,18+/m0/s1	C22H23N3O5S	441.5	8	3	141.11	3	10	1	-1.4611	3.44208	2.89	5.064	62.1699	121.6157	3.209	399.284595544374
Cond-002647	NPD2739	NPD2739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.614920571	COc1cc(OC)c(CNC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1	InChI=1S/C23H25NO6/c1-13-8-19(29-5)22-14(2)17(23(26)30-20(22)9-13)11-21(25)24-12-15-6-7-16(27-3)10-18(15)28-4/h6-10H,11-12H2,1-5H3,(H,24,25)	C23H25NO6	411.448	7	1	83.09	3	8	0	0.525699999999999	3.90739	3.22	2.995	63.8246	116.6857	3.0885	387.504721097669
Cond-002648	NPD274	NPD274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6641505686	COC(=O)C1CC(O)CN1C(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1	InChI=1S/C27H40N2O6/c1-26-10-8-17(28-35-15-24(32)29-14-18(30)13-22(29)25(33)34-3)12-16(26)4-5-19-20-6-7-23(31)27(20,2)11-9-21(19)26/h12,18-23,30-31H,4-11,13-15H2,1-3H3/b28-17+/t18?,19?,20?,21?,22?,23?,26-,27-/m0/s1	C27H40N2O6	488.616	8	2	108.66	5	6	0	-1.504	3.12727000000001	3.55	3.069	125.7153	134.3686	3.7497	477.954795911703
Cond-002649	NPD2740	NPD2740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.7589515563	COc1cccc(C2CN3C(=O)CN(Cc4ccc(Cl)cc4)C(=O)[C@]3(C)c3c2c2ccccc2[nH]3)c1OC	InChI=1S/C30H28ClN3O4/c1-30-28-26(21-7-4-5-9-23(21)32-28)22(20-8-6-10-24(37-2)27(20)38-3)16-34(30)25(35)17-33(29(30)36)15-18-11-13-19(31)14-12-18/h4-14,22,32H,15-17H2,1-3H3/t22?,30-/m0/s1	C30H28ClN3O4	530.014	7	1	74.87	6	5	0	-1.1076	4.58479000000001	3.88	4.624	64.025	148.143	3.82460000000001	461.42199605958
Cond-002650	NPD2741	NPD2741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.5495815745	COc1ccccc1CNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O	InChI=1S/C24H23NO5/c1-13-9-19-22(23-21(13)14(2)12-29-23)15(3)17(24(27)30-19)10-20(26)25-11-16-7-5-6-8-18(16)28-4/h5-9,12H,10-11H2,1-4H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	6	0	1.1172	4.66441	3.44	3.845	56.3142	116.9937	3.0191	370.117561621374
Cond-002651	NPD2743	NPD2743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.8300596537	COc1ccc(cc1)C(=O)COc1ccc2C(=O)/C(=C/C3=Cc4c(OC3)cccc4)/Oc2c1	InChI=1S/C27H20O6/c1-30-20-8-6-18(7-9-20)23(28)16-31-21-10-11-22-25(14-21)33-26(27(22)29)13-17-12-19-4-2-3-5-24(19)32-15-17/h2-14H,15-16H2,1H3/b26-13-	C27H20O6	440.444	6	0	71.06	5	6	1	-0.938699999999999	5.10456	3.77	5.343	50.8841	125.9675	3.16310000000001	399.533147188169
Cond-002652	NPD2744	NPD2744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.8142274362	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C28H34N4O6/c1-16(2)14-21(24(33)31-23(17(3)4)27(36)37)29-25(34)22(15-18-10-6-5-7-11-18)32-26(35)19-12-8-9-13-20(19)30-28(32)38/h5-13,16-17,21-23H,14-15H2,1-4H3,(H,29,34)(H,30,38)(H,31,33)(H,36,37)/t21-,22-,23+/m0/s1	C28H34N4O6	522.593	10	4	148.4	3	13	2	-0.714900000000001	3.18708	3.44	6.468	85.8425	146.1175	4.00640000000001	501.702007449903
Cond-002653	NPD2745	NPD2745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.823384109	CCN(CC)CCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1c(OC)cccc1	InChI=1S/C29H36N4O3/c1-5-31(6-2)16-11-17-32-19-25(34)33-18-22(20-12-8-10-15-24(20)36-4)26-21-13-7-9-14-23(21)30-27(26)29(33,3)28(32)35/h7-10,12-15,22,30H,5-6,11,16-19H2,1-4H3/t22?,29-/m0/s1	C29H36N4O3	488.621	7	1	68.88	5	8	0	-1.3579	3.79399000000001	3.88	3.965	81.5964	144.463	3.84	462.287311974086
Cond-002654	NPD2746	NPD2746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	68.4015913878	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3cc(OC)ccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C31H31N3O3/c1-4-20-12-14-22(15-13-20)25-18-34-27(35)19-33(17-21-8-7-9-23(16-21)37-3)30(36)31(34,2)29-28(25)24-10-5-6-11-26(24)32-29/h5-16,25,32H,4,17-19H2,1-3H3/t25?,31-/m0/s1	C31H31N3O3	493.596	6	1	65.64	6	5	1	-1.4932	4.48519000000001	4.21	6.919	61.4441	145.959	3.7844	454.716686214453
Cond-002655	NPD2748	NPD2748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.9217418592	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C26H30N4O6/c1-4-15(2)21(23(32)27-16(3)25(34)35)29-22(31)20(14-17-10-6-5-7-11-17)30-24(33)18-12-8-9-13-19(18)28-26(30)36/h5-13,15-16,20-21H,4,14H2,1-3H3,(H,27,32)(H,28,36)(H,29,31)(H,34,35)/t15?,16-,20-,21-/m0/s1	C26H30N4O6	494.54	10	4	148.4	3	12	2	-2.1683	2.55098	3.22	5.602	76.0994	136.9535	3.72460000000001	467.110038198169
Cond-002656	NPD2749	NPD2749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5137905785	COc1c(C)c2c(cc1)c(C)c(CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)c(=O)o2	InChI=1S/C23H30N2O7S/c1-12-15-6-8-18(31-4)13(2)20(15)32-23(30)16(12)7-9-19(26)25-17(10-11-33-5)21(27)24-14(3)22(28)29/h6,8,14,17H,7,9-11H2,1-5H3,(H,24,27)(H,25,26)(H,28,29)/t14-,17-/m0/s1	C23H30N2O7S	478.558	9	3	156.33	2	13	1	-0.0409000000000012	3.13059	2.89	2.143	97.6653	130.8362	3.5621	451.693649465597
Cond-002657	NPD2750	NPD2750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.4269363209	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(CCc2ccccc2)c1=O	InChI=1S/C25H26N4O3/c1-2-28-14-13-18-17-10-6-7-11-19(17)26-21(18)22(28)20-23(30)27-25(32)29(24(20)31)15-12-16-8-4-3-5-9-16/h3-11,22,26,30H,2,12-15H2,1H3,(H,27,32)	C25H26N4O3	430.499	7	3	92.16	5	5	1	0.396699999999999	3.49546000000001	3.44	5.406	63.2505	128.0516	3.2334	390.466914769819
Cond-002658	NPD2751	NPD2751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1365451945	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(CC)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C33H33N3O6/c1-5-18-10-8-12-21-27(18)35-31(39)33(21)32(20-11-6-7-13-22(20)34-30(32)38)26(23-14-9-15-36(23)33)28(37)19-16-24(40-2)29(42-4)25(17-19)41-3/h6-8,10-13,16-17,23,26H,5,9,14-15H2,1-4H3,(H,34,38)(H,35,39)/t23-,26-,32+,33+/m0/s1	C33H33N3O6	567.632	9	2	106.2	7	6	0	-2.7829	5.38237000000001	4.1	3.517	77.9033	159.4749	4.1337	514.222876867069
Cond-002659	NPD2752	NPD2752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.5445544554	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(Cl)c(OC)cc3)cc12	InChI=1S/C22H22ClNO4/c1-4-5-14-9-20(25)28-22-13(2)21-15(8-17(14)22)11-24(12-27-21)16-6-7-19(26-3)18(23)10-16/h6-10H,4-5,11-12H2,1-3H3	C22H22ClNO4	399.867	5	0	48	4	4	0	1.1108	6.13068	3.22	4.711	60.8875	114.521	2.887	358.119350841113
Cond-002660	NPD2753	NPD2753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2466626818	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1ccco1)c1cc(OC)ccc1	InChI=1S/C32H26N4O5/c1-40-22-7-4-6-20(16-22)29-28-25(24-9-2-3-10-26(24)34-28)17-27-31(38)35(32(39)36(27)29)21-13-11-19(12-14-21)30(37)33-18-23-8-5-15-41-23/h2-16,27,29,34H,17-18H2,1H3,(H,33,37)/t27-,29?/m0/s1	C32H26N4O5	546.573	9	2	107.88	7	7	1	-2.1458	4.35758000000001	3.99	5.329	50.8588	156.1317	3.90490000000001	469.424049646408
Cond-002661	NPD2754	NPD2754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4660939544	CC(C)OCCCNC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O	InChI=1S/C23H29NO5/c1-12(2)27-9-7-8-24-19(25)11-17-15(5)21-18(29-23(17)26)10-13(3)20-14(4)16(6)28-22(20)21/h10,12H,7-9,11H2,1-6H3,(H,24,25)	C23H29NO5	399.48	6	1	77.77	3	8	0	1.2302	4.06353000000001	3.33	3.351	79.1691	115.3657	3.1158	383.987411798708
Cond-002662	NPD2755	NPD2755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0065029436	Cc1ccc(CN2COc3c(C2)cc2c(cc(=O)oc2c3C)c2ccccc2)cc1	InChI=1S/C26H23NO3/c1-17-8-10-19(11-9-17)14-27-15-21-12-23-22(20-6-4-3-5-7-20)13-24(28)30-26(23)18(2)25(21)29-16-27/h3-13H,14-16H2,1-2H3	C26H23NO3	397.466	4	0	38.77	5	3	1	1.2462	4.87391000000001	3.88	8.093	44.4947	119.119	3.0319	372.136160070385
Cond-002663	NPD2756	NPD2756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.8764574547	COc1cc(cc(OC)c1OC)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC(O)c1ccccc1	InChI=1S/C29H27N3O5/c1-35-24-13-18(14-25(36-2)28(24)37-3)26-27-20(19-11-7-8-12-21(19)31-27)15-22(32-26)29(34)30-16-23(33)17-9-5-4-6-10-17/h4-15,23,31,33H,16H2,1-3H3,(H,30,34)	C29H27N3O5	497.542	8	3	105.7	5	9	1	-1.7097	4.87647000000001	3.77	5.139	43.3636	148.0685	3.68560000000001	436.525170363842
Cond-002664	NPD2757	NPD2757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.9407054013	CCc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OCc3ccccc3)ccc12	InChI=1S/C22H21NO6/c1-3-16-11-19(24)29-21-14(2)18(10-9-17(16)21)28-20(25)12-23-22(26)27-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,23,26)	C22H21NO6	395.405	7	1	90.93	3	9	1	0.658	4.02679	3.11	5.161	55.5264	110.0627	2.9046	367.572277771002
Cond-002665	NPD2758	NPD2758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5325987823	CC(Oc1ccc2c(oc(=O)cc2c2ccccc2)c1)C(=O)NCc1ccncc1	InChI=1S/C24H20N2O4/c1-16(24(28)26-15-17-9-11-25-12-10-17)29-19-7-8-20-21(18-5-3-2-4-6-18)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)	C24H20N2O4	400.427	6	1	77.52	4	7	1	-0.8087	3.72847	3.44	5.858	38.3094	115.2577	2.9742	367.05117772738
Cond-002666	NPD2759	NPD2759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.7167850756	CCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1ccc(C)cc1	InChI=1S/C23H23N3O/c1-3-4-13-24-23(27)20-14-18-17-7-5-6-8-19(17)25-22(18)21(26-20)16-11-9-15(2)10-12-16/h5-12,14,25H,3-4,13H2,1-2H3,(H,24,27)	C23H23N3O	357.448	4	2	57.78	4	6	1	-0.9263	5.28629000000001	3.55	6.541	32.6777	116.3367	2.843	328.754190609597
Cond-002667	NPD276	NPD276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.349011759	[Na+].[Na+].C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]	InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15?,16?,17?,19+,20+,21+,22+;;/m1../s1	C22H28FNa2O8P	516.405	8	2	156.83	4	4	0	-2.2354	-0.145029999999997	2.78	-0.52	107.039	102.8866	3.2509	422.676618025464
Cond-002668	NPD2760	NPD2760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.4217315803	COc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC(O)c1ccccc1	InChI=1S/C28H25N3O4/c1-34-24-13-12-18(14-25(24)35-2)26-27-20(19-10-6-7-11-21(19)30-27)15-22(31-26)28(33)29-16-23(32)17-8-4-3-5-9-17/h3-15,23,30,32H,16H2,1-2H3,(H,29,33)	C28H25N3O4	467.516	7	3	96.47	5	8	1	-1.6579	4.86787000000001	3.77	5.583	36.0478	141.5165	3.48600000000001	410.438959037414
Cond-002669	NPD2762	NPD2762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2482661623	Cc1ccc2c(oc(=O)cc2c2cc3c(o2)ccc(Br)c3)c1	InChI=1S/C18H11BrO3/c1-10-2-4-13-14(9-18(20)22-16(13)6-10)17-8-11-7-12(19)3-5-15(11)21-17/h2-9H,1H3	C18H11BrO3	355.182	3	0	39.44	4	1	1	1.4511	5.05208	3	5.454	31.0354	93.115	2.1745	259.684517935251
Cond-002670	NPD2763	NPD2763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9901840491	COc1ccc(cc1)C(=O)Oc1cc(cc(=O)c2c(C)oc(C)c12)c1cc2c(OCO2)cc1	InChI=1S/C26H20O7/c1-14-24-20(27)10-18(17-6-9-21-22(11-17)31-13-30-21)12-23(25(24)15(2)32-14)33-26(28)16-4-7-19(29-3)8-5-16/h4-12H,13H2,1-3H3	C26H20O7	444.433	7	0	84.2	5	5	0	0.202	4.6353	3.55	4.484	58.1794	122.6345	3.1239	393.663847963663
Cond-002671	NPD2765	NPD2765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7208171684	Cc1c(C)cc(cc1)N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C24H25NO3/c1-14-8-9-18(10-15(14)2)25-12-17-11-21-19-6-4-5-7-20(19)24(26)28-23(21)16(3)22(17)27-13-25/h8-11H,4-7,12-13H2,1-3H3	C24H25NO3	375.46	4	0	38.77	5	1	1	1.3365	5.66882000000001	3.66	5.652	59.6936	112.742	2.8791	356.353566921052
Cond-002672	NPD2767	NPD2767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.1353605897	Cc1cc(COc2ccc3c(=O)c(coc3c2)c2ccccc2)c(C)cc1	InChI=1S/C24H20O3/c1-16-8-9-17(2)19(12-16)14-26-20-10-11-21-23(13-20)27-15-22(24(21)25)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3	C24H20O3	356.414	3	0	35.53	4	4	1	0.4748	4.88481	3.77	8.566	32.6408	107.138	2.7589	338.903889311285
Cond-002673	NPD2768	NPD2768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5032792544	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(CC)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1c(OC)cccc1	InChI=1S/C31H29N3O4/c1-3-18-14-15-23-21(17-18)31(29(37)33-23)30(20-10-5-6-11-22(20)32-28(30)36)26(24-12-8-16-34(24)31)27(35)19-9-4-7-13-25(19)38-2/h4-7,9-11,13-15,17,24,26H,3,8,12,16H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,30+,31+/m0/s1	C31H29N3O4	507.58	7	2	87.74	7	4	0	-2.6793	5.41988000000001	4.1	4.827	63.2717	146.6369	3.7345	462.050454214214
Cond-002674	NPD2769	NPD2769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9885576781	COc1cc(OC)c(Cl)cc1N1COc2ccc3c4c(CCCC4)c(=O)oc3c2C1	InChI=1S/C23H22ClNO5/c1-27-20-10-21(28-2)18(9-17(20)24)25-11-16-19(29-12-25)8-7-14-13-5-3-4-6-15(13)23(26)30-22(14)16/h7-10H,3-6,11-12H2,1-2H3	C23H22ClNO5	427.877	6	0	57.23	5	3	0	0.0512000000000015	6.25536	3.22	3.891	63.4345	119.936	2.978	371.849103466741
Cond-002675	NPD277	NPD277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.0870140925	CC(=O)OCC1OC(OC2=CC(=O)c3c(cccc3O)C2=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C	InChI=1S/C24H24O13/c1-10(25)32-9-18-21(33-11(2)26)22(34-12(3)27)23(35-13(4)28)24(37-18)36-17-8-16(30)19-14(20(17)31)6-5-7-15(19)29/h5-8,18,21-24,29H,9H2,1-4H3	C24H24O13	520.44	13	1	178.03	3	11	2	-1.7644	0.91488	2.67	0.861	94.4117	120.8648	3.4975	463.599073718496
Cond-002676	NPD2770	NPD2770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0396039604	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cn1c(O)nc2ccccc2c1=O	InChI=1S/C21H18N4O5/c26-18(11-25-19(27)14-6-2-4-8-16(14)24-21(25)30)23-17(20(28)29)9-12-10-22-15-7-3-1-5-13(12)15/h1-8,10,17,22H,9,11H2,(H,23,26)(H,24,30)(H,28,29)/t17-/m0/s1	C21H18N4O5	406.391	9	4	135.09	4	7	0	-1.7895	2.03617	2.78	2.753	46.63	114.3028	2.8528	348.583429667474
Cond-002677	NPD2771	NPD2771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.697576968	Cc1c2oc(=O)c(CC(=O)N3CCC(CC3)C(=O)O)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C25H29NO6/c1-13-16-10-18-19(25(3,4)5)12-31-21(18)14(2)22(16)32-24(30)17(13)11-20(27)26-8-6-15(7-9-26)23(28)29/h10,12,15H,6-9,11H2,1-5H3,(H,28,29)	C25H29NO6	439.501	7	1	97.05	4	5	0	1.1343	4.71609000000001	3.44	3.333	83.9994	122.5818	3.3047	412.376690349402
Cond-002678	NPD2772	NPD2772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9016716801	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O	InChI=1S/C31H30ClN3O7/c1-15-10-18-27(19(32)11-15)33-30(40)31(18)26-25(20(34-31)12-17-4-6-21(36)22(37)13-17)28(38)35(29(26)39)9-8-16-5-7-23(41-2)24(14-16)42-3/h4-7,10-11,13-14,20,25-26,34,36-37H,8-9,12H2,1-3H3,(H,33,40)/t20?,25-,26+,31?/m1/s1	C31H30ClN3O7	592.039	10	4	137.43	6	7	0	-1.7465	3.54981000000001	3.66	2.855	80.9765	155.723	4.1416	515.988660787131
Cond-002679	NPD2773	NPD2773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.8810028161	[C@@H]1(OC(=O)CCC(=O)NCC(OC)OC)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C23H37NO9/c1-13-6-7-16-14(2)20(29-18(26)9-8-17(25)24-12-19(27-4)28-5)30-21-23(16)15(13)10-11-22(3,31-21)32-33-23/h13-16,19-21H,6-12H2,1-5H3,(H,24,25)/t13-,14-,15+,16+,20-,21-,22+,23?/m1/s1	C23H37NO9	471.541	10	1	110.78	3	10	0	0.0929000000000033	2.48679	2.89	2.509	104.3916	116.2127	3.457	441.774153404153
Cond-002680	NPD2774	NPD2774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2879059574	COc1cc(OC)c(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2ccc(OC)c3OC)cc1	InChI=1S/C23H24N2O8/c1-29-12-5-7-14(17(11-12)31-3)24-21(27)15-8-10-18(26)25(15)22-13-6-9-16(30-2)20(32-4)19(13)23(28)33-22/h5-7,9,11,15,22H,8,10H2,1-4H3,(H,24,27)/t15-,22?/m0/s1	C23H24N2O8	456.445	10	1	112.63	4	8	0	-1.846	2.80179	2.89	2.012	64.399	118.4987	3.1971	403.725476006158
Cond-002681	NPD2775	NPD2775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1458182635	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3cc4c(OCCO4)cc3)c1C)c2	InChI=1S/C24H21NO6/c1-13-12-30-20-11-21-18(10-17(13)20)14(2)16(24(27)31-21)4-6-23(26)25-15-3-5-19-22(9-15)29-8-7-28-19/h3,5,9-12H,4,6-8H2,1-2H3,(H,25,26)	C24H21NO6	419.427	7	1	87	5	5	0	0.2928	5.99627	3.33	2.883	56.3121	119.9247	2.9692	366.551329621135
Cond-002682	NPD2776	NPD2776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.939467903	CSC[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(C)cc3)cc2oc1=O)C(=O)O	InChI=1S/C25H23NO6S/c1-13-4-6-15(7-5-13)19-11-31-21-10-22-16(8-18(19)21)14(2)17(25(30)32-22)9-23(27)26-20(12-33-3)24(28)29/h4-8,10-11,20H,9,12H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1	C25H23NO6S	465.518	7	2	131.14	4	8	1	0.823	4.74319000000001	3.33	5.231	67.5286	131.2105	3.3392	412.076338304602
Cond-002683	NPD2777	NPD2777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.683033332	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCc1c(F)cccc1)c1ccc(OC)cc1	InChI=1S/C35H29FN4O4/c1-44-23-16-14-22(15-17-23)32-31-26(24-9-3-6-12-28(24)38-31)20-30-34(42)40(35(43)39(30)32)29-13-7-4-10-25(29)33(41)37-19-18-21-8-2-5-11-27(21)36/h2-17,30,32,38H,18-20H2,1H3,(H,37,41)/t30-,32?/m0/s1	C35H29FN4O4	588.628	8	2	94.74	7	8	1	-1.2564	5.30488000000001	4.32	7.461	54.564	167.0177	4.24360000000001	515.952876972953
Cond-002684	NPD2778	NPD2778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2208933366	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NCc1ccccc1	InChI=1S/C22H24N2O4S/c1-22(2)18(19(25)23-12-13-8-6-5-7-9-13)24-20(26)16-14(21(24)29-22)10-11-15(27-3)17(16)28-4/h5-11,18,21H,12H2,1-4H3,(H,23,25)/t18-,21?/m1/s1	C22H24N2O4S	412.502	6	1	93.17	4	6	0	-0.2018	2.7111	3.11	3.871	62.2886	113.9567	3.0279	372.414067336447
Cond-002685	NPD2779	NPD2779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.996289009	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccccc1)c1ccccc1	InChI=1S/C33H26N4O3/c38-31(34-20-21-11-3-1-4-12-21)24-16-8-10-18-27(24)37-32(39)28-19-25-23-15-7-9-17-26(23)35-29(25)30(36(28)33(37)40)22-13-5-2-6-14-22/h1-18,28,30,35H,19-20H2,(H,34,38)/t28-,30?/m0/s1	C33H26N4O3	526.585	7	2	85.51	7	6	1	-1.9399	4.77518000000001	4.32	8.643	41.9239	154.8847	3.88540000000001	466.503122170353
Cond-002686	NPD278	NPD278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.710453821	Cc1c2oc(=O)c(Cc3ccccc3)c(C)c2cc2c1occ2c1cc2c(OCO2)cc1	InChI=1S/C27H20O5/c1-15-19-12-21-22(18-8-9-23-24(11-18)31-14-30-23)13-29-25(21)16(2)26(19)32-27(28)20(15)10-17-6-4-3-5-7-17/h3-9,11-13H,10,14H2,1-2H3	C27H20O5	424.445	5	0	57.9	6	3	1	1.2689	6.89288	3.88	6.863	38.8665	126.975	3.0388	370.122920487608
Cond-002687	NPD2780	NPD2780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.994842853	[C@@H]12CC3=CCCC(C)[C@@]3(C)C(O)[C@@H]1C(CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)O2	InChI=1S/C27H36N2O4/c1-17-5-4-6-20-15-23-24(25(31)27(17,20)3)22(26(32)33-23)16-28-11-13-29(14-12-28)21-9-7-19(8-10-21)18(2)30/h6-10,17,22-25,31H,4-5,11-16H2,1-3H3/t17?,22?,23-,24-,25?,27-/m1/s1	C27H36N2O4	452.586	6	1	70.08	5	4	0	-0.0211000000000012	3.98337000000001	3.77	2.763	101.7293	130.5683	3.5463	444.201425108981
Cond-002688	NPD2781	NPD2781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5720210324	Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C23H30N2O5/c1-15-17-12-16-4-5-23(2,3)30-19(16)14-20(17)29-22(27)18(15)13-21(26)24-6-7-25-8-10-28-11-9-25/h12,14H,4-11,13H2,1-3H3,(H,24,26)	C23H30N2O5	414.495	7	1	77.1	4	6	0	0.714199999999997	3.37396	3.22	1.81	89.1575	118.8877	3.15	396.164172006875
Cond-002689	NPD2782	NPD2782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.102772607	Cc1c(C)cc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H21NO3/c1-14-8-9-18(10-15(14)2)25-12-17-11-21-19-6-4-5-7-20(19)24(26)28-23(21)16(3)22(17)27-13-25/h4-11H,12-13H2,1-3H3	C24H21NO3	371.428	4	0	38.77	5	1	1	1.7111	5.58743	3.66	6.813	36.2612	113.838	2.7931	340.180649519452
Cond-002690	NPD2783	NPD2783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.270161972	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC(CC1)C(=O)O	InChI=1S/C29H34N4O6/c1-18(2)16-23(27(36)32-14-12-20(13-15-32)28(37)38)30-25(34)24(17-19-8-4-3-5-9-19)33-26(35)21-10-6-7-11-22(21)31-29(33)39/h3-11,18,20,23-24H,12-17H2,1-2H3,(H,30,34)(H,31,39)(H,37,38)/t23-,24-/m0/s1	C29H34N4O6	534.603	10	3	139.61	4	11	2	-1.8282	3.28488	3.55	5.963	87.1211	148.6528	4.0387	506.64153337497
Cond-002691	NPD2784	NPD2784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.6372737584	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N([C@H](C)c1ccccc1)C2=O	InChI=1S/C25H25ClN4O4/c1-12-16(26)9-8-15-21(12)28-24(34)25(15)20-19(17(29-25)10-11-18(27)31)22(32)30(23(20)33)13(2)14-6-4-3-5-7-14/h3-9,13,17,19-20,29H,10-11H2,1-2H3,(H2,27,31)(H,28,34)/t13-,17?,19-,20+,25?/m1/s1	C25H25ClN4O4	480.943	8	4	121.6	5	5	0	-1.939	2.32161	3.22	2.301	71.3852	126.6378	3.41450000000001	425.368209240814
Cond-002692	NPD2785	NPD2785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.7853142502	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C30H31NO6/c1-17-22(12-13-27(32)31-16-19-8-10-21(11-9-19)29(33)34)30(35)37-25-15-26-24(14-23(17)25)28(18(2)36-26)20-6-4-3-5-7-20/h3-7,14-15,19,21H,8-13,16H2,1-2H3,(H,31,32)(H,33,34)/t19?,21-	C30H31NO6	501.57	7	2	105.84	5	8	1	0.7187	6.18889000000001	3.99	5.917	80.043	146.4015	3.7716	467.690778675536
Cond-002693	NPD2786	NPD2786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7359151503	COc1c(cccc1)c1coc2cc(OCC(=O)c3ccccc3)ccc2c1=O	InChI=1S/C24H18O5/c1-27-22-10-6-5-9-18(22)20-14-29-23-13-17(11-12-19(23)24(20)26)28-15-21(25)16-7-3-2-4-8-16/h2-14H,15H2,1H3	C24H18O5	386.397	5	0	61.83	4	6	1	-1.3382	4.85957	3.55	6.117	34.1482	112.6595	2.8333	353.847884011607
Cond-002694	NPD2787	NPD2787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0559178028	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O	InChI=1S/C19H25N3O6/c1-11(2)17(19(27)20-9-16(24)25)21-18(26)12-8-15(23)22(10-12)13-4-6-14(28-3)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H,20,27)(H,21,26)(H,24,25)/t12?,17-/m0/s1	C19H25N3O6	391.418	9	3	125.04	2	10	0	-2.0803	1.15068	2.56	0.295000000000001	71.8952	104.5352	2.9191	368.843679112935
Cond-002695	NPD2788	NPD2788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6464910517	COc1ccccc1CNC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O	InChI=1S/C20H19NO6/c1-11-14(20(25)27-17-8-13(22)7-15(23)19(11)17)9-18(24)21-10-12-5-3-4-6-16(12)26-2/h3-8,22-23H,9-10H2,1-2H3,(H,21,24)	C20H19NO6	369.368	7	3	105.09	3	6	0	-0.9333	3.27337	2.89	1.845	48.8201	103.2713	2.6658	335.616767220068
Cond-002696	NPD279	NPD279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.083562672	CC(NC(=O)C1(CCCC1)c1ccccc1)C1COc2c(O1)cccc2	InChI=1S/C22H25NO3/c1-16(20-15-25-18-11-5-6-12-19(18)26-20)23-21(24)22(13-7-8-14-22)17-9-3-2-4-10-17/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H,23,24)	C22H25NO3	351.439	4	1	47.56	4	5	1	-1.8019	4.57778000000001	3.44	6.147	46.2609	105.8497	2.7489	336.754515070919
Cond-002697	NPD2790	NPD2790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	23.7397612918	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCCc1ccccc1	InChI=1S/C27H30N4O3/c1-17(2)22(24(32)28-15-13-18-9-5-4-6-10-18)31-25(33)27(3)23-20(14-16-30(27)26(31)34)19-11-7-8-12-21(19)29-23/h4-12,17,22,29H,13-16H2,1-3H3,(H,28,32)/t22-,27-/m0/s1	C27H30N4O3	458.552	7	2	85.51	5	7	1	-0.701600000000001	3.40298	3.66	5.371	69.5797	134.0227	3.5152	425.058884021553
Cond-002698	NPD2791	NPD2791	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.6702530385	CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)NCCC(=O)O	InChI=1S/C25H30N2O7S/c1-12-15(4)33-22-14(3)23-17(10-16(12)22)13(2)18(25(32)34-23)11-20(28)27-19(7-9-35-5)24(31)26-8-6-21(29)30/h10,19H,6-9,11H2,1-5H3,(H,26,31)(H,27,28)(H,29,30)/t19-/m0/s1	C25H30N2O7S	502.58	9	3	160.24	3	12	1	1.0281	3.14374	3.11	2.298	98.3777	137.9052	3.6923	460.39270131573
Cond-002699	NPD2792	NPD2792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2268423219	Fc1ccc(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Br)ccc2)cc1	InChI=1S/C25H17BrFN3O/c26-17-5-3-4-16(12-17)23-24-20(19-6-1-2-7-21(19)29-24)13-22(30-23)25(31)28-14-15-8-10-18(27)11-9-15/h1-13,29H,14H2,(H,28,31)	C25H17BrFN3O	474.324	4	2	57.78	5	5	1	0.3249	6.22047	3.55	6.903	24.9253	129.9697	3.07990000000001	357.531502886003
Cond-002700	NPD2793	NPD2793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.4619188922	CC1(C)CCc2c3oc(=O)cc(c4ccccc4)c3c(OCC(=O)NCc3ncccc3)cc2O1	InChI=1S/C28H26N2O5/c1-28(2)12-11-20-22(35-28)15-23(33-17-24(31)30-16-19-10-6-7-13-29-19)26-21(14-25(32)34-27(20)26)18-8-4-3-5-9-18/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,30,31)	C28H26N2O5	470.516	7	1	86.75	5	7	1	-0.146700000000001	5.40426000000001	3.77	6.345	58.3542	137.0587	3.4879	432.668884230608
Cond-002701	NPD2794	NPD2794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.439687114	COc1ccc(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2c(OC)cccc2)cc1	InChI=1S/C30H29N3O4/c1-30-28-27(22-9-4-6-10-24(22)31-28)23(21-8-5-7-11-25(21)37-3)17-33(30)26(34)18-32(29(30)35)16-19-12-14-20(36-2)15-13-19/h4-15,23,31H,16-18H2,1-3H3/t23?,30-/m0/s1	C30H29N3O4	495.569	7	1	74.87	6	5	0	-1.8519	3.93139000000001	3.99	4.739	58.4094	143.133	3.7022	446.210928289147
Cond-002702	NPD2795	NPD2795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5126519227	COc1c(OC)cc(CCNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2c(C)cccc2)cc1	InChI=1S/C29H27N3O3/c1-18-8-4-5-9-20(18)27-28-22(21-10-6-7-11-23(21)31-28)17-24(32-27)29(33)30-15-14-19-12-13-25(34-2)26(16-19)35-3/h4-13,16-17,31H,14-15H2,1-3H3,(H,30,33)	C29H27N3O3	465.543	6	2	76.24	5	8	1	-0.2496	5.80080000000001	3.99	6.936	40.0392	144.9447	3.5682	418.944716962719
Cond-002703	NPD2796	NPD2796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.8401591388	Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccccc34)ccc12	InChI=1S/C22H20N2O4/c1-14-10-22(26)28-20-11-16(6-7-17(14)20)27-13-21(25)23-9-8-15-12-24-19-5-3-2-4-18(15)19/h2-7,10-12,24H,8-9,13H2,1H3,(H,23,25)	C22H20N2O4	376.405	6	2	80.42	4	7	0	-0.4275	3.70316	3.22	3.572	46.9038	111.9507	2.7784	337.732125877246
Cond-002704	NPD2797	NPD2797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4544777971	Cc1c(CCC(=O)NCCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C32H34N2O7/c1-19-21(32(39)41-27-18-28-24(17-23(19)27)22-10-5-6-11-26(22)40-28)13-14-29(35)33-15-7-12-30(36)34-25(31(37)38)16-20-8-3-2-4-9-20/h2-4,8-9,17-18,25H,5-7,10-16H2,1H3,(H,33,35)(H,34,36)(H,37,38)/t25-/m1/s1	C32H34N2O7	558.622	9	3	134.94	5	13	2	-1.5331	4.97086000000001	3.99	5.594	88.3098	158.6802	4.1689	519.433276135197
Cond-002705	NPD2798	NPD2798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4530766586	Cc1c2oc(=O)c3c(CCCC3)c2ccc1OCC(=O)N1CCC(CC1)C(=O)N	InChI=1S/C22H26N2O5/c1-13-18(28-12-19(25)24-10-8-14(9-11-24)21(23)26)7-6-16-15-4-2-3-5-17(15)22(27)29-20(13)16/h6-7,14H,2-5,8-12H2,1H3,(H2,23,26)	C22H26N2O5	398.452	7	2	98.93	4	5	0	-2.1467	3.17139	3.11	1.496	75.1595	111.6674	2.9661	376.231728680208
Cond-002706	NPD2799	NPD2799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1602183023	Oc1ccc2c(cc(=O)oc2c1O)c1cc2c(oc1=O)ccc1ccccc21	InChI=1S/C22H12O6/c23-17-7-6-13-14(10-19(24)28-21(13)20(17)25)16-9-15-12-4-2-1-3-11(12)5-8-18(15)27-22(16)26/h1-10,23,25H	C22H12O6	372.327	6	2	93.06	5	1	1	-0.6651	3.92526	3.22	5.041	35.8345	104.1236	2.5016	315.689682759635
Cond-002707	NPD28	NPD28	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2518528976	CC1(C)Cc2c(ccc3c2cccc3)C(=N1)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C26H25N3O2/c1-26(2)14-21-18-8-4-3-7-16(18)11-12-20(21)24(29-26)28-23(25(30)31)13-17-15-27-22-10-6-5-9-19(17)22/h3-12,15,23,27H,13-14H2,1-2H3,(H,28,29)(H,30,31)	C26H25N3O2	411.496	5	3	77.48	5	5	1	-0.316200000000002	4.79037000000001	3.77	7.047	45.9287	129.2805	3.1728	374.439453786158
Cond-002708	NPD2800	NPD2800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.593203298	COc1cc(CNC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)ccc1	InChI=1S/C20H19NO6/c1-11-15(20(25)27-17-8-13(22)7-16(23)19(11)17)9-18(24)21-10-12-4-3-5-14(6-12)26-2/h3-8,22-23H,9-10H2,1-2H3,(H,21,24)	C20H19NO6	369.368	7	3	105.09	3	6	0	-0.9333	2.71787	2.89	1.634	48.8201	100.9443	2.6658	335.616767220068
Cond-002709	NPD2801	NPD2801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.568678042	CCCCc1cc(=O)oc2cc(OC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12	InChI=1S/C23H24ClNO6S/c1-4-5-6-16-11-22(26)30-20-13-21(19(24)12-18(16)20)31-23(27)15(3)25-32(28,29)17-9-7-14(2)8-10-17/h7-13,15,25H,4-6H2,1-3H3	C23H24ClNO6S	477.958	7	1	107.15	3	9	1	-0.135000000000002	5.19888	3	5.824	69.6749	120.0277	3.3744	421.224812925702
Cond-002710	NPD2802	NPD2802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.1879973061	CC(C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C34H39N3O8/c1-17(2)29(32(40)36-26(33(41)42)14-22-10-8-7-9-11-22)37-28(39)16-35-27(38)13-12-23-19(4)25-15-24-18(3)21(6)44-30(24)20(5)31(25)45-34(23)43/h7-11,15,17,26,29H,12-14,16H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)(H,41,42)/t26-,29-/m1/s1	C34H39N3O8	617.689	11	4	164.04	4	15	1	0.269199999999997	3.59143000000001	3.99	4.956	107.3272	170.7589	4.6748	583.532232295657
Cond-002711	NPD2803	NPD2803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0508474576	COc1ccc(cc1)N1COc2c(C1)cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C22H21NO4/c1-13-20-14(10-19-17-4-3-5-18(17)22(24)27-21(13)19)11-23(12-26-20)15-6-8-16(25-2)9-7-15/h6-10H,3-5,11-12H2,1-2H3	C22H21NO4	363.406	5	0	48	5	2	0	0.288700000000001	5.23128	3.33	3.782	53.0936	107.397	2.656	330.55182436988
Cond-002712	NPD2804	NPD2804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8654341212	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	InChI=1S/C31H37N5O3/c1-20(2)26(28(37)32-22-13-16-34(17-14-22)19-21-9-5-4-6-10-21)36-29(38)31(3)27-24(15-18-35(31)30(36)39)23-11-7-8-12-25(23)33-27/h4-12,20,22,26,33H,13-19H2,1-3H3,(H,32,37)/t26-,31-/m0/s1	C31H37N5O3	527.657	8	2	88.75	6	7	0	-1.5472	3.48538000000001	3.99	4.987	86.6714	152.9947	4.07	492.883124032387
Cond-002713	NPD2805	NPD2805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8089814838	COc1c(Cl)cc2c(oc(=O)c(CC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c2C)c1	InChI=1S/C21H24ClNO6/c1-11-14-7-16(22)18(28-2)9-17(14)29-21(27)15(11)8-19(24)23-10-12-3-5-13(6-4-12)20(25)26/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,23,24)(H,25,26)/t12-,13-	C21H24ClNO6	421.871	7	2	101.93	3	7	0	1.0634	3.99037	2.89	2.245	80.7574	111.1855	3.0151	384.296737017969
Cond-002714	NPD2806	NPD2806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6256266993	CC(C)[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C29H30N2O7/c1-14(2)25(27(33)31-26(28(34)35)18-9-7-6-8-10-18)30-24(32)12-21-16(4)20-11-19-15(3)17(5)37-22(19)13-23(20)38-29(21)36/h6-11,13-14,25-26H,12H2,1-5H3,(H,30,32)(H,31,33)(H,34,35)/t25-,26+/m0/s1	C29H30N2O7	518.558	9	3	134.94	4	10	0	0.338999999999998	3.84601000000001	3.66	4.723	80.0908	143.9632	3.8548	479.901780958397
Cond-002715	NPD2807	NPD2807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.4976963	COc1cc2c(cc1OC)c(O)c(C(=O)NCCCOC(C)C)c(O)n2	InChI=1S/C18H24N2O6/c1-10(2)26-7-5-6-19-17(22)15-16(21)11-8-13(24-3)14(25-4)9-12(11)20-18(15)23/h8-10H,5-7H2,1-4H3,(H,19,22)(H2,20,21,23)	C18H24N2O6	364.393	8	3	110.14	2	9	0	-2.0257	2.58168	2.56	2.297	56.3527	100.2773	2.7214	332.287392979702
Cond-002716	NPD2808	NPD2808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2502472799	COc1c(OC)cc2c(CCN3C2=CC(c2cc4c(OCO4)cc2)C2=C3CC(C)(C)CC2=O)c1	InChI=1S/C28H29NO5/c1-28(2)13-21-27(22(30)14-28)19(16-5-6-23-26(10-16)34-15-33-23)11-20-18-12-25(32-4)24(31-3)9-17(18)7-8-29(20)21/h5-6,9-12,19H,7-8,13-15H2,1-4H3	C28H29NO5	459.534	6	0	58.92	6	3	0	0.725399999999998	5.29322000000001	3.88	4.661	84.237	131.187	3.4085	417.225041424042
Cond-002717	NPD2809	NPD2809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.5276273023	CCCCCCCCOc1ccc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)cc1OC	InChI=1S/C31H42N2O3/c1-6-7-8-9-10-11-20-36-27-15-13-24(22-28(27)35-5)16-18-31-30(3,4)25-21-23(2)12-14-26(25)33(31)19-17-29(34)32-31/h12-16,18,21-22H,6-11,17,19-20H2,1-5H3,(H,32,34)/b18-16+	C31H42N2O3	490.677	5	1	50.8	4	11	2	-0.402200000000003	7.06799000000001	4.32	8.284	88.3623	149.4487	4.0738	500.778678211087
Cond-002718	NPD281	NPD281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0590442832	CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C25H36O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h5,18-21,29H,6-14H2,1-4H3/t18?,19?,20?,21?,23-,24-,25-/m0/s1	C25H36O6	432.55	6	1	89.9	4	6	0	-0.253299999999998	3.90428000000001	3.55	3.485	112.6266	116.8198	3.3769	433.725764944436
Cond-002719	NPD2810	NPD2810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.0360001941	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOCCCC)c1ccc(C)cc1	InChI=1S/C34H36N4O4/c1-3-4-19-42-20-9-18-35-32(39)25-11-6-8-13-28(25)38-33(40)29-21-26-24-10-5-7-12-27(24)36-30(26)31(37(29)34(38)41)23-16-14-22(2)15-17-23/h5-8,10-17,29,31,36H,3-4,9,18-21H2,1-2H3,(H,35,39)/t29-,31?/m0/s1	C34H36N4O4	564.674	8	2	94.74	6	11	2	-2.2415	5.14930000000001	4.32	7.576	73.103	164.3457	4.3226	523.75516829998
Cond-002720	NPD2811	NPD2811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5828819068	COc1ccc(cc1)n1c(O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C22H20N4O4/c1-30-13-8-6-12(7-9-13)26-21(28)17(20(27)25-22(26)29)19-18-15(10-11-23-19)14-4-2-3-5-16(14)24-18/h2-9,19,23-24,27H,10-11H2,1H3,(H,25,29)	C22H20N4O4	404.419	8	4	110.18	5	3	0	-0.7086	3.26075	3	2.944	51.8138	117.8523	2.8694	347.36918759278
Cond-002721	NPD2812	NPD2812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.7679708601	Cc1c(CC(=O)NC(C(=O)O)c2ccccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C28H21NO6/c1-16-19-12-21-22(17-8-4-2-5-9-17)15-34-23(21)14-24(19)35-28(33)20(16)13-25(30)29-26(27(31)32)18-10-6-3-7-11-18/h2-12,14-15,26H,13H2,1H3,(H,29,30)(H,31,32)	C28H21NO6	467.469	7	2	105.84	5	7	1	-0.5235	5.38377	3.77	6.78	43.8241	133.8055	3.36080000000001	414.289433321402
Cond-002722	NPD2813	NPD2813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.633036597	COCCCNC(=O)COc1c2c3c(CCCC3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C24H31NO6/c1-24(2)10-9-17-18(31-24)13-19(29-14-20(26)25-11-6-12-28-3)21-15-7-4-5-8-16(15)23(27)30-22(17)21/h13H,4-12,14H2,1-3H3,(H,25,26)	C24H31NO6	429.506	7	1	83.09	4	8	0	-1.015	4.62106000000001	3.33	2.85	87.7028	121.7937	3.2498	411.253623125136
Cond-002723	NPD2814	NPD2814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.3582523793	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3cc(C)cc4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C26H29N3O3S/c1-15-13-16(2)22-18(14-15)26(25(32)27-22)21-20(19(28-26)10-12-33-3)23(30)29(24(21)31)11-9-17-7-5-4-6-8-17/h4-8,13-14,19-21,28H,9-12H2,1-3H3,(H,27,32)/t19?,20-,21+,26?/m1/s1	C26H29N3O3S	463.592	6	2	103.81	5	6	1	-0.4705	3.00643	3.55	5.283	77.3508	130.7724	3.481	428.811621945919
Cond-002724	NPD2815	NPD2815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.0236112472	COC(=O)c1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C25H19NO5/c1-29-25(28)17-7-9-18(10-8-17)26-14-21-22(30-15-26)12-11-19-20(13-23(27)31-24(19)21)16-5-3-2-4-6-16/h2-13H,14-15H2,1H3	C25H19NO5	413.422	6	0	65.07	5	4	1	-0.0382000000000007	5.47546	3.55	6.64	40.7667	121.2945	2.9654	369.784170144841
Cond-002725	NPD2816	NPD2816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5206248474	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCc3cc4c(OCO4)cc3)c1C)c2	InChI=1S/C23H19NO6/c1-12-10-27-19-8-20-16(6-15(12)19)13(2)17(23(26)30-20)7-22(25)24-9-14-3-4-18-21(5-14)29-11-28-18/h3-6,8,10H,7,9,11H2,1-2H3,(H,24,25)	C23H19NO6	405.4	7	1	87	5	5	0	0.2243	4.30178	3.22	2.794	50.9684	112.6587	2.8283	349.255344995269
Cond-002726	NPD2817	NPD2817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.649487876	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cc(CC)cc4)[C@@H]1C(=O)N(C2=O)c1ccc2OCOc2c1	InChI=1S/C29H25N3O7/c1-2-14-3-6-18-17(9-14)29(28(37)30-18)25-24(19(31-29)10-15-4-7-20(33)21(34)11-15)26(35)32(27(25)36)16-5-8-22-23(12-16)39-13-38-22/h3-9,11-12,19,24-25,31,33-34H,2,10,13H2,1H3,(H,30,37)/t19?,24-,25+,29?/m1/s1	C29H25N3O7	527.525	10	4	137.43	7	4	0	-3.2922	4.13207000000001	3.55	3.165	63.8858	144.024	3.6288	453.829165064164
Cond-002727	NPD2818	NPD2818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8952117955	[C@@H]12C(Cc3ccccc3)NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C28H24ClN3O3/c29-20-13-7-12-19-24(20)30-27(35)28(19)23-22(21(31-28)16-18-10-5-2-6-11-18)25(33)32(26(23)34)15-14-17-8-3-1-4-9-17/h1-13,21-23,31H,14-16H2,(H,30,35)/t21?,22-,23+,28?/m1/s1	C28H24ClN3O3	485.961	6	2	78.51	6	5	1	-1.3643	4.09339	3.77	7.027	55.7136	135.6494	3.48410000000001	428.939800107286
Cond-002728	NPD2819	NPD2819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0746834502	Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C29H26N2O6/c1-15-19-11-21-18-7-3-5-9-24(18)36-26(21)13-25(19)37-29(35)20(15)12-27(32)31-23(28(33)34)10-16-14-30-22-8-4-2-6-17(16)22/h2,4,6,8,11,13-14,23,30H,3,5,7,9-10,12H2,1H3,(H,31,32)(H,33,34)/t23-/m0/s1	C29H26N2O6	498.527	8	3	121.63	6	7	0	-1.1395	5.08895000000001	3.77	4.336	67.1299	145.1495	3.5789	435.498636856236
Cond-002729	NPD282	NPD282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.1136279609	COc1ccc(cc1)C1CC(=Nc2c(S1)cccc2)c1c(O)cc(C)oc1=O	InChI=1S/C22H19NO4S/c1-13-11-18(24)21(22(25)27-13)17-12-20(14-7-9-15(26-2)10-8-14)28-19-6-4-3-5-16(19)23-17/h3-11,20,24H,12H2,1-2H3	C22H19NO4S	393.456	5	1	93.42	4	3	0	0.496099999999999	4.92036	3.22	4.704	62.034	111.9898	2.8421	356.144389726679
Cond-002730	NPD2820	NPD2820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.465740087	[C@H]1(Cc2c(CN1C(=O)COc1c(Cl)cc3c(CC)cc(=O)oc3c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C26H23ClN2O6/c1-3-14-8-25(31)35-22-11-23(18(27)9-16(14)22)34-13-24(30)29-12-20-17(10-21(29)26(32)33-2)15-6-4-5-7-19(15)28-20/h4-9,11,21,28H,3,10,12-13H2,1-2H3/t21-/m0/s1	C26H23ClN2O6	494.924	8	1	97.93	5	7	0	-0.357400000000001	4.17476000000001	3.33	3.944	73.0926	134.166	3.4302	424.714668150669
Cond-002731	NPD2821	NPD2821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5186051954	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CCCC1	InChI=1S/C24H30N4O3/c1-14(2)19(21(29)25-15-8-4-5-9-15)28-22(30)24(3)20-17(12-13-27(24)23(28)31)16-10-6-7-11-18(16)26-20/h6-7,10-11,14-15,19,26H,4-5,8-9,12-13H2,1-3H3,(H,25,29)/t19-,24-/m0/s1	C24H30N4O3	422.52	7	2	85.51	5	5	0	-2.1712	3.10288	3.33	2.942	75.46	121.2657	3.2215	391.980306246353
Cond-002732	NPD2823	NPD2823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.759178594	O=c1oc2c3CN(Cc4cc5c(OCO5)cc4)COc3ccc2c2c1cccc2	InChI=1S/C23H17NO5/c25-23-17-4-2-1-3-15(17)16-6-8-19-18(22(16)29-23)11-24(12-26-19)10-14-5-7-20-21(9-14)28-13-27-20/h1-9H,10-13H2	C23H17NO5	387.385	6	0	57.23	6	2	0	-0.505999999999999	4.86187	3.33	4.826	31.9392	112.986	2.661	328.108659593907
Cond-002733	NPD2824	NPD2824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6491623396	Cc1c(C)c2cc3c(OCN(C3)c3ccc(cc3)C(C)(C)C)c(C)c2oc1=O	InChI=1S/C24H27NO3/c1-14-15(2)23(26)28-22-16(3)21-17(11-20(14)22)12-25(13-27-21)19-9-7-18(8-10-19)24(4,5)6/h7-11H,12-13H2,1-6H3	C24H27NO3	377.476	4	0	38.77	4	2	1	3.3439	6.37608000000001	3.66	6.424	63.2664	117.042	2.9877	368.710025621852
Cond-002734	NPD2825	NPD2825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9072686582	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(C(C)CC)C2=O	InChI=1S/C27H28N4O3/c1-4-15(3)31-24(32)21-20(12-16-13-28-19-11-6-5-9-17(16)19)30-27(22(21)25(31)33)18-10-7-8-14(2)23(18)29-26(27)34/h5-11,13,15,20-22,28,30H,4,12H2,1-3H3,(H,29,34)/t15?,20?,21-,22+,27?/m1/s1	C27H28N4O3	456.536	7	3	94.3	6	4	0	-2.39	3.42840000000001	3.66	3.406	67.843	132.3494	3.40660000000001	412.702425320753
Cond-002735	NPD2826	NPD2826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2193974092	CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C18H33N3O4/c1-10(2)14(19)17(23)20-9-12-5-7-13(8-6-12)16(22)21-15(11(3)4)18(24)25/h10-15H,5-9,19H2,1-4H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15-/m0/s1	C18H33N3O4	355.472	7	5	121.52	1	10	0	-0.844500000000001	1.35159	2.67	-1.162	90.4494	98.9186000000001	2.9414	367.769534589947
Cond-002736	NPD2827	NPD2827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.3932942284	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O	InChI=1S/C28H32N4O6/c1-3-17(2)23(26(35)31-15-9-14-21(31)27(36)37)30-24(33)22(16-18-10-5-4-6-11-18)32-25(34)19-12-7-8-13-20(19)29-28(32)38/h4-8,10-13,17,21-23H,3,9,14-16H2,1-2H3,(H,29,38)(H,30,33)(H,36,37)/t17?,21-,22+,23+/m1/s1	C28H32N4O6	520.577	10	3	139.61	4	11	2	-2.784	3.03728	3.44	5.827	80.7361	144.0838	3.89780000000001	489.345548749103
Cond-002737	NPD2828	NPD2828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.3487560017	CC(=O)COc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1C	InChI=1S/C20H16O6/c1-11(21)9-23-15-6-4-14-19(22)18(26-20(14)12(15)2)8-13-3-5-16-17(7-13)25-10-24-16/h3-8H,9-10H2,1-2H3/b18-8-	C20H16O6	352.337	6	0	71.06	4	4	0	-0.6674	3.86929	3	3.143	46.5371	98.106	2.4574	312.263548311101
Cond-002738	NPD2829	NPD2829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.151926477	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1)c1ccc(OC)cc1	InChI=1S/C34H27FN4O4/c1-43-25-16-10-21(11-17-25)31-30-27(26-4-2-3-5-28(26)37-30)18-29-33(41)38(34(42)39(29)31)24-14-8-22(9-15-24)32(40)36-19-20-6-12-23(35)13-7-20/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27FN4O4	574.601	8	2	94.74	7	7	1	-1.512	4.92288000000001	4.21	6.681	50.1122	161.3947	4.10270000000001	498.656892347087
Cond-002739	NPD283	NPD283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.4244657514	[C@@H]12CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C1(CCCC2)C(=O)C)OS(=O)(=O)c1ccc(C)cc1	InChI=1S/C32H44O4S/c1-21-8-11-26(12-9-21)37(34,35)36-25-14-17-30(3)23(19-25)10-13-27-28(30)15-18-31(4)29(27)20-24-7-5-6-16-32(24,31)22(2)33/h8-12,24-25,27-29H,5-7,13-20H2,1-4H3/t24-,25?,27?,28?,29?,30+,31+,32?/m1/s1	C32H44O4S	524.754	4	0	68.82	6	4	1	-0.267500000000002	7.80079000000001	4.43	8.356	117.2086	142.968	4.1491	517.476851879581
Cond-002740	NPD2830	NPD2830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8893922978	[C@@H]12[C@H](CCC(=O)O)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccc(OC)cc1	InChI=1S/C23H21N3O6/c1-32-13-8-6-12(7-9-13)26-20(29)18-16(10-11-17(27)28)25-23(19(18)21(26)30)14-4-2-3-5-15(14)24-22(23)31/h2-9,16,18-19,25H,10-11H2,1H3,(H,24,31)(H,27,28)/t16-,18+,19-,23-/m0/s1	C23H21N3O6	435.429	9	3	125.04	5	5	0	-2.983	2.55968	3	1.552	58.0645	116.4082	3.0279	382.148865411602
Cond-002741	NPD2831	NPD2831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.435594275	CC(CN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1)c1ccccc1	InChI=1S/C28H27NO3/c1-19(22-11-7-4-8-12-22)16-29-17-25-26(31-18-29)14-13-23-20(2)24(28(30)32-27(23)25)15-21-9-5-3-6-10-21/h3-14,19H,15-18H2,1-2H3	C28H27NO3	425.519	4	0	38.77	5	5	1	1.1049	6.34537000000001	4.1	9.119	50.9839	131.392	3.3137	406.728129322119
Cond-002742	NPD2832	NPD2832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.012954248	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(C)C)c1cc(OC)ccc1	InChI=1S/C31H30N4O4/c1-18(2)17-32-29(36)22-12-5-7-14-25(22)35-30(37)26-16-23-21-11-4-6-13-24(21)33-27(23)28(34(26)31(35)38)19-9-8-10-20(15-19)39-3/h4-15,18,26,28,33H,16-17H2,1-3H3,(H,32,36)/t26-,28?/m0/s1	C31H30N4O4	522.594	8	2	94.74	6	7	1	-1.4188	4.57908000000001	3.99	5.736	63.5075	151.7517	3.89990000000001	471.867214422381
Cond-002743	NPD2833	NPD2833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9920430611	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NC(C)C)C(=O)[C@]34C)c2c1	InChI=1S/C21H26N4O4/c1-11(2)22-18(26)12(3)25-19(27)21(4)17-14(8-9-24(21)20(25)28)15-10-13(29-5)6-7-16(15)23-17/h6-7,10-12,23H,8-9H2,1-5H3,(H,22,26)/t12-,21-/m0/s1	C21H26N4O4	398.456	8	2	94.74	4	5	0	-1.49	1.94118	2.89	1.256	74.5577	111.5337	2.9661	361.239037770113
Cond-002744	NPD2836	NPD2836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.419969919	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)CC)C(=O)NCc1cc2c(OCO2)cc1	InChI=1S/C33H32N4O5/c1-3-18(2)28(32(39)34-16-19-12-13-26-27(14-19)42-17-41-26)36-31(38)25-15-23-20-8-6-7-11-24(20)35-29(23)30-21-9-4-5-10-22(21)33(40)37(25)30/h4-14,18,25,28,30,35H,3,15-17H2,1-2H3,(H,34,39)(H,36,38)/t18?,25-,28-,30?/m0/s1	C33H32N4O5	564.631	9	3	112.76	7	9	1	-3.0214	3.96368000000001	4.1	5.565	70.0633	160.4034	4.13180000000001	502.892951673875
Cond-002745	NPD2837	NPD2837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7746755996	OC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)c1ccc(O)cc1	InChI=1S/C25H21N3O6/c29-17-12-10-16(11-13-17)21(24(32)33)27-22(30)20(14-15-6-2-1-3-7-15)28-23(31)18-8-4-5-9-19(18)26-25(28)34/h1-13,20-21,29H,14H2,(H,26,34)(H,27,30)(H,32,33)/t20-,21+/m0/s1	C25H21N3O6	459.451	9	4	139.53	4	8	1	-1.7847	2.73738	3.22	5.569	44.6554	126.1756	3.28930000000001	410.287917261735
Cond-002746	NPD2838	NPD2838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3548785508	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NCCC(C)C)C(=O)[C@]34C)c2c1	InChI=1S/C23H30N4O4/c1-13(2)8-10-24-20(28)14(3)27-21(29)23(4)19-16(9-11-26(23)22(27)30)17-12-15(31-5)6-7-18(17)25-19/h6-7,12-14,25H,8-11H2,1-5H3,(H,24,28)/t14-,23-/m0/s1	C23H30N4O4	426.509	8	2	94.74	4	7	0	-1.2457	2.57888	3.11	2.231	81.254	120.7197	3.2479	395.831007021847
Cond-002747	NPD2839	NPD2839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0247925865	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N[C@H](C(C)O)C(=O)O)C2=O	InChI=1S/C21H27N3O6/c1-13(25)18(20(28)29)22-17(26)9-3-2-6-10-23-19(27)16-11-14-7-4-5-8-15(14)12-24(16)21(23)30/h4-5,7-8,13,16,18,25H,2-3,6,9-12H2,1H3,(H,22,26)(H,28,29)/t13?,16-,18+/m0/s1	C21H27N3O6	417.456	9	3	127.25	3	10	0	-3.143	0.780489999999999	2.78	1.454	75.6255	108.7883	3.0923	391.079189663869
Cond-002748	NPD284	NPD284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.8024035358	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#C)C3CCC2=C1	InChI=1S/C35H43N3O5/c1-5-35(41)17-14-28-26-11-10-23-19-24(12-15-33(23,2)27(26)13-16-34(28,35)3)38-43-21-31(39)37-30(32(40)42-4)18-22-20-36-29-9-7-6-8-25(22)29/h1,6-9,19-20,26-28,30,36,41H,10-18,21H2,2-4H3,(H,37,39)/b38-24+/t26?,27?,28?,30?,33-,34-,35+/m0/s1	C35H43N3O5	585.733	8	3	113.01	6	9	1	-0.00089999999999843	5.38055000000001	4.43	5.759	128.5039	170.7815	4.5514	568.553995520641
Cond-002749	NPD2840	NPD2840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.055162314	COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C	InChI=1S/C28H30N2O8/c1-15-19-10-11-23(37-3)16(2)25(19)38-28(36)20(15)14-24(32)29-21(13-17-6-8-18(31)9-7-17)26(33)30-12-4-5-22(30)27(34)35/h6-11,21-22,31H,4-5,12-14H2,1-3H3,(H,29,32)(H,34,35)/t21-,22-/m0/s1	C28H30N2O8	522.546	10	3	142.47	4	10	0	-1.5334	3.42199000000001	3.44	2.475	83.7526	142.1613	3.8156	484.932481733891
Cond-002750	NPD2841	NPD2841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9131304155	Cc1c(CC(=O)NCc2cc3c(OCO3)cc2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C26H23NO6/c1-14-17-9-19-16-4-2-3-5-20(16)32-23(19)11-22(17)33-26(29)18(14)10-25(28)27-12-15-6-7-21-24(8-15)31-13-30-21/h6-9,11H,2-5,10,12-13H2,1H3,(H,27,28)	C26H23NO6	445.464	7	1	87	6	5	0	-0.675700000000001	5.07865	3.55	3.878	60.6067	127.8237	3.1424	388.786840172069
Cond-002751	NPD2842	NPD2842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.50437749	COc1cc2c(cc([nH]2)C(=O)N2C[C@H]3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C21H21N3O3/c1-27-16-6-5-14-8-18(22-17(14)9-16)21(26)23-10-13-7-15(12-23)19-3-2-4-20(25)24(19)11-13/h2-6,8-9,13,15,22H,7,10-12H2,1H3/t13-,15?/m1/s1	C21H21N3O3	363.41	6	1	65.64	5	3	0	-1.8747	2.15507	3.11	1.277	69.9962	104.4225	2.656	326.459133459785
Cond-002752	NPD2843	NPD2843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7299055819	CCc1ccc(cc1)C1CN2C(c3c1c1ccccc1[nH]3)c1c(C2=O)c(OC)c(OC)cc1	InChI=1S/C28H26N2O3/c1-4-16-9-11-17(12-10-16)20-15-30-26(25-23(20)18-7-5-6-8-21(18)29-25)19-13-14-22(32-2)27(33-3)24(19)28(30)31/h5-14,20,26,29H,4,15H2,1-3H3	C28H26N2O3	438.518	5	1	54.56	6	4	1	-0.924999999999999	5.06480000000001	3.99	6.84	47.4066	130.782	3.3049	394.468430829486
Cond-002753	NPD2844	NPD2844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7199820677	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(=O)N)C(=O)O)c1cc(OC)ccc1	InChI=1S/C31H27N5O7/c1-43-17-8-6-7-16(13-17)27-26-20(18-9-2-4-11-21(18)33-26)14-24-29(39)36(31(42)35(24)27)23-12-5-3-10-19(23)28(38)34-22(30(40)41)15-25(32)37/h2-13,22,24,27,33H,14-15H2,1H3,(H2,32,37)(H,34,38)(H,40,41)/t22-,24-,27?/m0/s1	C31H27N5O7	581.575	12	5	175.13	6	9	1	-3.0002	2.51718	3.55	2.955	67.0603	157.5034	4.08980000000001	503.96173733063
Cond-002754	NPD2845	NPD2845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0163732308	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1c(OC)ccc(OC)c1	InChI=1S/C25H26N4O5/c1-4-28-12-11-16-15-7-5-6-8-17(15)26-21(16)22(28)20-23(30)27-25(32)29(24(20)31)18-13-14(33-2)9-10-19(18)34-3/h5-10,13,22,26,30H,4,11-12H2,1-3H3,(H,27,32)	C25H26N4O5	462.498	9	3	110.62	5	5	0	0.0259	4.00165000000001	3.22	3.162	68.7181	133.6486	3.3508	408.047368170941
Cond-002755	NPD2846	NPD2846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.1785438128	CCCCOCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OC)c(OCCC)cc1	InChI=1S/C32H41N3O5/c1-5-7-17-39-18-10-15-34-21-28(36)35-20-24(22-13-14-26(40-16-6-2)27(19-22)38-4)29-23-11-8-9-12-25(23)33-30(29)32(35,3)31(34)37/h8-9,11-14,19,24,33H,5-7,10,15-18,20-21H2,1-4H3/t24?,32-/m0/s1	C32H41N3O5	547.685	8	1	84.1	5	12	1	-3.1229	5.05769000000001	4.1	4.552	91.9122	158.188	4.2803	520.758959044641
Cond-002756	NPD2847	NPD2847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2365119353	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3c(C)c(C)ccc3)c1C)c2	InChI=1S/C24H23NO4/c1-13-6-5-7-20(15(13)3)25-23(26)9-8-17-16(4)19-10-18-14(2)12-28-21(18)11-22(19)29-24(17)27/h5-7,10-12H,8-9H2,1-4H3,(H,25,26)	C24H23NO4	389.444	5	1	68.54	4	5	0	1.8618	5.83503000000001	3.55	4.627	54.6537	114.4197	2.9604	361.327334920813
Cond-002757	NPD2848	NPD2848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2594889606	COCCCNC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C20H23NO5/c1-12-11-25-17-10-18-16(9-15(12)17)13(2)14(20(23)26-18)5-6-19(22)21-7-4-8-24-3/h9-11H,4-8H2,1-3H3,(H,21,22)	C20H23NO5	357.4	6	1	77.77	3	8	0	0.261199999999999	3.63819	3	1.817	63.3013	101.0617	2.6931	332.099457921107
Cond-002758	NPD2849	NPD2849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4086403314	Cc1c2oc(=O)c(CC(=O)NCCC(=O)O)c(C)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C24H20ClNO6/c1-12-16-9-18-19(14-3-5-15(25)6-4-14)11-31-22(18)13(2)23(16)32-24(30)17(12)10-20(27)26-8-7-21(28)29/h3-6,9,11H,7-8,10H2,1-2H3,(H,26,27)(H,28,29)	C24H20ClNO6	453.872	7	2	105.84	4	7	0	1.0663	5.2378	3.22	3.08	60.8804	124.5965	3.1572	391.482397391569
Cond-002759	NPD285	NPD285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6794983236	CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	InChI=1S/C19H24O7/c1-18(2)23-13-12(10-21-16(20)11-8-6-5-7-9-11)22-17-15(14(13)24-18)25-19(3,4)26-17/h5-9,12-15,17H,10H2,1-4H3/t12-,13+,14+,15-,17-/m1/s1	C19H24O7	364.39	7	0	72.45	4	4	0	-0.6742	2.20829	2.78	3.757	64.0645	92.269	2.5902	327.840083889796
Cond-002760	NPD2850	NPD2850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6666085527	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](C(C)O)C(=O)O)c1ccc(C)cc1	InChI=1S/C31H28N4O6/c1-16-11-13-18(14-12-16)27-26-21(19-7-3-5-9-22(19)32-26)15-24-29(38)35(31(41)34(24)27)23-10-6-4-8-20(23)28(37)33-25(17(2)36)30(39)40/h3-14,17,24-25,27,32,36H,15H2,1-2H3,(H,33,37)(H,39,40)/t17?,24-,25-,27?/m0/s1	C31H28N4O6	552.577	10	4	143.04	6	7	1	-2.1658	3.04200000000001	3.77	5.294	65.1171	152.4608	3.97430000000001	486.811209122703
Cond-002761	NPD2851	NPD2851	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.6378344742	CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C29H31NO6/c1-6-15(2)25(28(32)33)30-23(31)13-12-20-16(3)21-14-22-24(19-10-8-7-9-11-19)18(5)35-27(22)17(4)26(21)36-29(20)34/h7-11,14-15,25H,6,12-13H2,1-5H3,(H,30,31)(H,32,33)/t15-,25+/m1/s1	C29H31NO6	489.56	7	2	105.84	4	9	1	0.5171	5.82521000000001	3.88	6.297	77.2697	142.9695	3.7393	462.751252750469
Cond-002762	NPD2852	NPD2852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.449080588	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC	InChI=1S/C32H32N4O4/c1-40-17-9-16-33-30(37)26(18-20-10-3-2-4-11-20)35-31(38)27-19-24-21-12-7-8-15-25(21)34-28(24)29-22-13-5-6-14-23(22)32(39)36(27)29/h2-8,10-15,26-27,29,34H,9,16-19H2,1H3,(H,33,37)(H,35,38)/t26-,27-,29?/m0/s1	C32H32N4O4	536.621	8	3	103.53	6	11	2	-2.8812	3.10659000000001	4.1	6.46	65.0506	154.8804	4.04080000000001	489.163199048247
Cond-002763	NPD2853	NPD2853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1757483111	C[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(Cl)cc3)cc2oc1=O)C(=O)O	InChI=1S/C23H18ClNO6/c1-11-15-7-17-18(13-3-5-14(24)6-4-13)10-30-19(17)9-20(15)31-23(29)16(11)8-21(26)25-12(2)22(27)28/h3-7,9-10,12H,8H2,1-2H3,(H,25,26)(H,27,28)/t12-/m0/s1	C23H18ClNO6	439.845	7	2	105.84	4	6	0	0.272099999999999	5.02547	3.11	3.336	55.3384	119.8725	3.0163	374.186412765702
Cond-002764	NPD2855	NPD2855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2752359842	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NC1CCCC1)c1ccccc1	InChI=1S/C31H28N4O3/c36-29(32-20-12-4-5-13-20)22-15-7-9-17-25(22)35-30(37)26-18-23-21-14-6-8-16-24(21)33-27(23)28(34(26)31(35)38)19-10-2-1-3-11-19/h1-3,6-11,14-17,20,26,28,33H,4-5,12-13,18H2,(H,32,36)/t26-,28?/m0/s1	C31H28N4O3	504.579	7	2	85.51	7	5	1	-3.1539	4.85708000000001	4.1	6.994	52.256	147.7507	3.73260000000001	450.720529021019
Cond-002765	NPD2856	NPD2856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.1188118812	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NC(=O)CN3C(=O)c4c(cccc4)C3=O)c(=O)cc12)NC(=O)C	InChI=1S/C31H29N3O8/c1-16(35)32-22-11-9-17-13-25(40-2)28(41-3)29(42-4)27(17)18-10-12-23(24(36)14-21(18)22)33-26(37)15-34-30(38)19-7-5-6-8-20(19)31(34)39/h5-8,10,12-14,22H,9,11,15H2,1-4H3,(H,32,35)(H,33,36,37)/t22-/m0/s1	C31H29N3O8	571.577	11	2	140.34	5	9	0	-2.4563	2.25566	3.66	2.087	103.4889	152.7664	4.1005	527.551361016458
Cond-002766	NPD2857	NPD2857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9943995022	COc1ccc(CCN2COc3ccc4c(cc(=O)oc4c3C2)c2ccc(OC)cc2)cc1	InChI=1S/C27H25NO5/c1-30-20-7-3-18(4-8-20)13-14-28-16-24-25(32-17-28)12-11-22-23(15-26(29)33-27(22)24)19-5-9-21(31-2)10-6-19/h3-12,15H,13-14,16-17H2,1-2H3	C27H25NO5	443.491	6	0	57.23	5	6	1	0.1142	5.21707	3.77	5.44	52.5739	130.566	3.2902	407.012598097375
Cond-002767	NPD2858	NPD2858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5684515697	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C27H27NO6/c1-5-14(2)23(26(30)31)28-22(29)12-19-15(3)18-11-20-21(17-9-7-6-8-10-17)13-33-24(20)16(4)25(18)34-27(19)32/h6-11,13-14,23H,5,12H2,1-4H3,(H,28,29)(H,30,31)/t14-,23+/m1/s1	C27H27NO6	461.506	7	2	105.84	4	8	1	0.0151999999999985	5.42629000000001	3.66	5.631	66.6718	132.2835	3.4575	428.159283498736
Cond-002768	NPD2859	NPD2859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.198429021	Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](CCCNC(=O)N)C(=O)O)c(=O)oc1c2C	InChI=1S/C22H25N3O7/c1-10-9-31-18-12(3)19-14(7-13(10)18)11(2)15(21(29)32-19)8-17(26)25-16(20(27)28)5-4-6-24-22(23)30/h7,9,16H,4-6,8H2,1-3H3,(H,25,26)(H,27,28)(H3,23,24,30)/t16-/m1/s1	C22H25N3O7	443.45	10	5	160.96	3	10	0	-0.431600000000001	2.14131	2.78	0.415	75.3063	116.9686	3.2059	400.992483588697
Cond-002769	NPD286	NPD286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1200995644	CC(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(ccc(=O)o2)cc1	InChI=1S/C20H17NO6/c1-13(21-20(24)25-12-14-5-3-2-4-6-14)19(23)26-16-9-7-15-8-10-18(22)27-17(15)11-16/h2-11,13H,12H2,1H3,(H,21,24)	C20H17NO6	367.352	7	1	90.93	3	8	1	0.000699999999999923	3.05157	2.89	5.049	45.5534	99.4567	2.6228	332.980308519268
Cond-002770	NPD2860	NPD2860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3323184207	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3c(C)cc(C)cc3C)cc12	InChI=1S/C28H27NO4/c1-16-10-17(2)26(18(3)11-16)29-14-21-12-24-23(20-6-8-22(31-5)9-7-20)13-25(30)33-28(24)19(4)27(21)32-15-29/h6-13H,14-15H2,1-5H3	C28H27NO4	441.518	5	0	48	5	3	1	2.4668	5.86425000000001	3.99	6.453	58.1025	131.333	3.3724	415.51835602268
Cond-002771	NPD2861	NPD2861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.628558752	CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(occ3C(C)(C)C)cc2oc1=O)C(=O)O	InChI=1S/C24H29NO6S/c1-13-14(6-7-21(26)25-18(22(27)28)8-9-32-5)23(29)31-20-11-19-16(10-15(13)20)17(12-30-19)24(2,3)4/h10-12,18H,6-9H2,1-5H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H29NO6S	459.555	7	2	131.14	3	10	0	1.5116	5.07747000000001	3.22	4.211	88.9303	129.1845	3.4359	425.946188481936
Cond-002772	NPD2862	NPD2862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.472587312	Cc1c2oc(=O)c(CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C26H31N3O7/c1-13-15(9-10-21(30)29-19(24(31)32)7-5-11-28-26(27)34)25(33)36-22-14(2)23-18(12-17(13)22)16-6-3-4-8-20(16)35-23/h12,19H,3-11H2,1-2H3,(H,29,30)(H,31,32)(H3,27,28,34)/t19-/m0/s1	C26H31N3O7	497.54	10	5	160.96	4	11	1	-1.2692	3.30828	3.22	1.668	89.81	136.7506	3.6609	457.819963391364
Cond-002773	NPD2863	NPD2863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.3306780602	NC(=O)NCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C25H26N6O6/c26-24(36)27-11-5-10-19(23(34)35)29-21(32)20(12-14-13-28-17-8-3-1-6-15(14)17)31-22(33)16-7-2-4-9-18(16)30-25(31)37/h1-4,6-9,13,19-20,28H,5,10-12H2,(H,29,32)(H,30,37)(H,34,35)(H3,26,27,36)/t19-,20+/m0/s1	C25H26N6O6	506.511	12	7	186.72	4	12	3	-3.4901	1.90617	2.89	1.607	64.8339	138.3778	3.6317	445.914656587036
Cond-002774	NPD2864	NPD2864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7368880695	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1c(Cl)cccc1)c1ccc(C)cc1	InChI=1S/C34H27ClN4O3/c1-20-14-16-21(17-15-20)31-30-25(23-9-3-6-12-27(23)37-30)18-29-33(41)39(34(42)38(29)31)28-13-7-4-10-24(28)32(40)36-19-22-8-2-5-11-26(22)35/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O3	575.056	7	2	85.51	7	6	1	-0.5536	5.45660000000001	4.32	8.64	53.0416	163.5347	4.14870000000001	499.010174566653
Cond-002775	NPD2865	NPD2865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.337451122	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCCOC(C)C)c1cc(OC)ccc1	InChI=1S/C33H34N4O5/c1-20(2)42-17-7-16-34-31(38)21-12-14-23(15-13-21)36-32(39)28-19-26-25-10-4-5-11-27(25)35-29(26)30(37(28)33(36)40)22-8-6-9-24(18-22)41-3/h4-6,8-15,18,20,28,30,35H,7,16-17,19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1	C33H34N4O5	566.647	9	2	103.97	6	10	1	-2.37	4.73818000000001	4.1	5.498	73.6779	162.6187	4.24040000000001	515.249410374675
Cond-002776	NPD2866	NPD2866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3840845799	C[C@@]12CN3C[C@@](CN(C1)C3c1ccc(OCC=C)cc1)(C2=O)c1ccccc1	InChI=1S/C24H26N2O2/c1-3-13-28-20-11-9-18(10-12-20)21-25-14-23(2)15-26(21)17-24(16-25,22(23)27)19-7-5-4-6-8-19/h3-12,21H,1,13-17H2,2H3/t21?,23-,24+	C24H26N2O2	374.475	4	0	32.78	2	5	0	0.408600000000001	3.22718	3.66	4.59	60.3899	111.45	2.9202	358.560100428658
Cond-002777	NPD2867	NPD2867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1526277718	Fc1c(Cl)cc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C23H15ClFNO4/c24-19-10-15(6-9-20(19)25)26-22(27)13-29-16-7-8-17-18(14-4-2-1-3-5-14)12-23(28)30-21(17)11-16/h1-12H,13H2,(H,26,27)	C23H15ClFNO4	423.821	5	1	64.63	4	6	1	0.3077	5.99936	3.22	6.84	35.4258	115.6177	2.8736	360.037059514086
Cond-002778	NPD2868	NPD2868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.9386003201	COc1cccc(COc2ccc3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)/Oc3c2)c1	InChI=1S/C26H24O7/c1-28-18-7-5-6-16(10-18)15-32-19-8-9-20-21(14-19)33-22(25(20)27)11-17-12-23(29-2)26(31-4)24(13-17)30-3/h5-14H,15H2,1-4H3/b22-11-	C26H24O7	448.465	7	0	72.45	4	8	0	-0.746600000000002	4.86317	3.55	4.844	52.2059	126.066	3.2755	408.656765365263
Cond-002779	NPD2869	NPD2869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5862826458	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)NCc1ccncc1	InChI=1S/C23H18N2O4/c26-22(25-14-16-8-10-24-11-9-16)15-28-18-6-7-19-20(17-4-2-1-3-5-17)13-23(27)29-21(19)12-18/h1-13H,14-15H2,(H,25,26)	C23H18N2O4	386.4	6	1	77.52	4	7	1	-0.9047	3.33997	3.33	5.332	33.6499	110.6627	2.8333	349.755193101513
Cond-002780	NPD287	NPD287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4502257179	CCOc1ccc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(CC=C)C2=O)cc1	InChI=1S/C28H32N4O5/c1-3-12-31-26(35)28(25(34)29-27(31)36,14-19-8-10-22(11-9-19)37-4-2)18-30-15-20-13-21(17-30)23-6-5-7-24(33)32(23)16-20/h3,5-11,20-21H,1,4,12-18H2,2H3,(H,29,34,36)/t20-,21-,28?/m1/s1	C28H32N4O5	504.577	9	1	99.26	5	8	0	-0.613499999999998	2.12506	3.55	1.807	113.0652	138.6027	3.7735	481.735322048542
Cond-002781	NPD2870	NPD2870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.2864822212	Cc1c2oc(=O)c(CC(=O)N3CCC(CC3)C(=O)O)c(C)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C27H24ClNO6/c1-14-19-11-21-22(16-3-5-18(28)6-4-16)13-34-24(21)15(2)25(19)35-27(33)20(14)12-23(30)29-9-7-17(8-10-29)26(31)32/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,31,32)	C27H24ClNO6	493.936	7	1	97.05	5	5	0	0.3224	5.78739000000001	3.55	3.598	70.4882	135.2118	3.4713	431.013892568369
Cond-002782	NPD2871	NPD2871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1916036124	Cc1coc2c1cc1c(C)c(CC(=O)NCc3ccco3)c(=O)oc1c2C	InChI=1S/C21H19NO5/c1-11-10-26-19-13(3)20-16(7-15(11)19)12(2)17(21(24)27-20)8-18(23)22-9-14-5-4-6-25-14/h4-7,10H,8-9H2,1-3H3,(H,22,23)	C21H19NO5	365.379	6	1	81.68	4	5	0	1.0149	3.67411	3.11	2.474	50.6175	102.8097	2.6394	320.866066444574
Cond-002783	NPD2872	NPD2872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9238052966	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C28H28N2O7/c1-14(2)24(27(33)34)30-23(32)12-29-22(31)11-19-15(3)18-10-20-21(17-8-6-5-7-9-17)13-36-25(20)16(4)26(18)37-28(19)35/h5-10,13-14,24H,11-12H2,1-4H3,(H,29,31)(H,30,32)(H,33,34)/t24-/m0/s1	C28H28N2O7	504.531	9	3	134.94	4	10	0	-0.145200000000001	4.15239000000001	3.55	4.234	75.5975	140.6762	3.7139	462.60579633253
Cond-002784	NPD2873	NPD2873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7145427212	CCn1cc(C2N3C[C@]4(CN2C[C@](C3)(C(C)C)C4=O)C(C)C)c2c1cccc2	InChI=1S/C24H33N3O/c1-6-25-11-19(18-9-7-8-10-20(18)25)21-26-12-23(16(2)3)13-27(21)15-24(14-26,17(4)5)22(23)28/h7-11,16-17,21H,6,12-15H2,1-5H3/t21?,23-,24+	C24H33N3O	379.538	4	0	28.48	2	4	0	0.7133	4.45648000000001	3.66	3.982	79.8334	116.554	3.0903	368.676010038664
Cond-002785	NPD2874	NPD2874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.941216812	COc1cc(OC)c(Cl)cc1N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C24H24ClNO5/c1-13-22-14(8-17-15-6-4-5-7-16(15)24(27)31-23(13)17)11-26(12-30-22)19-9-18(25)20(28-2)10-21(19)29-3/h8-10H,4-7,11-12H2,1-3H3	C24H24ClNO5	441.904	6	0	57.23	5	3	0	0.693199999999999	6.28338	3.33	4.003	68.9366	123.576	3.1189	389.145088092608
Cond-002786	NPD2875	NPD2875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7853610287	COc1cc(OC)c(cc1)c1cc2ccc([O-])c(C[NH+](C)Cc3ccccc3)c2oc1=O	InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-22-23(28)12-9-18-13-21(26(29)32-25(18)22)20-11-10-19(30-2)14-24(20)31-3/h4-14,28H,15-16H2,1-3H3	C26H25NO5	431.48	6	1	72.26	4	7	1	-2.035	3.54097	3.66	5.229	45.1429	125.1237	3.2579	402.073072172308
Cond-002787	NPD2876	NPD2876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.2741259431	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C27H29ClN4O6/c1-13-10-15-23(16(28)11-13)30-26(36)27(15)22-21(17(31-27)5-7-20(29)33)24(34)32(25(22)35)9-8-14-4-6-18(37-2)19(12-14)38-3/h4,6,10-12,17,21-22,31H,5,7-9H2,1-3H3,(H2,29,33)(H,30,36)/t17?,21-,22+,27?/m1/s1	C27H29ClN4O6	540.995	10	4	140.06	5	8	0	-1.7763	2.16141	3.22	0.889	85.8842	140.6758	3.8137	477.540631893669
Cond-002788	NPD2877	NPD2877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.4006082989	CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C24H24N4O5S/c1-34-11-10-19(23(31)32)26-21(29)20(12-14-13-25-17-8-4-2-6-15(14)17)28-22(30)16-7-3-5-9-18(16)27-24(28)33/h2-9,13,19-20,25H,10-12H2,1H3,(H,26,29)(H,27,33)(H,31,32)/t19-,20-/m1/s1	C24H24N4O5S	480.536	9	4	156.9	4	10	0	-1.8815	3.84667	3	3.663	65.4699	134.9457	3.439	418.980407602674
Cond-002789	NPD2878	NPD2878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.3215314944	COc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccc(Cl)c1	InChI=1S/C26H20ClN3O2/c1-32-19-9-5-7-17(13-19)24-25-21(20-10-2-3-11-22(20)29-25)14-23(30-24)26(31)28-15-16-6-4-8-18(27)12-16/h2-14,29H,15H2,1H3,(H,28,31)	C26H20ClN3O2	441.909	5	2	67.01	5	6	1	-0.3511	5.98087	3.66	6.162	28.3851	133.8737	3.20920000000001	373.477604154991
Cond-002790	NPD2879	NPD2879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.2939951069	[C@H]12C=Cc3c(ccc(C)c3)N1[C@H](C(=O)c1ccccc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C38H34N2O3/c1-23(2)21-25-14-16-27(17-15-25)35(41)33-34(36(42)26-9-5-4-6-10-26)40-31-19-13-24(3)22-28(31)18-20-32(40)38(33)29-11-7-8-12-30(29)39-37(38)43/h4-20,22-23,32-34H,21H2,1-3H3,(H,39,43)/t32-,33+,34+,38-/m1/s1	C38H34N2O3	566.688	5	1	66.48	7	6	1	0.1327	7.42049000000001	5.09	10.953	68.8374	171.9217	4.39030000000001	541.889524883352
Cond-002791	NPD288	NPD288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4582149505	CCCc1cc2c(oc(C)c(c3ccc(o3)C(=O)OCC)c2=O)cc1OC(=O)C	InChI=1S/C22H22O7/c1-5-7-14-10-15-19(11-18(14)28-13(4)23)27-12(3)20(21(15)24)16-8-9-17(29-16)22(25)26-6-2/h8-11H,5-7H2,1-4H3	C22H22O7	398.406	7	0	92.04	3	8	0	-0.301000000000001	4.55296000000001	3.11	4.643	64.4169	110.1465	2.9065	368.002202964196
Cond-002792	NPD2880	NPD2880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.4403840502	CCc1cccc(c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C25H21NO3/c1-2-17-7-6-10-19(13-17)26-15-22-23(28-16-26)12-11-20-21(14-24(27)29-25(20)22)18-8-4-3-5-9-18/h3-14H,2,15-16H2,1H3	C25H21NO3	383.439	4	0	38.77	5	3	1	0.2575	6.25126	3.77	8.185	39.1288	119.333	2.891	354.840175444519
Cond-002793	NPD2882	NPD2882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	103.514851485	COc1ccc(cc1)c1cc(=O)oc2c3CN(COc3ccc12)c1cc(ccc1)C(F)(F)F	InChI=1S/C25H18F3NO4/c1-31-18-7-5-15(6-8-18)20-12-23(30)33-24-19(20)9-10-22-21(24)13-29(14-32-22)17-4-2-3-16(11-17)25(26,27)28/h2-12H,13-14H2,1H3	C25H18F3NO4	453.41	5	0	48	5	4	1	0.9969	6.37516	3.33	6.697	42.5287	120.731	3.0028	381.833078695999
Cond-002794	NPD2883	NPD2883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8729709092	COc1ccc(cc1)c1cc(=O)oc2c3CN(Cc4c(Cl)cccc4)COc3ccc12	InChI=1S/C25H20ClNO4/c1-29-18-8-6-16(7-9-18)20-12-24(28)31-25-19(20)10-11-23-21(25)14-27(15-30-23)13-17-4-2-3-5-22(17)26/h2-12H,13-15H2,1H3	C25H20ClNO4	433.884	5	0	48	5	4	1	0.6547	5.47987	3.55	5.833	46.4219	123.401	3.0721	378.841469915513
Cond-002795	NPD2884	NPD2884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8936377003	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(Cl)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccco1	InChI=1S/C26H20ClN3O4/c27-16-8-3-7-15-21(16)29-24(33)26(15)25(14-6-1-2-9-17(14)28-23(25)32)20(18-10-4-12-30(18)26)22(31)19-11-5-13-34-19/h1-3,5-9,11,13,18,20H,4,10,12H2,(H,28,32)(H,29,33)/t18-,20-,25+,26+/m0/s1	C26H20ClN3O4	473.908	7	2	91.65	7	2	0	-2.3442	5.09528	3.44	2.663	52.8401	127.9829	3.1954	393.418057556113
Cond-002796	NPD2885	NPD2885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.5654781079	Cc1c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H25N3O7/c1-14-16-10-18-19(15-6-3-2-4-7-15)13-35-21(18)12-22(16)36-25(33)17(14)11-23(30)29-20(24(31)32)8-5-9-28-26(27)34/h2-4,6-7,10,12-13,20H,5,8-9,11H2,1H3,(H,29,30)(H,31,32)(H3,27,28,34)/t20-/m0/s1	C26H25N3O7	491.493	10	5	160.96	4	11	1	-1.7156	3.80067	3.22	3.21	64.3021	136.0086	3.5319	439.010587288963
Cond-002797	NPD2886	NPD2886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.830860534	CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(OCO4)cc3C1=CC2c1ccccc1	InChI=1S/C26H25NO3/c1-26(2)13-21-25(22(28)14-26)19(16-6-4-3-5-7-16)11-20-18-12-24-23(29-15-30-24)10-17(18)8-9-27(20)21/h3-7,10-12,19H,8-9,13-15H2,1-2H3	C26H25NO3	399.482	4	0	40.46	6	1	1	0.828999999999998	5.27602000000001	3.88	6.815	69.6054	118.083	3.0093	365.052618771186
Cond-002798	NPD2888	NPD2888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.646742379	CC(C)c1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCO	InChI=1S/C24H25N3O2/c1-15(2)16-8-10-17(11-9-16)22-23-19(18-6-3-4-7-20(18)26-23)14-21(27-22)24(29)25-12-5-13-28/h3-4,6-11,14-15,26,28H,5,12-13H2,1-2H3,(H,25,29)	C24H25N3O2	387.474	5	3	78.01	4	7	1	-1.2074	4.96397000000001	3.55	5.917	39.9099	123.5805	3.04260000000001	354.840401936024
Cond-002799	NPD2889	NPD2889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.30518105	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C30H26N4O3/c35-27-25-24(16-19-17-31-22-12-6-4-10-20(19)22)33-30(21-11-5-7-13-23(21)32-29(30)37)26(25)28(36)34(27)15-14-18-8-2-1-3-9-18/h1-13,17,24-26,31,33H,14-16H2,(H,32,37)/t24?,25-,26+,30?/m1/s1	C30H26N4O3	490.552	7	3	94.3	7	5	1	-2.529	3.84458	3.99	5.741	53.398	143.9694	3.59170000000001	433.424544395153
Cond-002800	NPD289	NPD289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.926547744	[C@@H](NC(=O)COc1cc2c(cc1)c(C)cc(=O)o2)(C(C)CC)C(=O)OC	InChI=1S/C19H23NO6/c1-5-11(2)18(19(23)24-4)20-16(21)10-25-13-6-7-14-12(3)8-17(22)26-15(14)9-13/h6-9,11,18H,5,10H2,1-4H3,(H,20,21)/t11?,18-/m1/s1	C19H23NO6	361.389	7	1	90.93	2	9	0	-0.523499999999998	2.64357	2.78	2.738	67.0966	98.8667	2.7195	346.850158696602
Cond-002801	NPD2890	NPD2890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6025728487	COc1ccc2c(C)c(CCC(=O)N[C@@H](CSC)C(=O)O)c(=O)oc2c1C	InChI=1S/C19H23NO6S/c1-10-12-5-7-15(25-3)11(2)17(12)26-19(24)13(10)6-8-16(21)20-14(9-27-4)18(22)23/h5,7,14H,6,8-9H2,1-4H3,(H,20,21)(H,22,23)/t14-/m0/s1	C19H23NO6S	393.454	7	2	127.23	2	9	0	0.987700000000001	3.23579	2.67	2.087	78.0907	108.6145	2.883	365.359182754202
Cond-002802	NPD2892	NPD2892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1195733069	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(C)C)C(=O)O)c3)C2=O)ccc1	InChI=1S/C23H23NO7/c1-13(2)21(23(27)28)24-20(25)12-30-16-7-8-17-18(11-16)31-19(22(17)26)10-14-5-4-6-15(9-14)29-3/h4-11,13,21H,12H2,1-3H3,(H,24,25)(H,27,28)/b19-10-/t21-/m0/s1	C23H23NO7	425.431	8	2	111.16	3	9	0	-1.2634	3.96836	3.11	3.847	62.3597	118.574	3.1042	393.65848909743
Cond-002803	NPD2893	NPD2893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.5506086619	COc1cc(/C=C/2\Oc3c(C)c(OC(=O)c4ccc5OCOc5c4)ccc3C2=O)cc(OC)c1OC	InChI=1S/C27H22O9/c1-14-18(36-27(29)16-5-7-19-20(12-16)34-13-33-19)8-6-17-24(28)21(35-25(14)17)9-15-10-22(30-2)26(32-4)23(11-15)31-3/h5-12H,13H2,1-4H3/b21-9-	C27H22O9	490.458	9	0	98.75	5	7	0	-0.304099999999998	5.64728	3.44	4.498	57.8247	135.0475	3.3822	428.540285990652
Cond-002804	NPD2894	NPD2894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2806947989	CCCCC(NC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O)C(=O)O	InChI=1S/C26H31NO6/c1-4-5-9-20(25(29)30)27-22(28)12-11-16-14(2)18-13-19-17-8-6-7-10-21(17)32-24(19)15(3)23(18)33-26(16)31/h13,20H,4-12H2,1-3H3,(H,27,28)(H,29,30)	C26H31NO6	453.527	7	2	105.84	4	9	0	-0.8898	5.04998000000001	3.55	4.249	83.9655	129.4555	3.4456	429.672674975269
Cond-002805	NPD2895	NPD2895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	100.968842619	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCC(C)C)c1ccc(C)cc1	InChI=1S/C32H32N4O3/c1-19(2)16-17-33-30(37)22-12-14-23(15-13-22)35-31(38)27-18-25-24-6-4-5-7-26(24)34-28(25)29(36(27)32(35)39)21-10-8-20(3)9-11-21/h4-15,19,27,29,34H,16-18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1	C32H32N4O3	520.621	7	2	85.51	6	7	1	-1.013	4.98860000000001	4.21	7.705	64.6054	153.4567	3.9821	480.372972347686
Cond-002806	NPD2896	NPD2896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6253356114	COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1	InChI=1S/C26H27NO5/c1-15-14-31-24-17(3)25-22(13-21(15)24)16(2)20(26(29)32-25)9-10-23(28)27-12-11-18-5-7-19(30-4)8-6-18/h5-8,13-14H,9-12H2,1-4H3,(H,27,28)	C26H27NO5	433.496	6	1	77.77	4	8	0	1.4352	4.88101000000001	3.66	3.95	65.6314	124.9067	3.3009	404.709530873108
Cond-002807	NPD2897	NPD2897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.0533582963	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CCCOC)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H37N3O5/c1-5-15-38-24-13-12-20(17-25(24)37-6-2)22-18-33-26(34)19-32(14-9-16-36-4)29(35)30(33,3)28-27(22)21-10-7-8-11-23(21)31-28/h7-8,10-13,17,22,31H,5-6,9,14-16,18-19H2,1-4H3/t22?,30-/m0/s1	C30H37N3O5	519.632	8	1	84.1	5	10	0	-2.2571	4.27749000000001	3.88	3.625	85.4686	148.954	3.9985	486.166989792909
Cond-002808	NPD2899	NPD2899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7948003714	[C@H](C)(O)[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1	C18H34N2O6S	406.537	8	5	147.79	2	8	0	-2.1177	-0.623110000000001	2.45	0.69	99.4192	106.4839	3.0999	385.778710541302
Cond-002809	NPD29	NPD29	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7326732673	CCCCc1cc2c(occ(c3csc(C)n3)c2=O)cc1OC(C)C(=O)OCC	InChI=1S/C22H25NO5S/c1-5-7-8-15-9-16-20(10-19(15)28-13(3)22(25)26-6-2)27-11-17(21(16)24)18-12-29-14(4)23-18/h9-13H,5-8H2,1-4H3	C22H25NO5S	415.503	6	0	102.96	3	9	1	-0.4854	5.97298000000001	3.11	5.24	72.7076	118.0765	3.0954	382.563992529641
Cond-002810	NPD290	NPD290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6764388666	COC(=O)c1ccccc1OC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12	InChI=1S/C20H24O9/c1-19(2)26-12-13(27-19)15-18(29-20(3,4)28-15)25-14(12)17(22)24-11-9-7-6-8-10(11)16(21)23-5/h6-9,12-15,18H,1-5H3/t12-,13+,14+,15-,18-/m1/s1	C20H24O9	408.399	9	0	98.75	4	5	0	-0.7813	1.74349	2.67	3.404	71.2656	98.961	2.8055	360.080063215985
Cond-002811	NPD2900	NPD2900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7612918324	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)ON5C(=O)CCC5=O)C(=O)[C@]34C)c2c1	InChI=1S/C22H22N4O7/c1-11(19(29)33-26-16(27)6-7-17(26)28)25-20(30)22(2)18-13(8-9-24(22)21(25)31)14-10-12(32-3)4-5-15(14)23-18/h4-5,10-11,23H,6-9H2,1-3H3/t11-,22-/m0/s1	C22H22N4O7	454.433	11	1	129.32	5	5	0	-1.6872	0.611580000000001	2.67	-0.386	79.694	116.483	3.0885	387.276326395263
Cond-002812	NPD2901	NPD2901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3904897021	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCc1ccc(F)cc1	InChI=1S/C26H20FN3O2/c27-16-11-9-15(10-12-16)14-28-25(31)22-13-20-17-5-3-4-8-21(17)29-23(20)24-18-6-1-2-7-19(18)26(32)30(22)24/h1-12,22,24,29H,13-14H2,(H,28,31)/t22-,24?/m0/s1	C26H20FN3O2	425.454	5	2	65.2	6	4	1	-1.3438	3.55318	3.66	5.563	35.3538	120.7472	3.03890000000001	365.514095234864
Cond-002813	NPD2902	NPD2902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.82576229	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(CN(Cc4c(F)cccc4)CO3)cc12	InChI=1S/C27H24FNO3/c1-17-22-13-21-15-29(14-20-10-6-7-11-24(20)28)16-31-25(21)18(2)26(22)32-27(30)23(17)12-19-8-4-3-5-9-19/h3-11,13H,12,14-16H2,1-2H3	C27H24FNO3	429.483	4	0	38.77	5	4	1	2.0932	5.56949000000001	3.88	7.691	48.8232	124.656	3.1905	395.499703546559
Cond-002814	NPD2903	NPD2903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4259214059	Cc1c2oc(=O)c(CCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C31H30N2O7/c1-15-19(31(38)40-28-16(2)29-23(13-21(15)28)20-5-3-4-6-26(20)39-29)8-10-27(35)33-25(30(36)37)11-17-14-32-24-9-7-18(34)12-22(17)24/h7,9,12-14,25,32,34H,3-6,8,10-11H2,1-2H3,(H,33,35)(H,36,37)	C31H30N2O7	542.579	9	4	141.86	6	8	0	-0.895399999999998	5.21267000000001	3.88	3.443	80.062	155.0713	3.9194	478.88083280853
Cond-002815	NPD2904	NPD2904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.9959362688	Cc1c2oc(=O)cc(CC(=O)NC(C(=O)O)c3ccccc3)c2ccc1O	InChI=1S/C20H17NO6/c1-11-15(22)8-7-14-13(10-17(24)27-19(11)14)9-16(23)21-18(20(25)26)12-5-3-2-4-6-12/h2-8,10,18,22H,9H2,1H3,(H,21,23)(H,25,26)	C20H17NO6	367.352	7	3	112.93	3	6	0	-0.7408	2.69099	2.89	2.879	45.9146	101.0865	2.6228	332.980308519268
Cond-002816	NPD2905	NPD2905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.936294929	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)N3CCC(CC3)C(=O)N)c(C)c1c2)c1ccccc1	InChI=1S/C28H28N2O5/c1-15-20-13-22-24(18-7-5-4-6-8-18)17(3)34-26(22)16(2)25(20)35-28(33)21(15)14-23(31)30-11-9-19(10-12-30)27(29)32/h4-8,13,19H,9-12,14H2,1-3H3,(H2,29,32)	C28H28N2O5	472.532	7	2	102.84	5	5	0	-0.377400000000001	4.54351000000001	3.77	4.326	70.8273	137.8294	3.5309	435.305342931408
Cond-002817	NPD2906	NPD2906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.9207920792	Cc1c(Cl)cc(cc1)N1COc2c(C1)cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C21H20ClNO3/c1-11-5-6-16(8-18(11)22)23-9-15-7-17-12(2)13(3)21(24)26-20(17)14(4)19(15)25-10-23/h5-8H,9-10H2,1-4H3	C21H20ClNO3	369.841	4	0	38.77	4	1	0	3.174	5.76	3.22	4.415	55.2573	106.992	2.6874	332.033139514685
Cond-002818	NPD2907	NPD2907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.370334275	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3c3ccc(C)cc3)cc2oc1=O)C(=O)O	InChI=1S/C28H28N2O7/c1-14(2)26(27(33)34)30-25(32)12-29-24(31)10-19-16(4)18-9-20-21(17-7-5-15(3)6-8-17)13-36-22(20)11-23(18)37-28(19)35/h5-9,11,13-14,26H,10,12H2,1-4H3,(H,29,31)(H,30,32)(H,33,34)/t26-/m0/s1	C28H28N2O7	504.531	9	3	134.94	4	10	0	-0.145200000000001	4.15239000000001	3.55	4.445	75.5975	140.6762	3.7139	462.60579633253
Cond-002819	NPD2908	NPD2908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.7766673908	CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C28H31N5O7/c1-14(2)22(25(36)32-23(15(3)34)27(38)39)31-24(35)21(12-16-13-29-19-10-6-4-8-17(16)19)33-26(37)18-9-5-7-11-20(18)30-28(33)40/h4-11,13-15,21-23,29,34H,12H2,1-3H3,(H,30,40)(H,31,35)(H,32,36)(H,38,39)/t15?,21-,22-,23-/m0/s1	C28H31N5O7	549.575	12	6	184.42	4	12	3	-2.4232	1.92637	3.22	2.96	82.2841	151.6733	4.01330000000001	495.596076957031
Cond-002820	NPD291	NPD291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.50840813	CC(=C)Cn1c(=O)c2cc3c(CC(C)(C)OC3)nc2nc1SCC(=O)N	InChI=1S/C18H22N4O3S/c1-10(2)7-22-16(24)12-5-11-8-25-18(3,4)6-13(11)20-15(12)21-17(22)26-9-14(19)23/h5H,1,6-9H2,2-4H3,(H2,19,23)	C18H22N4O3S	374.457	7	2	123.18	3	5	0	1.3518	2.29426	2.56	0.498	77.5443	105.4799	2.7568	342.326339950352
Cond-002821	NPD2910	NPD2910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.9289490276	O=C(Oc1ccc2C(=O)/C(=C/C3=Cc4ccccc4OC3)/Oc2c1)N(c1ccccc1)c1ccccc1	InChI=1S/C31H21NO5/c33-30-26-16-15-25(36-31(34)32(23-10-3-1-4-11-23)24-12-5-2-6-13-24)19-28(26)37-29(30)18-21-17-22-9-7-8-14-27(22)35-20-21/h1-19H,20H2/b29-18-	C31H21NO5	487.502	6	0	65.07	6	6	1	-0.3512	7.82884	4.21	9.116	40.834	146.5125	3.53020000000001	439.757784396041
Cond-002822	NPD2911	NPD2911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.662070324	[C@H]1(C)[C@H](OC(=O)CCC(=O)NCC(C)(C)C(O)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C25H39NO10/c1-13-6-7-16-14(2)21(33-22-25(16)15(13)10-11-24(5,34-22)35-36-25)32-18(28)9-8-17(27)26-12-23(3,4)19(29)20(30)31/h13-16,19,21-22,29H,6-12H2,1-5H3,(H,26,27)(H,30,31)/t13-,14-,15+,16+,19?,21-,22-,24+,25?/m1/s1	C25H39NO10	513.578	11	3	149.85	3	10	1	0.121299999999999	2.33959	3	2.541	113.3139	125.8303	3.7545	482.519890655647
Cond-002823	NPD2912	NPD2912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.190793014	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)CC)C(=O)NCCc1ccccc1	InChI=1S/C33H34N4O3/c1-3-20(2)28(32(39)34-18-17-21-11-5-4-6-12-21)36-31(38)27-19-25-22-13-9-10-16-26(22)35-29(25)30-23-14-7-8-15-24(23)33(40)37(27)30/h4-16,20,27-28,30,35H,3,17-19H2,1-2H3,(H,34,39)(H,36,38)/t20?,27-,28-,30?/m0/s1	C33H34N4O3	534.648	7	3	94.3	6	10	1	-2.4631	4.11619000000001	4.32	7.939	67.043	157.8424	4.12300000000001	497.668956973553
Cond-002824	NPD2914	NPD2914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8066140005	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cc(Cl)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(C)cc1	InChI=1S/C30H26ClN3O3/c1-16-9-11-18(12-10-16)26(35)24-23-8-5-13-34(23)30(21-15-19(31)14-17(2)25(21)33-28(30)37)29(24)20-6-3-4-7-22(20)32-27(29)36/h3-4,6-7,9-12,14-15,23-24H,5,8,13H2,1-2H3,(H,32,36)(H,33,37)/t23-,24-,29+,30+/m0/s1	C30H26ClN3O3	511.999	6	2	78.51	7	2	1	-0.9061	5.55832	3.99	5.121	62.2252	142.9969	3.6573	451.175310658219
Cond-002825	NPD2915	NPD2915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4434225331	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCC(C)C	InChI=1S/C23H23N3O2/c1-13(2)12-24-22(27)19-11-17-14-7-5-6-10-18(14)25-20(17)21-15-8-3-4-9-16(15)23(28)26(19)21/h3-10,13,19,21,25H,11-12H2,1-2H3,(H,24,27)/t19-,21?/m0/s1	C23H23N3O2	373.448	5	2	65.2	5	4	0	-1.2506	2.99859	3.44	4.407	48.7491	111.1487	2.8361	338.724417310158
Cond-002826	NPD2916	NPD2916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1301067895	Cc1ccc(C)c(c1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C23H19NO3/c1-14-7-8-15(2)20(11-14)24-12-19-21(26-13-24)10-9-17-16-5-3-4-6-18(16)23(25)27-22(17)19/h3-11H,12-13H2,1-2H3	C23H19NO3	357.402	4	0	38.77	5	1	1	1.0691	5.61412	3.55	6.49	30.7591	110.464	2.6522	322.884664893585
Cond-002827	NPD2917	NPD2917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0298814539	CCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc4c(OCCO4)cc3)cc12	InChI=1S/C22H21NO5/c1-3-14-9-20(24)28-22-13(2)21-15(8-17(14)22)11-23(12-27-21)16-4-5-18-19(10-16)26-7-6-25-18/h4-5,8-10H,3,6-7,11-12H2,1-2H3	C22H21NO5	379.406	6	0	57.23	5	2	0	0.614500000000001	5.35057	3.22	3.392	57.2935	111.393	2.7147	339.342051070441
Cond-002828	NPD2918	NPD2918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0303513605	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCC(C)C	InChI=1S/C25H27N3O3/c1-15(2)11-12-26-25(29)21-14-18-17-7-5-6-8-20(17)27-23(18)24(28-21)19-13-16(30-3)9-10-22(19)31-4/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,29)	C25H27N3O3	417.5	6	2	76.24	4	8	1	-0.862299999999999	5.52147000000001	3.55	5.205	47.2647	130.3477	3.2422	380.926613262452
Cond-002829	NPD2919	NPD2919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6205573958	[C@@H]12Cc3c([nH]c4ccccc34)C(C)N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC=C	InChI=1S/C24H22N4O3/c1-3-12-25-22(29)16-9-5-7-11-19(16)28-23(30)20-13-17-15-8-4-6-10-18(15)26-21(17)14(2)27(20)24(28)31/h3-11,14,20,26H,1,12-13H2,2H3,(H,25,29)/t14?,20-/m0/s1	C24H22N4O3	414.456	7	2	85.51	5	5	0	-1.1811	3.01497	3.33	3.865	57.9698	121.3457	3.0495	370.534471443152
Cond-002830	NPD292	NPD292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2934076137	CCc1cc2c(oc(C)c(c2=O)c2c(C)cc3OCCOc3c2)cc1O	InChI=1S/C21H20O5/c1-4-13-8-15-17(10-16(13)22)26-12(3)20(21(15)23)14-9-19-18(7-11(14)2)24-5-6-25-19/h7-10,22H,4-6H2,1-3H3	C21H20O5	352.38	5	1	64.99	4	2	0	0.0506000000000003	4.47189	3.22	3.58	52.2036	102.815	2.5826	323.405764937207
Cond-002831	NPD2920	NPD2920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.0065911738	Cc1c(CC(=O)NC(C(=O)O)c2ccccc2)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C26H25NO6/c1-14-16-10-18-19(26(2,3)4)13-32-20(18)12-21(16)33-25(31)17(14)11-22(28)27-23(24(29)30)15-8-6-5-7-9-15/h5-10,12-13,23H,11H2,1-4H3,(H,27,28)(H,29,30)	C26H25NO6	447.48	7	2	105.84	4	7	1	1.0327	4.96587000000001	3.55	5.556	62.9509	126.1855	3.3166	410.863298872869
Cond-002832	NPD2921	NPD2921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1671659382	CCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc2c(cc1)n(CC)c1c2cccc1	InChI=1S/C28H26N2O3/c1-3-7-18-14-27(31)33-28-20(18)11-13-26-23(28)16-29(17-32-26)19-10-12-25-22(15-19)21-8-5-6-9-24(21)30(25)4-2/h5-6,8-15H,3-4,7,16-17H2,1-2H3	C28H26N2O3	438.518	5	0	43.7	6	4	1	0.1422	7.97365000000001	3.99	6.68	55.3425	139.036	3.3049	394.468430829486
Cond-002833	NPD2922	NPD2922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.3903918595	O=C1N2CC(c3cccs3)c3c([nH]c4ccccc34)C2c2c1cccc2	InChI=1S/C22H16N2OS/c25-22-14-7-2-1-6-13(14)21-20-19(15-8-3-4-9-17(15)23-20)16(12-24(21)22)18-10-5-11-26-18/h1-11,16,21,23H,12H2	C22H16N2OS	356.44	3	1	64.34	6	1	1	-0.8095	4.5467	3.44	5.526	29.4479	106.177	2.5486	294.257552431563
Cond-002834	NPD2923	NPD2923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9736577519	COCCCNC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O	InChI=1S/C24H29NO5/c1-14-16(9-10-21(26)25-11-6-12-28-3)24(27)30-22-15(2)23-19(13-18(14)22)17-7-4-5-8-20(17)29-23/h13H,4-12H2,1-3H3,(H,25,26)	C24H29NO5	411.491	6	1	77.77	4	8	0	0.00320000000000076	4.44308000000001	3.44	3.013	78.4417	119.8667	3.1481	388.926937723775
Cond-002835	NPD2924	NPD2924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.069040804	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccco1	InChI=1S/C29H28N4O4S/c1-38-14-12-23(27(34)30-16-17-7-6-13-37-17)32-28(35)24-15-21-18-8-4-5-11-22(18)31-25(21)26-19-9-2-3-10-20(19)29(36)33(24)26/h2-11,13,23-24,26,31H,12,14-16H2,1H3,(H,30,34)(H,32,35)/t23-,24-,26?/m0/s1	C29H28N4O4S	528.622	8	3	132.74	6	10	0	-2.353	3.01499	3.66	4.88	67.9787	150.4584	3.82460000000001	458.420727929047
Cond-002836	NPD2926	NPD2926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	77.5577966648	Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(=O)oc1c2C	InChI=1S/C25H23NO6/c1-13-12-31-22-15(3)23-18(10-17(13)22)14(2)19(25(30)32-23)11-21(27)26-20(24(28)29)9-16-7-5-4-6-8-16/h4-8,10,12,20H,9,11H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1	C25H23NO6	433.453	7	2	105.84	4	7	0	0.822899999999999	3.93551	3.44	4.765	59.6937	120.2945	3.1757	393.567314247002
Cond-002837	NPD2927	NPD2927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.24925395	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(OC)cc1	InChI=1S/C30H28N4O4/c1-17(28(35)31-16-18-11-13-19(38-2)14-12-18)32-29(36)25-15-23-20-7-5-6-10-24(20)33-26(23)27-21-8-3-4-9-22(21)30(37)34(25)27/h3-14,17,25,27,33H,15-16H2,1-2H3,(H,31,35)(H,32,36)/t17-,25-,27?/m0/s1	C30H28N4O4	508.568	8	3	103.53	6	8	0	-2.6159	2.71659000000001	3.88	4.858	58.4601	144.9904	3.75900000000001	454.571229796514
Cond-002838	NPD2928	NPD2928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.98491097	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C21H31N3O4S/c1-29-12-11-17(22)20(26)23-13-14-7-9-16(10-8-14)19(25)24-18(21(27)28)15-5-3-2-4-6-15/h2-6,14,16-18H,7-13,22H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t14-,16-,17-,18+/m0/s1	C21H31N3O4S	421.554	7	5	146.82	2	12	1	-1.5738	1.82429	2.89	0.984	83.0278	116.8586	3.29	407.000677721947
Cond-002839	NPD2929	NPD2929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.021590413	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)NC1CCCC1	InChI=1S/C29H32N4O3S/c1-37-15-14-23(27(34)30-17-8-2-3-9-17)32-28(35)24-16-21-18-10-6-7-13-22(18)31-25(21)26-19-11-4-5-12-20(19)29(36)33(24)26/h4-7,10-13,17,23-24,26,31H,2-3,8-9,14-16H2,1H3,(H,30,34)(H,32,35)/t23-,24-,26?/m0/s1	C29H32N4O3S	516.654	7	3	119.6	6	9	1	-3.4129	3.52309000000001	3.77	5.257	76.6917	148.6294	3.8519	465.803418630086
Cond-002840	NPD293	NPD293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4356435644	COC(=O)COc1cc2c(cc1)c(=O)c(co2)c1cc2c(OCCO2)cc1	InChI=1S/C20H16O7/c1-23-19(21)11-26-13-3-4-14-17(9-13)27-10-15(20(14)22)12-2-5-16-18(8-12)25-7-6-24-16/h2-5,8-10H,6-7,11H2,1H3	C20H16O7	368.337	7	0	80.29	4	5	0	-1.2964	4.17935	2.89	2.562	46.1374	102.6845	2.5161	321.053775011663
Cond-002841	NPD2930	NPD2930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1876818384	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C26H29N3O3S/c1-15-9-10-18-22(16(15)2)27-25(32)26(18)21-20(19(28-26)12-14-33-3)23(30)29(24(21)31)13-11-17-7-5-4-6-8-17/h4-10,19-21,28H,11-14H2,1-3H3,(H,27,32)/t19?,20-,21+,26?/m1/s1	C26H29N3O3S	463.592	6	2	103.81	5	6	1	-0.4705	3.00643	3.55	5.283	77.3508	130.7724	3.481	428.811621945919
Cond-002842	NPD2932	NPD2932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.759906933	Cc1c2oc(=O)c(CC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C27H31NO6/c1-14-19-11-21-18-5-3-4-6-22(18)33-25(21)15(2)24(19)34-27(32)20(14)12-23(29)28-13-16-7-9-17(10-8-16)26(30)31/h11,16-17H,3-10,12-13H2,1-2H3,(H,28,29)(H,30,31)/t16?,17-	C27H31NO6	465.538	7	2	105.84	5	6	0	0.600800000000001	4.90748000000001	3.66	3.54	90.0876	131.8405	3.4779	434.612200900336
Cond-002843	NPD2933	NPD2933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3968711404	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NCc5ccc(cc5)C(F)(F)F)C(=O)[C@]34C)c2c1	InChI=1S/C26H25F3N4O4/c1-14(22(34)30-13-15-4-6-16(7-5-15)26(27,28)29)33-23(35)25(2)21-18(10-11-32(25)24(33)36)19-12-17(37-3)8-9-20(19)31-21/h4-9,12,14,31H,10-11,13H2,1-3H3,(H,30,34)/t14-,25-/m0/s1	C26H25F3N4O4	514.496	8	2	94.74	5	7	0	-0.432499999999999	2.43528	3.11	3.762	70.5092	129.6227	3.4861	434.755802647166
Cond-002844	NPD2934	NPD2934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.2102802606	COc1cc2c(cc1OC)c(O)c(C(=O)NCCc1cc(OC)c(OC)cc1)c(O)n2	InChI=1S/C22H24N2O7/c1-28-15-6-5-12(9-16(15)29-2)7-8-23-21(26)19-20(25)13-10-17(30-3)18(31-4)11-14(13)24-22(19)27/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)(H2,24,25,27)	C22H24N2O7	428.435	9	3	119.37	3	9	0	-1.4954	3.02648	2.89	2.991	50.9979	117.8223	3.1061	379.09572338053
Cond-002845	NPD2936	NPD2936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4629910474	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCCOC	InChI=1S/C29H34N4O4/c1-17(2)15-23(27(34)30-13-8-14-37-3)32-28(35)24-16-21-18-9-6-7-12-22(18)31-25(21)26-19-10-4-5-11-20(19)29(36)33(24)26/h4-7,9-12,17,23-24,26,31H,8,13-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24-,26?/m0/s1	C29H34N4O4	502.605	8	3	103.53	5	11	1	-2.1151	2.90999000000001	3.77	4.63	78.9048	144.1894	3.8557	468.441079973847
Cond-002846	NPD2937	NPD2937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5267733649	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C17H22N2O5S/c1-19-12(16(20)18-11(17(21)22)7-8-25-4)9-10-13(23-2)5-6-14(24-3)15(10)19/h5-6,9,11H,7-8H2,1-4H3,(H,18,20)(H,21,22)/t11-/m0/s1	C17H22N2O5S	366.432	7	2	115.09	2	9	0	-0.603299999999999	3.27147	2.45	1.884	62.3239	104.257	2.6853	324.710205710874
Cond-002847	NPD2938	NPD2938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7920792079	Cc1cc(=O)oc2c3CN(Cc4cc(ccc4)C(F)(F)F)COc3ccc12	InChI=1S/C20H16F3NO3/c1-12-7-18(25)27-19-15(12)5-6-17-16(19)10-24(11-26-17)9-13-3-2-4-14(8-13)20(21,22)23/h2-8H,9-11H2,1H3	C20H16F3NO3	375.341	4	0	38.77	4	3	1	1.7023	4.46717	2.89	5.182	45.4272	96.193	2.4772	317.728763669304
Cond-002848	NPD2940	NPD2940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.620043833	COc1cc(OC)cc(NC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)c1	InChI=1S/C25H25NO6/c1-13-15(3)31-22-12-23-21(11-20(13)22)14(2)19(25(28)32-23)6-7-24(27)26-16-8-17(29-4)10-18(9-16)30-5/h8-12H,6-7H2,1-5H3,(H,26,27)	C25H25NO6	435.469	7	1	87	4	7	0	0.9137	5.7503	3.44	3.59	64.0136	126.0467	3.2187	396.203772947802
Cond-002849	NPD2941	NPD2941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1295609076	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCC1CCCO1)c1cc(OC)ccc1	InChI=1S/C32H30N4O5/c1-40-22-7-4-6-20(16-22)29-28-25(24-9-2-3-10-26(24)34-28)17-27-31(38)35(32(39)36(27)29)21-13-11-19(12-14-21)30(37)33-18-23-8-5-15-41-23/h2-4,6-7,9-14,16,23,27,29,34H,5,8,15,17-18H2,1H3,(H,33,37)/t23?,27-,29?/m0/s1	C32H30N4O5	550.604	9	2	103.97	7	7	0	-2.7606	4.10208000000001	3.99	4.8	64.7921	155.8877	3.9909	485.596967048009
Cond-002850	NPD2942	NPD2942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.5016430154	CCCCc1cc(=O)oc2cc(OC(=O)C(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12	InChI=1S/C28H27NO6S/c1-3-4-8-21-17-26(30)35-25-18-22(13-16-24(21)25)34-28(31)27(20-9-6-5-7-10-20)29-36(32,33)23-14-11-19(2)12-15-23/h5-7,9-18,27,29H,3-4,8H2,1-2H3	C28H27NO6S	505.582	7	1	107.15	4	10	1	-0.9306	5.55718	3.66	8.213	58.1606	133.9607	3.7189	461.327833481403
Cond-002851	NPD2943	NPD2943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2302121805	OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C28H25N3O7/c32-24(38-17-19-11-5-2-6-12-19)16-22(27(35)36)29-25(33)23(15-18-9-3-1-4-10-18)31-26(34)20-13-7-8-14-21(20)30-28(31)37/h1-14,22-23H,15-17H2,(H,29,33)(H,30,37)(H,35,36)/t22-,23-/m0/s1	C28H25N3O7	515.514	10	3	145.6	4	12	2	-1.3691	2.79418	3.44	7.026	57.6439	139.9928	3.72770000000001	468.329639139097
Cond-002852	NPD2944	NPD2944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5103857567	COc1cc2c(CN(CC(=O)N(C)Cc3ccccc3)CC2)cc1OC	InChI=1S/C21H26N2O3/c1-22(13-16-7-5-4-6-8-16)21(24)15-23-10-9-17-11-19(25-2)20(26-3)12-18(17)14-23/h4-8,11-12H,9-10,13-15H2,1-3H3	C21H26N2O3	354.443	5	0	42.01	3	7	0	-0.5343	2.27539	3.22	3.509	53.8182	103.174	2.8164	342.811749354019
Cond-002853	NPD2945	NPD2945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4026296204	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1	InChI=1S/C28H24FN3O3/c1-3-35-24-13-10-18(14-25(24)34-2)26-27-21(20-6-4-5-7-22(20)31-27)15-23(32-26)28(33)30-16-17-8-11-19(29)12-9-17/h4-15,31H,3,16H2,1-2H3,(H,30,33)	C28H24FN3O3	469.507	6	2	76.24	5	8	1	-0.417099999999999	5.86527000000001	3.77	6.004	35.2516	139.9907	3.44500000000001	407.716291187159
Cond-002854	NPD2946	NPD2946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.328533073	CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O)C(=O)O	InChI=1S/C24H28N2O7/c1-5-12(2)22(23(29)30)26-21(28)10-25-20(27)7-6-15-14(4)17-8-16-13(3)11-32-18(16)9-19(17)33-24(15)31/h8-9,11-12,22H,5-7,10H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t12-,22+/m1/s1	C24H28N2O7	456.488	9	3	134.94	3	11	1	-0.759000000000003	3.21719	3.11	1.953	83.5407	123.5902	3.3879	424.587692632263
Cond-002855	NPD2947	NPD2947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.5861636131	NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C30H29N5O7/c31-25(36)17-22(26(37)33-23(29(40)41)15-18-9-3-1-4-10-18)32-27(38)24(16-19-11-5-2-6-12-19)35-28(39)20-13-7-8-14-21(20)34-30(35)42/h1-14,22-24H,15-17H2,(H2,31,36)(H,32,38)(H,33,37)(H,34,42)(H,40,41)/t22-,23+,24-/m0/s1	C30H29N5O7	571.581	12	6	191.49	4	14	3	-2.6539	1.60308	3.44	6.032	69.7112	155.7819	4.16610000000001	522.278670106364
Cond-002856	NPD2948	NPD2948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3857977705	COc1ccc(cc1)N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1	InChI=1S/C26H23NO4/c1-17-21-12-13-24-23(15-27(16-30-24)19-8-10-20(29-2)11-9-19)25(21)31-26(28)22(17)14-18-6-4-3-5-7-18/h3-13H,14-16H2,1-2H3	C26H23NO4	413.465	5	0	48	5	4	1	0.908099999999999	6.28196000000001	3.77	7.022	45.0522	125.726	3.0906	380.926386770947
Cond-002857	NPD2949	NPD2949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.565776459	C=C1N(CCc2cc3c(OCO3)cc12)C(=O)/C=C/c1cc2c(OCO2)cc1	InChI=1S/C21H17NO5/c1-13-16-10-20-19(26-12-27-20)9-15(16)6-7-22(13)21(23)5-3-14-2-4-17-18(8-14)25-11-24-17/h2-5,8-10H,1,6-7,11-12H2/b5-3+	C21H17NO5	363.363	6	0	57.23	5	3	0	-0.3512	4.08285	3.11	3.287	51.2681	103.856	2.5308	319.409607743774
Cond-002858	NPD295	NPD295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0081880426	CCCc1cc2c(occ(c3csc(C)n3)c2=O)cc1OC(=O)CN	InChI=1S/C18H18N2O4S/c1-3-4-11-5-12-16(6-15(11)24-17(21)7-19)23-8-13(18(12)22)14-9-25-10(2)20-14/h5-6,8-9H,3-4,7,19H2,1-2H3	C18H18N2O4S	358.412	6	2	119.75	3	6	0	-1.2419	4.11658	2.67	3.136	57.749	101.4259	2.5729	315.586587533779
Cond-002859	NPD2950	NPD2950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.725984409	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1c(Cl)cccc1)c1ccc(OC)cc1	InChI=1S/C34H27ClN4O4/c1-43-24-16-12-20(13-17-24)31-30-26(25-7-3-5-9-28(25)37-30)18-29-33(41)38(34(42)39(29)31)23-14-10-21(11-15-23)32(40)36-19-22-6-2-4-8-27(22)35/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.2474	5.43718000000001	4.21	7.029	54.8553	166.4467	4.20740000000001	507.800401267214
Cond-002860	NPD2951	NPD2951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.858179265	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)NCC(=O)O)C(=O)[C@]34C)c2c1	InChI=1S/C20H22N4O6/c1-10(17(27)21-9-15(25)26)24-18(28)20(2)16-12(6-7-23(20)19(24)29)13-8-11(30-3)4-5-14(13)22-16/h4-5,8,10,22H,6-7,9H2,1-3H3,(H,21,27)(H,25,26)/t10-,20-/m0/s1	C20H22N4O6	414.412	10	3	132.04	4	6	0	-1.9838	0.61738	2.56	-0.245	71.1437	108.9005	2.8996	358.887047844569
Cond-002861	NPD2952	NPD2952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1837861828	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cccc4CC)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C26H27N3O5/c1-2-16-9-6-10-17-22(16)27-25(34)26(17)21-20(18(28-26)11-12-19(30)31)23(32)29(24(21)33)14-13-15-7-4-3-5-8-15/h3-10,18,20-21,28H,2,11-14H2,1H3,(H,27,34)(H,30,31)/t18?,20-,21+,26?/m1/s1	C26H27N3O5	461.51	8	3	115.81	5	7	0	-2.3571	2.56978	3.44	4.033	70.2632	126.4752	3.3919	425.246592588641
Cond-002862	NPD2953	NPD2953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.926741663	COC(=O)C(C)Oc1ccc2cc(c(=O)oc2c1)c1cc(=O)oc2c1ccc(OC)c2	InChI=1S/C23H18O8/c1-12(22(25)28-3)29-15-5-4-13-8-18(23(26)31-19(13)10-15)17-11-21(24)30-20-9-14(27-2)6-7-16(17)20/h4-12H,1-3H3	C23H18O8	422.384	8	0	97.36	4	6	0	-0.0450000000000002	3.30976	3.11	3.792	60.8501	111.946	2.9115	376.459038188224
Cond-002863	NPD2954	NPD2954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.264994442	Cc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(Cl)cc1	InChI=1S/C26H20ClN3O/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)29-25)14-23(30-24)26(31)28-15-17-8-12-19(27)13-9-17/h2-14,29H,15H2,1H3,(H,28,31)	C26H20ClN3O	425.909	4	2	57.78	5	5	1	0.3427	6.00029	3.77	7.562	26.5714	130.9617	3.15050000000001	364.68737745443
Cond-002864	NPD2955	NPD2955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5713939159	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(CC)cc1)c1ccc(C)cc1	InChI=1S/C35H30N4O3/c1-3-22-14-18-24(19-15-22)36-33(40)26-9-5-7-11-29(26)39-34(41)30-20-27-25-8-4-6-10-28(25)37-31(27)32(38(30)35(39)42)23-16-12-21(2)13-17-23/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O3	554.638	7	2	85.51	7	6	1	-1.0026	6.62749000000001	4.54	9.493	53.0643	165.6847	4.16720000000001	501.095091422086
Cond-002865	NPD2956	NPD2956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0284721882	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(C)cc1	InChI=1S/C32H32N4O3/c1-18(2)27(31(38)33-17-20-14-12-19(3)13-15-20)35-30(37)26-16-24-21-8-6-7-11-25(21)34-28(24)29-22-9-4-5-10-23(22)32(39)36(26)29/h4-15,18,26-27,29,34H,16-17H2,1-3H3,(H,33,38)(H,35,37)/t26-,27-,29?/m0/s1	C32H32N4O3	520.621	7	3	94.3	6	8	1	-1.4005	3.37211000000001	4.21	6.913	65.0155	151.2424	3.98210000000001	480.372972347686
Cond-002866	NPD2957	NPD2957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.2904564315	Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(Cl)cc3)ccc12	InChI=1S/C19H16ClNO4/c1-12-8-19(23)25-17-9-15(6-7-16(12)17)24-11-18(22)21-10-13-2-4-14(20)5-3-13/h2-9H,10-11H2,1H3,(H,21,22)	C19H16ClNO4	357.788	5	1	64.63	3	6	0	0.4816	3.56997	2.89	3.656	44.7676	98.0077	2.5299	315.951396963512
Cond-002867	NPD2958	NPD2958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.2748469906	CCC(C)[C@H](NC(=O)COc1cc2c(cc1)C(=O)/C(=C/c1cc3c(OCO3)cc1)/O2)C(=O)O	InChI=1S/C24H23NO8/c1-3-13(2)22(24(28)29)25-21(26)11-30-15-5-6-16-18(10-15)33-20(23(16)27)9-14-4-7-17-19(8-14)32-12-31-17/h4-10,13,22H,3,11-12H2,1-2H3,(H,25,26)(H,28,29)/b20-9-/t13?,22-/m0/s1	C24H23NO8	453.441	9	2	120.39	4	9	0	-2.1905	4.57935	3.11	3.688	65.5938	124.823	3.1952	407.388241723058
Cond-002868	NPD2959	NPD2959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1109561406	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)n(C)c2ccccc2c1=O)C(=O)O	InChI=1S/C24H27N3O5/c1-15(2)13-18(23(30)31)25-21(28)20(14-16-9-5-4-6-10-16)27-22(29)17-11-7-8-12-19(17)26(3)24(27)32/h4-12,15,18,20H,13-14H2,1-3H3,(H,25,28)(H,30,31)/t18-,20-/m0/s1	C24H27N3O5	437.488	8	2	107.02	3	9	1	-0.946799999999999	3.15929	3.22	5.67	65.4722	122.609	3.3273	415.367540738508
Cond-002869	NPD296	NPD296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9931766311	[Na+].CC(Cc1c[nH]c2c1cccc2)NC(=O)OCCSS(=O)(=O)[O-]	InChI=1S/C14H18N2O5S2.Na/c1-10(16-14(17)21-6-7-22-23(18,19)20)8-11-9-15-13-5-3-2-4-12(11)13;/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1	C14H17N2NaO5S2	380.415	7	2	145	2	9	0	-1.0466	1.85358	2.01	1.771	52.1143	85.5706	2.4476	292.649505241273
Cond-002870	NPD2960	NPD2960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7921550165	CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C25H23NO6S/c1-14-16-10-18-19(15-6-4-3-5-7-15)13-31-21(18)12-22(16)32-25(30)17(14)11-23(27)26-20(24(28)29)8-9-33-2/h3-7,10,12-13,20H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)/t20-/m0/s1	C25H23NO6S	465.518	7	2	131.14	4	9	1	-0.107	5.10527000000001	3.33	5.266	64.9381	132.1875	3.3392	412.076338304602
Cond-002871	NPD2961	NPD2961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9196545534	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOC(C)C)c1ccc(OC)cc1	InChI=1S/C33H34N4O5/c1-20(2)42-18-8-17-34-31(38)24-10-5-7-12-27(24)37-32(39)28-19-25-23-9-4-6-11-26(23)35-29(25)30(36(28)33(37)40)21-13-15-22(41-3)16-14-21/h4-7,9-16,20,28,30,35H,8,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1	C33H34N4O5	566.647	9	2	103.97	6	10	1	-2.37	4.73818000000001	4.1	5.709	73.6779	162.6187	4.24040000000001	515.249410374675
Cond-002872	NPD2962	NPD2962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0038016243	Cc1c(C)c2ccc(OCC(=O)Nc3c(cccc3)C(=O)N)cc2oc1=O	InChI=1S/C20H18N2O5/c1-11-12(2)20(25)27-17-9-13(7-8-14(11)17)26-10-18(23)22-16-6-4-3-5-15(16)19(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,23)	C20H18N2O5	366.367	7	3	107.72	3	6	0	-0.356	3.66746	2.89	2.947	46.2384	103.9146	2.6639	335.186842026874
Cond-002873	NPD2963	NPD2963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4480277847	COc1ccc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)c3)C2=O)c1	InChI=1S/C30H26N2O8/c1-37-19-8-10-25(38-2)17(11-19)13-27-29(34)22-9-7-20(14-26(22)40-27)39-16-28(33)32-24(30(35)36)12-18-15-31-23-6-4-3-5-21(18)23/h3-11,13-15,24,31H,12,16H2,1-2H3,(H,32,33)(H,35,36)/b27-13-/t24-/m1/s1	C30H26N2O8	542.536	10	3	136.18	5	11	1	-2.2461	4.96825	3.66	4.401	63.5731	153.764	3.85980000000001	477.458616182425
Cond-002874	NPD2964	NPD2964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7934316288	COc1cccc(OC)c1C(=O)Oc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1	InChI=1S/C25H18O8/c1-28-18-4-3-5-19(29-2)23(18)25(27)32-15-7-8-16-20(12-15)33-22(24(16)26)11-14-6-9-17-21(10-14)31-13-30-17/h3-12H,13H2,1-2H3/b22-11-	C25H18O8	446.406	8	0	89.52	5	6	1	-0.894300000000001	5.55595	3.33	5.384	45.0068	124.5895	3.0417	385.158090038357
Cond-002875	NPD2965	NPD2965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6812113967	COc1ccc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1OC	InChI=1S/C21H20N2O6/c1-27-16-9-7-12(11-17(16)28-2)22-19(25)15-8-10-18(24)23(15)20-13-5-3-4-6-14(13)21(26)29-20/h3-7,9,11,15,20H,8,10H2,1-2H3,(H,22,25)/t15-,20?/m0/s1	C21H20N2O6	396.393	8	1	94.17	4	6	0	-1.7424	2.78459	2.89	2.768	49.7674	105.3947	2.7979	351.553053353302
Cond-002876	NPD2966	NPD2966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0202516856	CCc1cc(=O)oc2cc(C)cc(OC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)c12	InChI=1S/C28H25NO6/c1-3-20-16-24(30)34-22-14-18(2)15-23(25(20)22)35-27(31)26(21-12-8-5-9-13-21)29-28(32)33-17-19-10-6-4-7-11-19/h4-16,26H,3,17H2,1-2H3,(H,29,32)	C28H25NO6	471.501	7	1	90.93	4	10	1	0.702699999999999	4.87149000000001	3.77	8.383	54.2872	131.2737	3.51240000000001	440.182350723002
Cond-002877	NPD2967	NPD2967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7035859302	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NC1CCCC1	InChI=1S/C24H23N3O2/c28-23(25-14-7-1-2-8-14)20-13-18-15-9-5-6-12-19(15)26-21(18)22-16-10-3-4-11-17(16)24(29)27(20)22/h3-6,9-12,14,20,22,26H,1-2,7-8,13H2,(H,25,28)/t20-,22?/m0/s1	C24H23N3O2	385.458	5	2	65.2	6	3	0	-3.0375	3.28519000000001	3.55	4.588	44.8134	113.6997	2.8684	343.663943235224
Cond-002878	NPD2969	NPD2969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0100122039	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1ccc(OC)cc1)c1cc(OC)ccc1	InChI=1S/C35H30N4O5/c1-43-25-16-10-21(11-17-25)20-36-33(40)22-12-14-24(15-13-22)38-34(41)30-19-28-27-8-3-4-9-29(27)37-31(28)32(39(30)35(38)42)23-6-5-7-26(18-23)44-2/h3-18,30,32,37H,19-20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O5	586.637	9	2	103.97	7	8	1	-2.0435	4.79238000000001	4.32	6.278	56.5555	167.9887	4.28460000000001	518.675544823208
Cond-002879	NPD297	NPD297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6285003111	CC(Oc1cc2c(cc1)c(cc(=O)o2)c1ccccc1)C(=O)ON1C(=O)CCC1=O	InChI=1S/C22H17NO7/c1-13(22(27)30-23-19(24)9-10-20(23)25)28-15-7-8-16-17(14-5-3-2-4-6-14)12-21(26)29-18(16)11-15/h2-8,11-13H,9-10H2,1H3	C22H17NO7	407.373	8	0	99.21	4	6	0	-0.9653	2.55157	3	4.22	53.9288	108.158	2.8117	361.369587069963
Cond-002880	NPD2970	NPD2970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.4525167247	COc1cc(c(OC)cc1)c1c(C)c2ccc([O-])c(C[NH+](C)C)c2oc1=O	InChI=1S/C21H23NO5/c1-12-14-7-8-17(23)16(11-22(2)3)20(14)27-21(24)19(12)15-10-13(25-4)6-9-18(15)26-5/h6-10,23H,11H2,1-5H3	C21H23NO5	369.411	6	1	72.26	3	5	0	-1.4979	2.70017	3.11	2.383	50.4094	106.2747	2.791	346.758983846174
Cond-002881	NPD2971	NPD2971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	21.9946480033	COc1c(cccc1)C1CN2C(=O)CN(Cc3c(Cl)cccc3F)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H25ClFN3O3/c1-29-27-26(18-9-3-5-12-23(18)32-27)19(17-8-4-6-13-24(17)37-2)15-34(29)25(35)16-33(28(29)36)14-20-21(30)10-7-11-22(20)31/h3-13,19,32H,14-16H2,1-2H3/t19?,29-/m0/s1	C29H25ClFN3O3	517.979	6	1	65.64	6	4	1	-0.5761	4.71529	3.77	5.238	57.5817	141.549	3.6427	441.403343583459
Cond-002882	NPD2972	NPD2972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3062684259	CC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1)C(=O)O	InChI=1S/C22H31N3O4/c1-15(2)18(20(27)28)24-21(29)22(16-7-4-3-5-8-16)10-13-25(14-11-22)19(26)17-9-6-12-23-17/h3-5,7-8,15,17-18,23H,6,9-14H2,1-2H3,(H,24,29)(H,27,28)/t17-,18-/m0/s1	C22H31N3O4	401.499	7	3	98.74	3	8	0	-2.0709	1.75809	3.11	3.124	77.7996	112.6062	3.1588	393.431179589414
Cond-002883	NPD2974	NPD2974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3239311603	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C32H29ClN4O5/c1-41-25-10-7-17(13-26(25)42-2)11-12-37-29(38)27-24(14-18-16-34-22-6-4-3-5-20(18)22)36-32(28(27)30(37)39)21-15-19(33)8-9-23(21)35-31(32)40/h3-10,13,15-16,24,27-28,34,36H,11-12,14H2,1-2H3,(H,35,40)/t24?,27-,28+,32?/m1/s1	C32H29ClN4O5	585.049	9	3	112.76	7	7	0	-1.8883	4.51518000000001	3.88	3.683	73.6452	162.0834	4.11330000000001	500.808034818442
Cond-002884	NPD2975	NPD2975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.187425456	COc1ccc(cc1)c1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12	InChI=1S/C30H29NO7/c1-35-23-13-11-22(12-14-23)26-19-29(33)38-27-18-24(15-16-25(26)27)37-28(32)10-6-3-7-17-31-30(34)36-20-21-8-4-2-5-9-21/h2,4-5,8-9,11-16,18-19H,3,6-7,10,17,20H2,1H3,(H,31,34)	C30H29NO7	515.554	8	1	100.16	4	14	2	-0.9585	5.65057000000001	3.88	7.486	60.4238	144.3687	3.8529	483.564546675297
Cond-002885	NPD2976	NPD2976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9423464126	Cc1cc(C)c(N2COc3ccc4c5c(CCC5)c(=O)oc4c3C2)c(C)c1	InChI=1S/C23H23NO3/c1-13-9-14(2)21(15(3)10-13)24-11-19-20(26-12-24)8-7-17-16-5-4-6-18(16)23(25)27-22(17)19/h7-10H,4-6,11-12H2,1-3H3	C23H23NO3	361.434	4	0	38.77	5	1	0	1.6245	5.33343000000001	3.55	4.872	56.782	108.391	2.7382	339.057582295185
Cond-002886	NPD2977	NPD2977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.7979190295	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C25H25ClN4O4/c1-13-11-15(26)12-16-21(13)28-24(34)25(16)20-19(17(29-25)7-8-18(27)31)22(32)30(23(20)33)10-9-14-5-3-2-4-6-14/h2-6,11-12,17,19-20,29H,7-10H2,1H3,(H2,27,31)(H,28,34)/t17?,19-,20+,25?/m1/s1	C25H25ClN4O4	480.943	8	4	121.6	5	6	0	-1.6727	2.14421	3.22	2.621	71.2526	127.5718	3.4145	425.368209240814
Cond-002887	NPD2978	NPD2978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.2379486169	OC(CNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1ccccc1)c1ccccc1	InChI=1S/C26H21N3O2/c30-23(17-9-3-1-4-10-17)16-27-26(31)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1-15,23,28,30H,16H2,(H,27,31)	C26H21N3O2	407.464	5	3	78.01	5	6	1	-1.5543	4.85067000000001	3.77	7.104	21.4162	128.4125	3.08680000000001	358.266536384558
Cond-002888	NPD2979	NPD2979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	74.684476747	CCCCc1ccc(cc1)N1COc2ccc3c(C)c(C)c(=O)oc3c2C1	InChI=1S/C23H25NO3/c1-4-5-6-17-7-9-18(10-8-17)24-13-20-21(26-14-24)12-11-19-15(2)16(3)23(25)27-22(19)20/h7-12H,4-6,13-14H2,1-3H3	C23H25NO3	363.449	4	0	38.77	4	4	1	0.683400000000002	6.39316000000001	3.55	6.336	55.2248	113.314	2.8468	351.414040995985
Cond-002889	NPD298	NPD298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9821242788	COc1cc2c(cc1OC)C(C)N(CC1(CCCC1)c1ccccc1)CC2	InChI=1S/C24H31NO2/c1-18-21-16-23(27-3)22(26-2)15-19(21)11-14-25(18)17-24(12-7-8-13-24)20-9-5-4-6-10-20/h4-6,9-10,15-16,18H,7-8,11-14,17H2,1-3H3	C24H31NO2	365.508	3	0	21.7	4	5	1	-0.6317	5.29459000000001	3.77	6.925	58.8769	111.109	3.015	365.192716322891
Cond-002890	NPD2980	NPD2980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.0270297202	CC(=O)OC[C@H]1OC(Oc2c(cccc2)C(=O)N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C21H25NO11/c1-10(23)28-9-16-17(29-11(2)24)18(30-12(3)25)19(31-13(4)26)21(33-16)32-15-8-6-5-7-14(15)20(22)27/h5-8,16-19,21H,9H2,1-4H3,(H2,22,27)/t16-,17-,18+,19-,21?/m1/s1	C21H25NO11	467.423	12	2	166.75	2	12	2	-1.3256	0.982079999999999	2.45	1.118	79.0254	112.8479	3.2518	422.756802750341
Cond-002891	NPD2981	NPD2981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.2299466531	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](C)C(=O)O	InChI=1S/C26H30N4O6/c1-15(2)13-20(22(31)27-16(3)25(34)35)28-23(32)21(14-17-9-5-4-6-10-17)30-24(33)18-11-7-8-12-19(18)29-26(30)36/h4-12,15-16,20-21H,13-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16-,20+,21+/m1/s1	C26H30N4O6	494.54	10	4	148.4	3	12	2	-1.2365	2.55098	3.22	5.813	77.4734	136.9535	3.72460000000001	467.110038198169
Cond-002892	NPD2982	NPD2982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7583481525	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)C)C(=O)NCCCc1ccccc1	InChI=1S/C27H33N3O3S/c1-17(2)21(23(31)28-16-10-13-18-11-6-5-7-12-18)29-24(32)22-27(3,4)34-26-20-15-9-8-14-19(20)25(33)30(22)26/h5-9,11-12,14-15,17,21-22,26H,10,13,16H2,1-4H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1	C27H33N3O3S	479.634	6	2	103.81	4	10	1	-0.542800000000002	3.6068	3.66	6.883	80.4661	137.8614	3.7305	458.464065272586
Cond-002893	NPD2983	NPD2983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1034070532	COc1cccc(NC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)c1	InChI=1S/C23H21NO5/c1-13-12-28-20-11-21-19(10-18(13)20)14(2)17(23(26)29-21)7-8-22(25)24-15-5-4-6-16(9-15)27-3/h4-6,9-12H,7-8H2,1-3H3,(H,24,25)	C23H21NO5	391.417	6	1	77.77	4	6	0	0.525999999999999	5.73288	3.33	3.537	50.9653	113.4257	2.8782	352.821576995507
Cond-002894	NPD2985	NPD2985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.022463733	CNC(=O)C(=O)c1c(c(c2n1ccc1cc(OC)c(OC)cc21)c1ccc(OC)c(OC)c1)c1ccccc1	InChI=1S/C31H28N2O6/c1-32-31(35)30(34)29-26(18-9-7-6-8-10-18)27(20-11-12-22(36-2)23(16-20)37-3)28-21-17-25(39-5)24(38-4)15-19(21)13-14-33(28)29/h6-17H,1-5H3,(H,32,35)	C31H28N2O6	524.564	8	1	87.5	5	9	1	-0.9903	6.12548	3.99	5.769	50.6454	156.4322	3.88330000000001	466.274147407169
Cond-002895	NPD2986	NPD2986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9707086148	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O	InChI=1S/C25H24N4O6/c1-12-2-4-15-14(8-12)25(24(33)27-15)21-20(16(28-25)5-7-19(26)30)22(31)29(23(21)32)10-13-3-6-17-18(9-13)35-11-34-17/h2-4,6,8-9,16,20-21,28H,5,7,10-11H2,1H3,(H2,26,30)(H,27,33)/t16?,20-,21+,25?/m1/s1	C25H24N4O6	476.481	10	4	140.06	6	5	0	-2.9753	1.3383	3.11	0.573	68.6573	125.1228	3.3009	415.381136170702
Cond-002896	NPD2987	NPD2987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	108.175540209	Cc1c2oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C24H25NO6/c1-12-15-10-17-14-6-3-4-8-19(14)30-22(17)13(2)21(15)31-24(29)16(12)11-20(26)25-9-5-7-18(25)23(27)28/h10,18H,3-9,11H2,1-2H3,(H,27,28)/t18-/m0/s1	C24H25NO6	423.458	7	1	97.05	5	4	0	-0.703899999999998	3.97588000000001	3.33	2.809	75.002	118.1178	3.0552	382.724247022735
Cond-002897	NPD2988	NPD2988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3693201569	COc1c2c(CCCCCC(=O)CCC[C@H](C)OC2=O)cc(OCC(=O)NC(C)C)c1	InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-20-13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21(14-20)29-4/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1	C24H35NO6	433.538	7	1	90.93	2	6	0	-2.6523	3.96819000000001	3.33	4.43	85.5898	120.6967	3.467	435.966540526736
Cond-002898	NPD2989	NPD2989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.8670606347	Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C23H19ClN2O6/c1-11-14-7-16(24)19(27)9-20(14)32-23(31)15(11)8-21(28)26-18(22(29)30)6-12-10-25-17-5-3-2-4-13(12)17/h2-5,7,9-10,18,25,27H,6,8H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1	C23H19ClN2O6	454.86	8	4	128.72	4	7	0	-0.4434	3.89686	3	2.634	58.5506	123.2473	3.1161	385.183172973869
Cond-002899	NPD299	NPD299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.2072879901	COc1c(OC)c2c(cc1)C(CC(=O)c1cc(Cl)ccc1O)OC2=O	InChI=1S/C18H15ClO6/c1-23-14-6-4-10-15(25-18(22)16(10)17(14)24-2)8-13(21)11-7-9(19)3-5-12(11)20/h3-7,15,20H,8H2,1-2H3	C18H15ClO6	362.761	6	1	82.06	3	5	0	-0.1901	3.2293	2.67	3.016	42.3966	92.2763	2.4496	307.875564231401
Cond-002900	NPD2990	NPD2990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5088067477	Cc1c(CC(=O)NCC(O)c2ccccc2)c(=O)oc2cc(O)ccc12	InChI=1S/C20H19NO5/c1-12-15-8-7-14(22)9-18(15)26-20(25)16(12)10-19(24)21-11-17(23)13-5-3-2-4-6-13/h2-9,17,22-23H,10-11H2,1H3,(H,21,24)	C20H19NO5	353.369	6	3	95.86	3	6	0	-0.931900000000001	2.53547	3	3.002	44.9022	98.8283	2.6071	326.826540519507
Cond-002901	NPD2991	NPD2991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9601103122	COc1cc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)ccc1OCC=C	InChI=1S/C26H30N2O3/c1-6-15-31-22-10-8-19(17-23(22)30-5)11-13-26-25(3,4)20-16-18(2)7-9-21(20)28(26)14-12-24(29)27-26/h6-11,13,16-17H,1,12,14-15H2,2-5H3,(H,27,29)/b13-11+	C26H30N2O3	418.528	5	1	50.8	4	6	1	1.982	4.81968000000001	3.77	5.273	75.1412	125.9997	3.3263	411.662296380953
Cond-002902	NPD2992	NPD2992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8590388096	Cc1coc2c3c(oc(=O)c(CC(=O)NCc4ncccc4)c3C)cc(C)c12	InChI=1S/C22H20N2O4/c1-12-8-17-20(21-19(12)13(2)11-27-21)14(3)16(22(26)28-17)9-18(25)24-10-15-6-4-5-7-23-15/h4-8,11H,9-10H2,1-3H3,(H,24,25)	C22H20N2O4	376.405	6	1	81.43	4	5	0	1.169	3.95521	3.22	3.067	48.9984	107.2167	2.7784	337.732125877246
Cond-002903	NPD2993	NPD2993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.05739928	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(CC)cc4)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C26H28N4O4/c1-2-15-8-9-18-17(14-15)26(25(34)28-18)22-21(19(29-26)10-11-20(27)31)23(32)30(24(22)33)13-12-16-6-4-3-5-7-16/h3-9,14,19,21-22,29H,2,10-13H2,1H3,(H2,27,31)(H,28,34)/t19?,21-,22+,26?/m1/s1	C26H28N4O4	460.525	8	4	121.6	5	7	0	-2.7521	2.02519	3.44	3.516	70.4854	128.2998	3.433	427.453126096247
Cond-002904	NPD2994	NPD2994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6632285686	COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1c[nH]c2c1cccc2	InChI=1S/C22H21N3O3/c1-28-22(27)20(10-14-12-23-18-8-4-2-6-16(14)18)25-21(26)11-15-13-24-19-9-5-3-7-17(15)19/h2-9,12-13,20,23-24H,10-11H2,1H3,(H,25,26)/t20-/m0/s1	C22H21N3O3	375.42	6	3	86.98	4	8	0	-1.5243	3.17267000000001	3.22	3.562	38.7673	114.1417	2.8195	329.038659384852
Cond-002905	NPD2995	NPD2995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0278120223	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C27H26N2O7/c1-14(2)25(26(32)33)29-24(31)12-28-23(30)10-18-15(3)17-9-19-20(16-7-5-4-6-8-16)13-35-21(19)11-22(17)36-27(18)34/h4-9,11,13-14,25H,10,12H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t25-/m0/s1	C27H26N2O7	490.505	9	3	134.94	4	10	0	-0.7872	4.12437000000001	3.44	4.122	70.0954	137.0362	3.573	445.309811706663
Cond-002906	NPD2996	NPD2996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6641032002	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCc3ccncc3)c1C)c2	InChI=1S/C21H18N2O4/c1-12-11-26-18-9-19-16(7-15(12)18)13(2)17(21(25)27-19)8-20(24)23-10-14-3-5-22-6-4-14/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)	C21H18N2O4	362.379	6	1	81.43	4	5	0	0.527	3.46729	3.11	2.359	43.4963	102.2697	2.6375	320.43614125138
Cond-002907	NPD2997	NPD2997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5417739293	CCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OC)c(OC(C)C)cc1	InChI=1S/C27H31N3O4/c1-6-29-15-23(31)30-14-19(17-11-12-21(34-16(2)3)22(13-17)33-5)24-18-9-7-8-10-20(18)28-25(24)27(30,4)26(29)32/h7-13,16,19,28H,6,14-15H2,1-5H3/t19?,27-/m0/s1	C27H31N3O4	461.553	7	1	74.87	5	5	0	-1.5609	3.86919000000001	3.66	3.559	73.1863	133.496	3.5171	425.488809214747
Cond-002908	NPD2998	NPD2998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.1102906559	CCCC(NC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O)C(=O)O	InChI=1S/C24H27NO6/c1-3-6-18(23(27)28)25-22(26)10-9-14-13(2)16-11-17-15-7-4-5-8-19(15)30-21(17)12-20(16)31-24(14)29/h11-12,18H,3-10H2,1-2H3,(H,25,26)(H,27,28)	C24H27NO6	425.474	7	2	105.84	4	8	0	-1.2438	4.63186000000001	3.33	3.568	75.5518	121.1985	3.1638	395.080705723536
Cond-002909	NPD2999	NPD2999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.006923838	COc1cc(OC)c(cc1)c1cc2ccc(OCC(=O)N)cc2oc1=O	InChI=1S/C19H17NO6/c1-23-12-5-6-14(17(8-12)24-2)15-7-11-3-4-13(25-10-18(20)21)9-16(11)26-19(15)22/h3-9H,10H2,1-2H3,(H2,20,21)	C19H17NO6	355.341	7	2	97.08	3	6	0	-0.913200000000001	2.47057	2.78	2.111	43.6444	97.6334	2.5249	318.320782594201
Cond-002910	NPD3	NPD3	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.0395346638	CC(=O)C1CCC2C3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C31H42N2O4/c1-20(34)26-10-11-27-25-9-6-22-18-23(12-15-30(22,2)28(25)13-16-31(26,27)3)33-37-19-29(36)32-17-14-21-4-7-24(35)8-5-21/h4-5,7-8,18,25-28,35H,6,9-17,19H2,1-3H3,(H,32,36)/b33-23-/t25?,26?,27?,28?,30-,31+/m0/s1	C31H42N2O4	506.676	6	2	87.99	5	8	1	-0.108400000000005	5.90127000000001	4.21	6.506	118.5161	149.2125	4.0669	510.748904911648
Cond-002911	NPD300	NPD300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0186969379	COc1c(O)ccc(c1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2c(oc1=O)cccc2	InChI=1S/C26H18O8/c1-32-19-12-13(10-11-16(19)27)20(21-23(28)14-6-2-4-8-17(14)33-25(21)30)22-24(29)15-7-3-5-9-18(15)34-26(22)31/h2-12,20,27-29H,1H3	C26H18O8	458.416	8	3	122.52	5	4	0	-1.2101	5.31376	3.44	4.886	47.5193	126.9544	3.13960000000001	399.817615963424
Cond-002912	NPD3000	NPD3000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4381800198	COc1c2C(CNC(=S)Nc3ccccc3)N(C)CCc2cc2c1OCO2	InChI=1S/C20H23N3O3S/c1-23-9-8-13-10-16-18(26-12-25-16)19(24-2)17(13)15(23)11-21-20(27)22-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3,(H2,21,22,27)	C20H23N3O3S	385.48	6	2	87.08	4	6	0	0.2608	4.25478	2.89	3.265	58.5902	112.7104	2.8302	342.665090293119
Cond-002913	NPD3001	NPD3001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7312622203	CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)NCC1CC[C@@H](CC1)C(=O)O	InChI=1S/C30H36N4O6/c1-18(2)25(27(36)31-17-20-12-14-21(15-13-20)29(38)39)33-26(35)24(16-19-8-4-3-5-9-19)34-28(37)22-10-6-7-11-23(22)32-30(34)40/h3-11,18,20-21,24-25H,12-17H2,1-2H3,(H,31,36)(H,32,40)(H,33,35)(H,38,39)/t20?,21-,24-,25-/m0/s1	C30H36N4O6	548.63	10	4	148.4	4	12	2	-0.803100000000002	3.57878000000001	3.66	5.989	92.7439	153.1895	4.17960000000001	523.937518000836
Cond-002914	NPD3003	NPD3003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.964854955	COc1c(OC)c2c(cc1)c(cc(=O)o2)c1cc2c(oc1=O)cc(OCc1ccccc1Cl)cc2	InChI=1S/C27H19ClO7/c1-31-22-10-9-18-19(13-24(29)35-25(18)26(22)32-2)20-11-15-7-8-17(12-23(15)34-27(20)30)33-14-16-5-3-4-6-21(16)28/h3-13H,14H2,1-2H3	C27H19ClO7	490.889	7	0	80.29	5	6	1	0.753699999999999	5.27096	3.55	5.701	57.2838	131.42	3.3442	423.534441659163
Cond-002915	NPD3004	NPD3004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0429429725	CCC(NC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)O	InChI=1S/C18H21NO7/c1-5-12(17(21)22)19-15(20)8-11-9(2)16-13(25-4)6-10(24-3)7-14(16)26-18(11)23/h6-7,12H,5,8H2,1-4H3,(H,19,20)(H,21,22)	C18H21NO7	363.362	8	2	111.16	2	8	0	-0.7097	2.31777	2.56	1.107	65.6469	96.4915000000001	2.6373	338.344400771296
Cond-002916	NPD3005	NPD3005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.420470263	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O	InChI=1S/C19H25N3O6/c1-10(2)16(19(26)20-9-15(23)24)21-18(25)12-8-11-13(27-4)6-7-14(28-5)17(11)22(12)3/h6-8,10,16H,9H2,1-5H3,(H,20,26)(H,21,25)(H,23,24)/t16-/m0/s1	C19H25N3O6	391.418	9	3	118.89	2	10	0	-1.2835	2.29057	2.56	0.74	67.4812	109.1057	2.9191	357.943679112935
Cond-002917	NPD3006	NPD3006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.982242492	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCOC)c1cc(OC)ccc1	InChI=1S/C30H28N4O5/c1-38-15-14-31-28(35)21-11-4-6-13-24(21)34-29(36)25-17-22-20-10-3-5-12-23(20)32-26(22)27(33(25)30(34)37)18-8-7-9-19(16-18)39-2/h3-13,16,25,27,32H,14-15,17H2,1-2H3,(H,31,35)/t25-,27?/m0/s1	C30H28N4O5	524.567	9	2	103.97	6	8	0	-2.0319	3.56948000000001	3.77	4.468	61.2677	148.7897	3.8177	463.361456497075
Cond-002918	NPD3007	NPD3007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1645214135	COc1c(cccc1)C1CN2C(=O)CN(C(C)C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C25H27N3O3/c1-15(2)27-14-21(29)28-13-18(16-9-6-8-12-20(16)31-4)22-17-10-5-7-11-19(17)26-23(22)25(28,3)24(27)30/h5-12,15,18,26H,13-14H2,1-4H3/t18?,25-/m0/s1	C25H27N3O3	417.5	6	1	65.64	5	3	0	-1.7595	3.47049000000001	3.55	3.791	61.5767	122.327	3.1766	382.106613262452
Cond-002919	NPD3008	NPD3008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.767079232	COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c(C)c(OC(C)C(=O)C)ccc12	InChI=1S/C24H20O7/c1-12-19(29-14(3)13(2)25)9-8-16-17(11-21(26)30-22(12)16)18-10-15-6-5-7-20(28-4)23(15)31-24(18)27/h5-11,14H,1-4H3	C24H20O7	420.411	7	0	88.13	4	5	0	0.3319	4.30928	3.33	3.848	65.1342	116.578	2.9937	384.96479611353
Cond-002920	NPD3009	NPD3009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6779481103	COc1cc(c(OC)cc1)c1cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2oc1=O	InChI=1S/C26H22O8/c1-29-16-10-11-20(30-2)18(13-16)19-12-15-8-9-17(14-23(15)34-25(19)27)33-26(28)24-21(31-3)6-5-7-22(24)32-4/h5-14H,1-4H3	C26H22O8	462.448	8	0	89.52	4	8	1	-0.1172	4.84287	3.44	5.457	50.9451	127.4485	3.2912	414.810533365024
Cond-002921	NPD301	NPD301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0609831985	Cc1c(c(=O)c2c(o1)cc(OCC(=O)ON1C(=O)CCC1=O)cc2)c1cc2c(OCCCO2)cc1	InChI=1S/C25H21NO9/c1-14-24(15-3-6-18-20(11-15)32-10-2-9-31-18)25(30)17-5-4-16(12-19(17)34-14)33-13-23(29)35-26-21(27)7-8-22(26)28/h3-6,11-12H,2,7-10,13H2,1H3	C25H21NO9	479.436	10	0	117.67	5	6	0	-1.8617	2.71447	3.11	1.866	70.6522	123.787	3.2432	418.481535647885
Cond-002922	NPD3010	NPD3010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.9623215539	Cc1ccc(cc1)C1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H27N3O2/c1-19-12-14-21(15-13-19)23-17-32-25(33)18-31(16-20-8-4-3-5-9-20)28(34)29(32,2)27-26(23)22-10-6-7-11-24(22)30-27/h3-15,23,30H,16-18H2,1-2H3/t23?,29-/m0/s1	C29H27N3O2	449.544	5	1	56.41	6	3	1	-1.1063	3.94221000000001	4.1	7.427	49.2799	133.669	3.44390000000001	411.334490262158
Cond-002923	NPD3011	NPD3011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9034165086	COc1c(OC)cc(CN2COc3c(C2)cc2c(C)c(C)c(=O)oc2c3C)cc1	InChI=1S/C23H25NO5/c1-13-14(2)23(25)29-22-15(3)21-17(9-18(13)22)11-24(12-28-21)10-16-6-7-19(26-4)20(8-16)27-5/h6-9H,10-12H2,1-5H3	C23H25NO5	395.448	6	0	57.23	4	4	0	1.6957	4.22479	3.33	3.262	63.4834	113.33	2.9642	368.994494397108
Cond-002924	NPD3012	NPD3012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.183741372	COc1c(Cl)cc2c(oc(=O)c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c2C)c1	InChI=1S/C19H22ClN3O7/c1-9-10-6-12(20)15(29-2)8-14(10)30-18(27)11(9)7-16(24)23-13(17(25)26)4-3-5-22-19(21)28/h6,8,13H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H3,21,22,28)/t13-/m0/s1	C19H22ClN3O7	439.847	10	5	157.05	2	11	1	-0.868999999999998	2.00107	2.34	0.204	75.6144	111.4786	3.0572	390.20851488313
Cond-002925	NPD3013	NPD3013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	25.1945237861	[C@H]1(C)[C@H](OC(=O)CCC(=O)NC(CS)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C22H33NO9S/c1-11-4-5-14-12(2)19(28-17(25)7-6-16(24)23-15(10-33)18(26)27)29-20-22(14)13(11)8-9-21(3,30-20)31-32-22/h11-15,19-20,33H,4-10H2,1-3H3,(H,23,24)(H,26,27)/t11-,12-,13+,14+,15?,19-,20-,21+,22?/m1/s1	C22H33NO9S	487.564	10	2	168.42	3	9	0	0.178399999999998	2.25089	2.67	2.872	105.8162	118.8165	3.4366	440.350734135086
Cond-002926	NPD3014	NPD3014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.2670246522	COc1c(C)c2c(cc1)c(C)c(CCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)c1ccccc1)c(=O)o2	InChI=1S/C28H32N2O7/c1-15(2)23(27(33)34)30-26(32)24(18-9-7-6-8-10-18)29-22(31)14-12-20-16(3)19-11-13-21(36-5)17(4)25(19)37-28(20)35/h6-11,13,15,23-24H,12,14H2,1-5H3,(H,29,31)(H,30,32)(H,33,34)/t23-,24+/m0/s1	C28H32N2O7	508.563	9	3	131.03	3	12	1	0.0641999999999994	4.04519000000001	3.55	4.312	84.9204	141.6182	3.8655	488.49871373413
Cond-002927	NPD3015	NPD3015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.8786262903	Cc1ccc(o1)C1CN2C(c3c1c1ccccc1[nH]3)c1c(cccc1)C2=O	InChI=1S/C23H18N2O2/c1-13-10-11-19(27-13)17-12-25-22(14-6-2-3-7-15(14)23(25)26)21-20(17)16-8-4-5-9-18(16)24-21/h2-11,17,22,24H,12H2,1H3	C23H18N2O2	354.401	4	1	49.24	6	1	1	-1.1147	4.08702000000001	3.55	5.307	29.006	106.635	2.5847	301.834739700391
Cond-002928	NPD3016	NPD3016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.2295420691	CCCCN1C(=O)N=C(O)/C(=C/c2c(C)c3c(oc2=O)c2c4N(CCCc4c3)CCC2)/C1=O	InChI=1S/C25H27N3O5/c1-3-4-11-28-23(30)19(22(29)26-25(28)32)13-18-14(2)17-12-15-7-5-9-27-10-6-8-16(20(15)27)21(17)33-24(18)31/h12-13H,3-11H2,1-2H3,(H,26,29,32)/b19-13-	C25H27N3O5	449.499	8	1	99.51	5	4	0	-0.995899999999999	4.17285000000001	3.33	2.961	93.7417	129.5738	3.294	421.487066663575
Cond-002929	NPD3017	NPD3017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.9430782796	COc1ccc(cc1)N1COc2c(C1)cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C21H21NO4/c1-12-13(2)21(23)26-20-14(3)19-15(9-18(12)20)10-22(11-25-19)16-5-7-17(24-4)8-6-16/h5-9H,10-11H2,1-4H3	C21H21NO4	351.396	5	0	48	4	2	0	1.7359	5.08718	3.22	3.763	51.4554	104.894	2.6237	325.612298444813
Cond-002930	NPD3018	NPD3018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.6913131212	CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(cc3)C(=O)OCC)c(C)oc2c1	InChI=1S/C23H22O8/c1-4-27-20(24)13-29-17-10-11-18-19(12-17)30-14(3)22(21(18)25)31-16-8-6-15(7-9-16)23(26)28-5-2/h6-12H,4-5,13H2,1-3H3	C23H22O8	426.416	8	0	97.36	3	10	0	-0.391000000000001	3.58538000000001	3.11	4.578	62.0362	112.0065	3.0631	391.451955589824
Cond-002931	NPD3019	NPD3019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.643397608	C[C@H](NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C20H23NO7/c1-10-7-16(23)27-18-12-5-6-20(3,4)28-13(12)8-14(17(10)18)26-9-15(22)21-11(2)19(24)25/h7-8,11H,5-6,9H2,1-4H3,(H,21,22)(H,24,25)/t11-/m0/s1	C20H23NO7	389.399	8	2	111.16	3	6	0	0.138099999999999	3.13336	2.78	1.821	75.5849	105.7945	2.8105	360.57991132223
Cond-002932	NPD302	NPD302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.8910891089	OCC[NH2+]CCO.CCc1cc2c(oc(C)c(c2=O)c2cc3c(OCCO3)cc2)cc1OCC(=O)[O-]	InChI=1S/C22H20O7.C4H11NO2/c1-3-13-8-15-18(10-17(13)28-11-20(23)24)29-12(2)21(22(15)25)14-4-5-16-19(9-14)27-7-6-26-16;6-3-1-5-2-4-7/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,23,24);5-7H,1-4H2	C26H31NO9	501.526	7	0	94.12	4	5	0	-1.4046	3.70875	3.11	2.677	55.2595	109.6705	2.7764	354.327514912996
Cond-002933	NPD3020	NPD3020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4472818347	COc1cccc(c1)N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C23H23NO4/c1-14-21-15(12-24(13-27-21)16-6-5-7-17(11-16)26-2)10-20-18-8-3-4-9-19(18)23(25)28-22(14)20/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3	C23H23NO4	377.433	5	0	48	5	2	0	0.000700000000000447	5.62138	3.44	4.351	56.0052	112.014	2.7969	347.847808995747
Cond-002934	NPD3021	NPD3021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.348903439	CCCCCCc1c(C)c2cc(Cl)c(OCC(=O)N3Cc4c(CC3C(=O)OC)c3ccccc3[nH]4)cc2oc1=O	InChI=1S/C31H33ClN2O6/c1-4-5-6-7-10-19-18(2)21-13-23(32)28(15-27(21)40-30(19)36)39-17-29(35)34-16-25-22(14-26(34)31(37)38-3)20-11-8-9-12-24(20)33-25/h8-9,11-13,15,26,33H,4-7,10,14,16-17H2,1-3H3	C31H33ClN2O6	565.057	8	1	97.93	5	11	2	-1.1495	6.12526000000001	3.88	6.401	89.5097	157.251	4.1347	511.194591280003
Cond-002935	NPD3022	NPD3022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9188395871	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCC1CCCO1	InChI=1S/C24H23N3O3/c28-23(25-13-14-6-5-11-30-14)20-12-18-15-7-3-4-10-19(15)26-21(18)22-16-8-1-2-9-17(16)24(29)27(20)22/h1-4,7-10,14,20,22,26H,5-6,11-13H2,(H,25,28)/t14?,20-,22?/m0/s1	C24H23N3O3	401.458	6	2	74.43	6	4	0	-2.5924	2.73238	3.44	3.682	50.0337	115.2402	2.9271	352.454169935786
Cond-002936	NPD3024	NPD3024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.137860183	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)NC1CCCC1	InChI=1S/C29H32N4O3/c1-16(2)24(28(35)30-17-9-3-4-10-17)32-27(34)23-15-21-18-11-7-8-14-22(18)31-25(21)26-19-12-5-6-13-20(19)29(36)33(23)26/h5-8,11-14,16-17,23-24,26,31H,3-4,9-10,15H2,1-2H3,(H,30,35)(H,32,34)/t23-,24-,26?/m0/s1	C29H32N4O3	484.589	7	3	94.3	6	7	0	-3.2565	3.42599000000001	3.88	4.941	69.8455	140.4684	3.6884	447.294394572486
Cond-002937	NPD3025	NPD3025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0516000992	COc1ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1C	InChI=1S/C25H26N2O4/c1-15-18-8-10-22(30-3)16(2)24(18)31-25(29)19(15)9-11-23(28)26-13-12-17-14-27-21-7-5-4-6-20(17)21/h4-8,10,14,27H,9,11-13H2,1-3H3,(H,26,28)	C25H26N2O4	418.485	6	2	80.42	4	8	0	0.526899999999999	5.06688000000001	3.55	3.853	61.8102	127.1517	3.2011	389.620079754847
Cond-002938	NPD3026	NPD3026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7711425613	[C@@H]12C(NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O)C(C)O	InChI=1S/C24H24ClN3O4/c1-12-10-15(25)11-16-19(12)26-23(32)24(16)18-17(20(27-24)13(2)29)21(30)28(22(18)31)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,17-18,20,27,29H,8-9H2,1-2H3,(H,26,32)/t13?,17-,18-,20?,24?/m0/s1	C24H24ClN3O4	453.918	7	3	98.74	5	4	0	-1.2441	2.25951	3.22	3.202	68.2115	120.8242	3.2168	399.71192310758
Cond-002939	NPD3027	NPD3027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.648925307	OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O	InChI=1S/C28H24N4O6/c33-18-11-9-16(10-12-18)13-23(27(36)37)30-25(34)24(14-17-15-29-21-7-3-1-5-19(17)21)32-26(35)20-6-2-4-8-22(20)31-28(32)38/h1-12,15,23-24,29,33H,13-14H2,(H,30,34)(H,31,38)(H,36,37)/t23-,24-/m0/s1	C28H24N4O6	512.513	10	5	155.32	5	9	0	-2.1427	3.35307000000001	3.44	4.526	52.8208	145.0346	3.66020000000001	447.279713945902
Cond-002940	NPD3028	NPD3028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.472735783	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)C(=O)[C@]34C)c2c1	InChI=1S/C23H28N4O6S/c1-12(19(28)25-17(20(29)30)8-10-34-4)27-21(31)23(2)18-14(7-9-26(23)22(27)32)15-11-13(33-3)5-6-16(15)24-18/h5-6,11-12,17,24H,7-10H2,1-4H3,(H,25,28)(H,29,30)/t12-,17-,23-/m0/s1	C23H28N4O6S	488.557	10	3	157.34	4	9	0	-1.5226	1.73908	2.78	1.252	91.0185	130.8205	3.4858	429.284025779769
Cond-002941	NPD3029	NPD3029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.436959717	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCCN(CC)CC)c(=O)cc12)NC(=O)C	InChI=1S/C28H39N3O5/c1-7-31(8-2)15-9-14-29-23-13-11-20-21(17-24(23)33)22(30-18(3)32)12-10-19-16-25(34-4)27(35-5)28(36-6)26(19)20/h11,13,16-17,22H,7-10,12,14-15H2,1-6H3,(H,29,33)(H,30,32)/t22-/m0/s1	C28H39N3O5	497.626	8	2	89.13	3	12	1	-0.828000000000001	3.16476000000001	3.66	2.5	117.6174	143.2224	3.9769	500.724396643575
Cond-002942	NPD303	NPD303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.7347233211	COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2ccccc2)cc1	InChI=1S/C30H30N4O5/c1-39-24-12-10-20(11-13-24)15-30(27(36)31-29(38)34(28(30)37)23-6-3-2-4-7-23)19-32-16-21-14-22(18-32)25-8-5-9-26(35)33(25)17-21/h2-13,21-22H,14-19H2,1H3,(H,31,36,38)/t21-,22+,30?/m1/s1	C30H30N4O5	526.583	9	1	99.26	6	6	0	-1.583	3.35446	3.77	3.312	93.912	146.6977	3.8607	487.797915197875
Cond-002943	NPD3030	NPD3030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1948045595	CCC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@H](C)C(=O)O	InChI=1S/C18H24N4O5/c1-4-10(2)15(16(24)19-11(3)17(25)26)21-18(27)22-9-14(23)20-12-7-5-6-8-13(12)22/h5-8,10-11,15H,4,9H2,1-3H3,(H,19,24)(H,20,23)(H,21,27)(H,25,26)/t10?,11-,15+/m1/s1	C18H24N4O5	376.407	9	4	131.33	2	9	0	-2.1519	2.46687	2.45	1.949	67.5317	105.009	2.8193	353.754227994674
Cond-002944	NPD3031	NPD3031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0725826254	CCCCc1ccc(cc1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C25H23NO3/c1-2-3-6-17-9-11-18(12-10-17)26-15-22-23(28-16-26)14-13-20-19-7-4-5-8-21(19)25(27)29-24(20)22/h4-5,7-14H,2-3,6,15-16H2,1H3	C25H23NO3	385.455	4	0	38.77	5	4	1	-0.677199999999999	6.84597	3.77	8.085	36.3422	121.53	2.934	357.476634145319
Cond-002945	NPD3032	NPD3032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6963707616	CCCCc1cc(=O)oc2cc(OC(=O)C(CCC)NS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C25H29NO6S/c1-4-6-8-18-15-24(27)32-23-16-19(11-14-21(18)23)31-25(28)22(7-5-2)26-33(29,30)20-12-9-17(3)10-13-20/h9-16,22,26H,4-8H2,1-3H3	C25H29NO6S	471.566	7	1	107.15	3	11	2	-1.4553	5.32568000000001	3.33	6.655	69.8825	124.2517	3.5338	440.605714407002
Cond-002946	NPD3033	NPD3033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9154317329	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)O	InChI=1S/C22H29N3O6/c1-13(2)19(21(28)24-10-4-5-17(24)22(29)30)23-20(27)14-11-18(26)25(12-14)15-6-8-16(31-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,23,27)(H,29,30)/t14?,17?,19-/m0/s1	C22H29N3O6	431.482	9	2	116.25	3	9	0	-2.6	2.02548	2.89	1.046	81.1914	116.2605	3.2332	408.375174289736
Cond-002947	NPD3034	NPD3034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.6766397037	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Br)cc1)C(=O)CN(CCCc1ccccc1)C2=O	InChI=1S/C30H28BrN3O2/c1-30-28-27(23-11-5-6-12-25(23)32-28)24(21-13-15-22(31)16-14-21)18-34(30)26(35)19-33(29(30)36)17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16,24,32H,7,10,17-19H2,1H3/t24?,30-/m0/s1	C30H28BrN3O2	542.466	5	1	56.41	6	5	1	-1.0851	5.44879000000001	4.1	7.832	60.1539	147.969	3.7598	447.914093865592
Cond-002948	NPD3035	NPD3035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.4221582162	COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)c(=O)oc2c1OC	InChI=1S/C21H26N2O8/c1-10(2)17(20(26)27)23-16(25)9-22-15(24)8-13-11(3)12-6-7-14(29-4)19(30-5)18(12)31-21(13)28/h6-7,10,17H,8-9H2,1-5H3,(H,22,24)(H,23,25)(H,26,27)/t17-/m0/s1	C21H26N2O8	434.44	10	3	140.26	2	11	1	-0.7367	1.67997	2.67	0.576	83.1079	114.0482	3.1755	407.382882856824
Cond-002949	NPD3036	NPD3036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.5931866713	Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C16H15ClN2O7/c1-7-8-2-10(17)11(20)4-12(8)26-16(25)9(7)3-13(21)18-5-14(22)19-6-15(23)24/h2,4,20H,3,5-6H2,1H3,(H,18,21)(H,19,22)(H,23,24)	C16H15ClN2O7	382.752	9	4	142.03	2	8	0	-0.9667	1.17988	2.12	-0.584	63.6279	94.922	2.5347	327.323800797362
Cond-002950	NPD3037	NPD3037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3152879607	COc1cc(c(OC)cc1)c1c(C)c2ccc([O-])c(C[NH+](C)Cc3ccccc3)c2oc1=O	InChI=1S/C27H27NO5/c1-17-20-11-12-23(29)22(16-28(2)15-18-8-6-5-7-9-18)26(20)33-27(30)25(17)21-14-19(31-3)10-13-24(21)32-4/h5-14,29H,15-16H2,1-4H3	C27H27NO5	445.507	6	1	72.26	4	7	1	-1.5886	3.93107	3.77	5.291	49.4249	129.7407	3.3988	419.369056798175
Cond-002951	NPD3038	NPD3038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.790839843	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N[C@@H](C)C(=O)O)C2=O	InChI=1S/C20H25N3O5/c1-13(19(26)27)21-17(24)9-3-2-6-10-22-18(25)16-11-14-7-4-5-8-15(14)12-23(16)20(22)28/h4-5,7-8,13,16H,2-3,6,9-12H2,1H3,(H,21,24)(H,26,27)/t13-,16-/m0/s1	C20H25N3O5	387.43	8	2	107.02	3	9	0	-2.6323	1.41959	2.78	2.126	69.663	102.7815	2.8927	364.992978337441
Cond-002952	NPD3039	NPD3039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4721317015	CSCC[C@@H](NC(=O)[C@H](CC(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C19H25N3O5S/c1-11(2)10-15(16(23)20-14(18(25)26)8-9-28-3)22-17(24)12-6-4-5-7-13(12)21-19(22)27/h4-7,11,14-15H,8-10H2,1-3H3,(H,20,23)(H,21,27)(H,25,26)/t14-,15+/m1/s1	C19H25N3O5S	407.484	8	3	141.11	2	10	0	-0.695000000000001	3.24548	2.56	3.234	76.0241	110.9247	3.0239	378.562476469974
Cond-002953	NPD304	NPD304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5537140872	COc1cc2c(cc1OC)C1C/C(=N\NC(=S)N)/C3=C(CCCC3=O)N1CC2	InChI=1S/C20H24N4O3S/c1-26-17-8-11-6-7-24-14-4-3-5-16(25)19(14)13(22-23-20(21)28)10-15(24)12(11)9-18(17)27-2/h8-9,15H,3-7,10H2,1-2H3,(H3,21,23,28)/b22-13+	C20H24N4O3S	400.495	7	3	121.27	4	4	0	-0.109000000000001	2.02198	2.78	2.209	84.8621	112.7491	2.93	364.561850501286
Cond-002954	NPD3040	NPD3040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8482222003	Oc1nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c(=O)n1c1cc(ccc1)C(F)(F)F	InChI=1S/C22H17F3N4O3/c23-22(24,25)11-4-3-5-12(10-11)29-20(31)16(19(30)28-21(29)32)18-17-14(8-9-26-18)13-6-1-2-7-15(13)27-17/h1-7,10,18,26-27,30H,8-9H2,(H,28,32)	C22H17F3N4O3	442.391	7	4	100.95	5	3	0	0.4413	3.92985	2.78	4.502	50.9326	115.5243	2.8638	356.781637443138
Cond-002955	NPD3041	NPD3041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.8776401864	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C28H34N4O6S/c1-4-17(2)23(25(34)29-21(27(36)37)14-15-39-3)31-24(33)22(16-18-10-6-5-7-11-18)32-26(35)19-12-8-9-13-20(19)30-28(32)38/h5-13,17,21-23H,4,14-16H2,1-3H3,(H,29,34)(H,30,38)(H,31,33)(H,36,37)/t17?,21-,22-,23-/m0/s1	C28H34N4O6S	554.658	10	4	173.7	3	15	2	-1.8031	3.28418	3.33	6.573	91.3147	154.2785	4.16990000000001	520.211031507503
Cond-002956	NPD3042	NPD3042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	70.7070707071	CCCCOCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1ccc(C)cc1	InChI=1S/C26H29N3O2/c1-3-4-15-31-16-7-14-27-26(30)23-17-21-20-8-5-6-9-22(20)28-25(21)24(29-23)19-12-10-18(2)11-13-19/h5-6,8-13,17,28H,3-4,7,14-16H2,1-2H3,(H,27,30)	C26H29N3O2	415.527	5	2	67.01	4	10	1	-1.3452	5.69299000000001	3.77	6.709	46.6328	131.7727	3.3244	389.432371187758
Cond-002957	NPD3043	NPD3043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.02465848	COc1ccc(cc1)n1c(=O)n(C)c(=O)c(C2NCCc3c2[nH]c2c3cccc2)c1O	InChI=1S/C23H22N4O4/c1-26-21(28)18(22(29)27(23(26)30)13-7-9-14(31-2)10-8-13)20-19-16(11-12-24-20)15-5-3-4-6-17(15)25-19/h3-10,20,24-25,29H,11-12H2,1-2H3	C23H22N4O4	418.445	8	3	97.9	5	3	0	-1.1595	3.50086	3.11	3.104	56.4756	120.1325	3.0103	364.665172218647
Cond-002958	NPD3044	NPD3044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6959390617	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCN1CCOCC1)c1ccc(C)cc1	InChI=1S/C34H35N5O4/c1-22-11-13-23(14-12-22)31-30-26(24-7-2-4-9-27(24)36-30)21-29-33(41)39(34(42)38(29)31)28-10-5-3-8-25(28)32(40)35-15-6-16-37-17-19-43-20-18-37/h2-5,7-14,29,31,36H,6,15-21H2,1H3,(H,35,40)/t29-,31?/m0/s1	C34H35N5O4	577.673	9	2	97.98	7	8	1	-1.6688	3.66480000000001	4.21	5.869	78.4157	165.8777	4.3138	522.395469807347
Cond-002959	NPD3045	NPD3045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	74.4488649661	CCc1ccc(cc1)C1CN2C(=O)CN(CCc3ccc(OC)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H33N3O3/c1-4-21-9-13-23(14-10-21)26-19-35-28(36)20-34(18-17-22-11-15-24(38-3)16-12-22)31(37)32(35,2)30-29(26)25-7-5-6-8-27(25)33-30/h5-16,26,33H,4,17-20H2,1-3H3/t26?,32-/m0/s1	C32H33N3O3	507.623	6	1	65.64	6	6	1	-1.2376	4.86719000000001	4.32	7.277	65.8959	151.582	3.9253	472.01267084032
Cond-002960	NPD3046	NPD3046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1525784157	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCCCO	InChI=1S/C25H27N3O4/c1-31-16-10-11-22(32-2)19(14-16)24-23-18(17-8-4-5-9-20(17)27-23)15-21(28-24)25(30)26-12-6-3-7-13-29/h4-5,8-11,14-15,27,29H,3,6-7,12-13H2,1-2H3,(H,26,30)	C25H27N3O4	433.5	7	3	96.47	4	10	0	-2.4599	4.63797000000001	3.44	3.712	46.0969	131.8295	3.3009	389.716839963014
Cond-002961	NPD3047	NPD3047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6023375782	Cc1coc2c1cc1c(C)c(CC(=O)N3CCC(CC3)C(=O)N)c(=O)oc1c2C	InChI=1S/C22H24N2O5/c1-11-10-28-19-13(3)20-16(8-15(11)19)12(2)17(22(27)29-20)9-18(25)24-6-4-14(5-7-24)21(23)26/h8,10,14H,4-7,9H2,1-3H3,(H2,23,26)	C22H24N2O5	396.436	7	2	102.84	4	4	0	-0.174900000000002	2.84731	3.11	0.922	70.5969	109.0804	2.9231	362.695269979408
Cond-002962	NPD3048	NPD3048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.6385725322	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O	InChI=1S/C25H23N3O7/c1-12-2-4-15-14(8-12)25(24(33)26-15)21-20(16(27-25)5-7-19(29)30)22(31)28(23(21)32)10-13-3-6-17-18(9-13)35-11-34-17/h2-4,6,8-9,16,20-21,27H,5,7,10-11H2,1H3,(H,26,33)(H,29,30)/t16?,20-,21+,25?/m1/s1	C25H23N3O7	477.466	10	3	134.27	6	5	0	-2.5803	1.9376	3.11	1.301	68.4351	123.5642	3.2598	413.174602663097
Cond-002963	NPD305	NPD305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7156711029	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1ccc(Br)cc1)(C(C)C)C2=O	InChI=1S/C20H27BrN2O/c1-13(2)19-9-22-11-20(14(3)4,18(19)24)12-23(10-19)17(22)15-5-7-16(21)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3/t17?,19-,20+	C20H27BrN2O	391.345	3	0	23.55	1	3	0	1.2362	3.83919	3.22	4.1	75.544	102.043	2.7535	333.671847706196
Cond-002964	NPD3050	NPD3050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8419186447	[C@@H]12CCC3=C/C(=N/OCC(=O)NC(C(C)O)C(=O)O)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C26H40N2O6/c1-15(29)22(23(31)32)27-21(30)14-34-28-17-7-10-24(2)16(13-17)5-6-18-19(24)8-11-25(3)20(18)9-12-26(25,4)33/h13,15,18-20,22,29,33H,5-12,14H2,1-4H3,(H,27,30)(H,31,32)/b28-17+/t15?,18-,19?,20?,22?,24+,25+,26+/m1/s1	C26H40N2O6	476.606	8	4	128.45	4	7	0	-0.678699999999995	3.33277000000001	3.44	3.298	125.3989	132.0921	3.7174	473.015269986636
Cond-002965	NPD3051	NPD3051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5441620199	CC(=O)NCSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C23H24N4O6S/c1-14(28)24-13-34-12-18(22(31)32)25-20(29)19(11-15-7-3-2-4-8-15)27-21(30)16-9-5-6-10-17(16)26-23(27)33/h2-10,18-19H,11-13H2,1H3,(H,24,28)(H,25,29)(H,26,33)(H,31,32)/t18-,19-/m0/s1	C23H24N4O6S	484.525	10	4	173.7	3	12	1	-1.3416	1.82698	2.78	4.37	71.6963	131.0355	3.4654	433.731108378169
Cond-002966	NPD3052	NPD3052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.3381347301	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(C(C)C)c1=O	InChI=1S/C20H24N4O3/c1-4-23-10-9-13-12-7-5-6-8-14(12)21-16(13)17(23)15-18(25)22-20(27)24(11(2)3)19(15)26/h5-8,11,17,21,25H,4,9-10H2,1-3H3,(H,22,27)	C20H24N4O3	368.43	7	3	92.16	4	3	0	0.181700000000001	2.66116	2.89	2.601	69.2818	108.1746	2.7665	335.152826443685
Cond-002967	NPD3054	NPD3054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8231574788	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@H](CCSC)C(=O)O	InChI=1S/C18H22N2O4S2/c1-18(2)13(14(21)19-12(17(23)24)8-9-25-3)20-15(22)10-6-4-5-7-11(10)16(20)26-18/h4-7,12-13,16H,8-9H2,1-3H3,(H,19,21)(H,23,24)/t12-,13-,16?/m1/s1	C18H22N2O4S2	394.508	6	2	137.31	3	7	0	-0.0902000000000001	2.25029	2.56	3.152	74.6009	105.841	2.8224	350.268528992979
Cond-002968	NPD3056	NPD3056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0797491917	COc1cc(OC)c(Cl)cc1N1COc2c(C1)cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C23H22ClNO5/c1-12-21-13(7-16-14-5-4-6-15(14)23(26)30-22(12)16)10-25(11-29-21)18-8-17(24)19(27-2)9-20(18)28-3/h7-9H,4-6,10-11H2,1-3H3	C23H22ClNO5	427.877	6	0	57.23	5	3	0	0.9812	5.89328	3.22	3.434	66.025	118.959	2.978	371.849103466741
Cond-002969	NPD3057	NPD3057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.301393077	CC1Oc2ccccc2C=C1/C=C/1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O	InChI=1S/C24H16O6/c1-14-16(11-15-5-2-3-6-19(15)28-14)12-22-23(25)18-9-8-17(13-21(18)30-22)29-24(26)20-7-4-10-27-20/h2-14H,1H3/b22-12-	C24H16O6	400.38	6	0	74.97	5	4	1	-0.5231	5.53575	3.44	5.497	44.5364	113.4705	2.7834	350.281652011368
Cond-002970	NPD3058	NPD3058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.5138933885	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(CC)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OC)ccc1	InChI=1S/C31H29N3O4/c1-3-18-9-7-13-22-26(18)33-29(37)31(22)30(21-12-4-5-14-23(21)32-28(30)36)25(24-15-8-16-34(24)31)27(35)19-10-6-11-20(17-19)38-2/h4-7,9-14,17,24-25H,3,8,15-16H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,30+,31+/m0/s1	C31H29N3O4	507.58	7	2	87.74	7	4	0	-2.6793	5.36517000000001	4.1	4.405	63.2717	146.3709	3.7345	462.050454214214
Cond-002971	NPD3059	NPD3059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.2104715415	Cc1c(CC(=O)N2CCC(CC2)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H23NO6/c1-15-18-11-20-21(16-5-3-2-4-6-16)14-32-22(20)13-23(18)33-26(31)19(15)12-24(28)27-9-7-17(8-10-27)25(29)30/h2-6,11,13-14,17H,7-10,12H2,1H3,(H,29,30)	C26H23NO6	445.464	7	1	97.05	5	5	0	-1.0639	5.10597000000001	3.55	4.445	59.3705	126.5618	3.208	398.506840172069
Cond-002972	NPD306	NPD306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4874981506	CCCCCCCCCCCCCCCCCOc1cc2c(cc1)c(O)c(cc2)C(=O)O	InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-24-18-20-25-23(22-24)17-19-26(27(25)29)28(30)31/h17-20,22,29H,2-16,21H2,1H3,(H,30,31)	C28H42O4	442.631	4	2	66.76	2	18	2	-5.1113	8.46219	4.1	11.599	65.6879	136.0176	3.8134	465.673265420914
Cond-002973	NPD3060	NPD3060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7399773164	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(C2=O)c1ccccc1	InChI=1S/C28H21ClN4O3/c29-16-10-11-21-19(13-16)28(27(36)31-21)24-23(25(34)33(26(24)35)17-6-2-1-3-7-17)22(32-28)12-15-14-30-20-9-5-4-8-18(15)20/h1-11,13-14,22-24,30,32H,12H2,(H,31,36)/t22?,23-,24+,28?/m1/s1	C28H21ClN4O3	496.944	7	3	94.3	7	3	0	-2.0519	4.98697	3.66	4.481	49.8496	141.4724	3.43230000000001	414.043642913852
Cond-002974	NPD3061	NPD3061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9053505121	COc1ccc(cc1)N1CC[NH+](Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1	InChI=1S/C22H24N2O4/c1-15-20(25)8-7-19-16(13-21(26)28-22(15)19)14-23-9-11-24(12-10-23)17-3-5-18(27-2)6-4-17/h3-8,13,25H,9-12,14H2,1-2H3	C22H24N2O4	380.437	6	1	66.27	4	4	0	-1.5022	2.90838	3.22	2.392	54.592	112.0857	2.8644	353.905043278847
Cond-002975	NPD3062	NPD3062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4063949231	CCC(NC(=O)Cc1c(C)c2c(oc1=O)c(C)c(OC)cc2)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)O	InChI=1S/C27H29ClN2O7/c1-5-20(25(32)30-21(26(33)34)12-16-6-8-17(28)9-7-16)29-23(31)13-19-14(2)18-10-11-22(36-4)15(3)24(18)37-27(19)35/h6-11,20-21H,5,12-13H2,1-4H3,(H,29,31)(H,30,32)(H,33,34)	C27H29ClN2O7	528.981	9	3	131.03	3	12	1	-0.00110000000000121	4.27359	3.33	3.667	85.0785	142.9932	3.847	486.413796878697
Cond-002976	NPD3063	NPD3063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.704120218	Cc1ccc(Cl)cc1N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C22H16ClNO3/c1-13-6-7-14(23)10-19(13)24-11-18-20(26-12-24)9-8-16-15-4-2-3-5-17(15)22(25)27-21(16)18/h2-10H,11-12H2,1H3	C22H16ClNO3	377.82	4	0	38.77	5	1	1	1.1714	6.2395	3.33	6.052	30.8726	111.834	2.6337	320.799748038152
Cond-002977	NPD3064	NPD3064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.154126722	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1cc(Br)ccc1O)C2O	InChI=1S/C18H25BrN2O2/c1-3-17-8-20-10-18(4-2,16(17)23)11-21(9-17)15(20)13-7-12(19)5-6-14(13)22/h5-7,15-16,22-23H,3-4,8-11H2,1-2H3/t15?,16?,17-,18+	C18H25BrN2O2	381.307	4	2	46.94	1	3	0	-0.003000000000001	3.036	2.89	2.926	70.8905	95.0558000000001	2.5734	310.506563855824
Cond-002978	NPD3065	NPD3065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9657551	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)NCCc1cc(F)ccc1	InChI=1S/C32H31FN4O3/c1-18(2)27(31(39)34-15-14-19-8-7-9-20(33)16-19)36-30(38)26-17-24-21-10-5-6-13-25(21)35-28(24)29-22-11-3-4-12-23(22)32(40)37(26)29/h3-13,16,18,26-27,29,35H,14-15,17H2,1-2H3,(H,34,39)(H,36,38)/t26-,27-,29?/m0/s1	C32H31FN4O3	538.612	7	3	94.3	6	9	1	-1.3072	3.86519000000001	4.1	6.485	64.8377	153.1834	3.99980000000001	486.440531197993
Cond-002979	NPD3066	NPD3066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.5420375865	COc1ccc(Oc2c(C)oc3cc(OCC(=C)C)ccc3c2=O)cc1	InChI=1S/C21H20O5/c1-13(2)12-24-17-9-10-18-19(11-17)25-14(3)21(20(18)22)26-16-7-5-15(23-4)6-8-16/h5-11H,1,12H2,2-4H3	C21H20O5	352.38	5	0	53.99	3	6	0	0.401300000000001	5.35805	3.22	4.493	51.367	104.635	2.6482	333.125764937207
Cond-002980	NPD3067	NPD3067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8451273353	Cc1cccc2c1oc1c(c2=O)c(O)cc(OCc2ccc(C=C)cc2)c1	InChI=1S/C23H18O4/c1-3-15-7-9-16(10-8-15)13-26-17-11-19(24)21-20(12-17)27-23-14(2)5-4-6-18(23)22(21)25/h3-12,24H,1,13H2,2H3	C23H18O4	358.387	4	1	55.76	4	4	1	0.328800000000001	4.9806	3.55	6.219	31.5103	106.0908	2.6767	330.39813138598
Cond-002981	NPD3068	NPD3068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.0725485607	COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)cc1	InChI=1S/C26H27NO5/c1-15-17(3)31-23-14-24-22(13-21(15)23)16(2)20(26(29)32-24)9-10-25(28)27-12-11-18-5-7-19(30-4)8-6-18/h5-8,13-14H,9-12H2,1-4H3,(H,27,28)	C26H27NO5	433.496	6	1	77.77	4	8	0	1.2327	4.86181000000001	3.66	4.335	65.8618	127.3357	3.3009	404.709530873108
Cond-002982	NPD3069	NPD3069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7004814048	Cc1c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc(Cl)cc1	InChI=1S/C24H18ClNO4/c1-15-7-8-17(25)11-21(15)26-23(27)14-29-18-9-10-19-20(16-5-3-2-4-6-16)13-24(28)30-22(19)12-18/h2-13H,14H2,1H3,(H,26,27)	C24H18ClNO4	419.857	5	1	64.63	4	6	1	0.47	5.94299	3.44	6.993	40.0554	119.5657	2.9968	371.265485289646
Cond-002983	NPD307	NPD307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2048901269	CCOc1cc2c(cc1)c(=O)c(c(C)o2)c1cc2c(OCCCO2)cc1	InChI=1S/C21H20O5/c1-3-23-15-6-7-16-18(12-15)26-13(2)20(21(16)22)14-5-8-17-19(11-14)25-10-4-9-24-17/h5-8,11-12H,3-4,9-10H2,1-2H3	C21H20O5	352.38	5	0	53.99	4	3	0	-0.5274	4.53937	3.22	3.876	48.3076	101.233	2.5826	323.405764937207
Cond-002984	NPD3070	NPD3070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.9021537862	CCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Cl)cc1	InChI=1S/C25H26ClN3O2/c1-3-4-13-28-15-21(30)29-14-19(16-9-11-17(26)12-10-16)22-18-7-5-6-8-20(18)27-23(22)25(29,2)24(28)31/h5-12,19,27H,3-4,13-15H2,1-2H3/t19?,25-/m0/s1	C25H26ClN3O2	435.946	5	1	56.41	5	4	0	-1.5287	4.50699000000001	3.55	4.587	61.1153	125.424	3.2403	388.527454332325
Cond-002985	NPD3071	NPD3071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.721219664	CCCc1cc(=O)oc2c3CN(Cc4c(OC)cc(OC)cc4)COc3ccc12	InChI=1S/C23H25NO5/c1-4-5-15-10-22(25)29-23-18(15)8-9-20-19(23)13-24(14-28-20)12-16-6-7-17(26-2)11-21(16)27-3/h6-11H,4-5,12-14H2,1-3H3	C23H25NO5	395.448	6	0	57.23	4	6	0	-0.315699999999999	5.14237	3.33	4.002	61.7978	116.634	2.9642	368.994494397108
Cond-002986	NPD3072	NPD3072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.1249198599	COc1cccc(c1)C(=O)Nc1c(c(=O)c2ccccc2o1)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C26H23NO7/c1-30-17-9-7-8-15(12-17)25(29)27-26-22(23(28)18-10-5-6-11-19(18)34-26)16-13-20(31-2)24(33-4)21(14-16)32-3/h5-14H,1-4H3,(H,27,29)	C26H23NO7	461.463	8	1	92.32	4	8	0	-0.9784	4.38137	3.44	4.695	50.8091	128.8992	3.3323	417.01706687263
Cond-002987	NPD3073	NPD3073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2661870504	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1)C(=O)O	InChI=1S/C22H26N2O7/c1-3-12(2)20(21(27)28)24-18(25)10-23-19(26)11-30-13-7-8-15-14-5-4-6-16(14)22(29)31-17(15)9-13/h7-9,12,20H,3-6,10-11H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t12-,20-/m1/s1	C22H26N2O7	430.451	9	3	131.03	3	11	1	-2.5052	2.20557	2.89	1.789	80.3263	114.6162	3.1491	403.53218208133
Cond-002988	NPD3074	NPD3074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9125381661	Oc1nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c(=O)n1c1ccc(Cl)cc1	InChI=1S/C21H17ClN4O3/c22-11-5-7-12(8-6-11)26-20(28)16(19(27)25-21(26)29)18-17-14(9-10-23-18)13-3-1-2-4-15(13)24-17/h1-8,18,23-24,27H,9-10H2,(H,25,29)	C21H17ClN4O3	408.838	7	4	100.95	5	2	0	0.0874999999999998	3.90555	2.89	3.484	50.1136	116.3103	2.7922	336.494044036785
Cond-002989	NPD3075	NPD3075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4898160477	CCc1ccc(cc1)C(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2c1cc(OC)c(OC)c2	InChI=1S/C29H30N2O5/c1-6-18-7-9-19(10-8-18)29(32)31-23-17-28(36-5)26(34-3)15-21(23)13-24-22-16-27(35-4)25(33-2)14-20(22)11-12-30-24/h7-12,14-17H,6,13H2,1-5H3,(H,31,32)	C29H30N2O5	486.559	7	1	78.91	4	10	1	-0.213899999999999	6.51548000000001	3.88	6.247	51.8098	144.5227	3.7374	451.421327557275
Cond-002990	NPD3076	NPD3076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.6311435044	[C@@H]12[C@H](CCC(=O)N)N[C@]3(C(=O)Nc4c(C)c(Cl)ccc34)[C@@H]1C(=O)N(C2=O)c1ccc(C)cc1	InChI=1S/C24H23ClN4O4/c1-11-3-5-13(6-4-11)29-21(31)18-16(9-10-17(26)30)28-24(19(18)22(29)32)14-7-8-15(25)12(2)20(14)27-23(24)33/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19-,24-/m0/s1	C24H23ClN4O4	466.917	8	4	121.6	5	4	0	-1.2979	2.66122	3.11	1.799	67.5907	123.7048	3.2736	408.072224614947
Cond-002991	NPD3077	NPD3077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5513790578	COc1c2c(oc(=O)c(CC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c2C)cc(C)c1	InChI=1S/C25H24N2O7/c1-12-6-20(33-3)23-13(2)16(25(32)34-21(23)7-12)10-22(29)27-19(24(30)31)8-14-11-26-18-5-4-15(28)9-17(14)18/h4-7,9,11,19,26,28H,8,10H2,1-3H3,(H,27,29)(H,30,31)	C25H24N2O7	464.467	9	4	137.95	4	8	0	-0.597500000000001	3.28008000000001	3.22	2.206	65.7529	128.4293	3.3342	413.35430115573
Cond-002992	NPD3079	NPD3079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9831849654	COc1cc(OC)c(cc1)c1cc2ccc(OS(=O)(=O)C)cc2oc1=O	InChI=1S/C18H16O7S/c1-22-12-6-7-14(17(9-12)23-2)15-8-11-4-5-13(25-26(3,20)21)10-16(11)24-18(15)19/h4-10H,1-3H3	C18H16O7S	376.38	7	0	96.51	3	5	0	-0.213	4.02567	2.56	2.568	45.7103	98.46	2.5494	319.963747219129
Cond-002993	NPD308	NPD308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1637269046	CC1CCC2C(O1)c1c(OC2(C)CCC2C(C)(C)C2(Cl)Cl)cccc1	InChI=1S/C21H28Cl2O2/c1-13-9-10-15-18(24-13)14-7-5-6-8-16(14)25-20(15,4)12-11-17-19(2,3)21(17,22)23/h5-8,13,15,17-18H,9-12H2,1-4H3	C21H28Cl2O2	383.352	2	0	18.46	4	3	1	1.6651	6.51840000000001	3.33	6.484	73.9705	103.978	2.8663	351.539513880391
Cond-002994	NPD3080	NPD3080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.080769515	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(Cc4cc(Cl)c(Cl)cc4)CO3)cc12	InChI=1S/C26H21Cl2NO4/c1-15-25-18(13-29(14-32-25)12-16-3-8-22(27)23(28)9-16)10-21-20(11-24(30)33-26(15)21)17-4-6-19(31-2)7-5-17/h3-11H,12-14H2,1-2H3	C26H21Cl2NO4	482.355	5	0	48	5	4	1	2.041	6.16129	3.55	5.83	57.5396	132.051	3.3354	411.348522311813
Cond-002995	NPD3081	NPD3081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1584158416	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc2c(OCCO2)cc1	InChI=1S/C23H23NO5/c1-2-3-4-15-11-22(25)29-23-17(15)6-8-19-18(23)13-24(14-28-19)16-5-7-20-21(12-16)27-10-9-26-20/h5-8,11-12H,2-4,9-10,13-14H2,1H3	C23H23NO5	393.432	6	0	57.23	5	4	0	-0.796700000000001	6.10275	3.33	4.418	58.0282	116.987	2.8556	356.638035696308
Cond-002996	NPD3082	NPD3082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4116960202	COc1ccc(cc1)c1coc2cc(OCC(=O)c3ccccc3)ccc2c1=O	InChI=1S/C24H18O5/c1-27-18-9-7-16(8-10-18)21-14-29-23-13-19(11-12-20(23)24(21)26)28-15-22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3	C24H18O5	386.397	5	0	61.83	4	6	1	-1.3382	4.85957	3.55	5.906	34.1482	112.6595	2.8333	353.847884011607
Cond-002997	NPD3083	NPD3083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1128834356	COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(C=C)cc4)ccc3c2=O)cc1	InChI=1S/C27H22O6/c1-4-18-5-7-19(8-6-18)16-31-22-13-14-23-24(15-22)32-17(2)26(25(23)28)33-21-11-9-20(10-12-21)27(29)30-3/h4-15H,1,16H2,2-3H3	C27H22O6	442.46	6	0	71.06	4	8	1	0.0179000000000003	4.95317	3.77	7.829	51.7576	124.3085	3.2717	411.889605888969
Cond-002998	NPD3084	NPD3084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1197448102	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(C1CCCC1)C2=O	InChI=1S/C22H27N3O3S/c1-12-6-5-9-14-18(12)23-21(28)22(14)17-16(15(24-22)10-11-29-2)19(26)25(20(17)27)13-7-3-4-8-13/h5-6,9,13,15-17,24H,3-4,7-8,10-11H2,1-2H3,(H,23,28)/t15?,16-,17+,22?/m1/s1	C22H27N3O3S	413.533	6	2	103.81	5	4	0	-2.5821	2.67831	3.11	2.531	77.729	114.3754	3.0464	378.437059544852
Cond-002999	NPD3085	NPD3085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8608632747	COc1ccc(cc1)C1N(C)C(=O)C(=O)/C/1=C(/O)\c1ccc(OC)cc1	InChI=1S/C20H19NO5/c1-21-17(12-4-8-14(25-2)9-5-12)16(19(23)20(21)24)18(22)13-6-10-15(26-3)11-7-13/h4-11,17,22H,1-3H3/b18-16+	C20H19NO5	353.369	6	1	76.07	3	4	0	-1.2412	2.46538	3	3.332	47.2177	97.4578	2.6071	326.826540519507
Cond-003000	NPD3086	NPD3086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.688782626	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)NCCc1c[nH]c2ccccc12	InChI=1S/C27H22N2O4/c30-26(28-13-12-19-16-29-24-9-5-4-8-21(19)24)17-32-20-10-11-22-23(18-6-2-1-3-7-18)15-27(31)33-25(22)14-20/h1-11,14-16,29H,12-13,17H2,(H,28,30)	C27H22N2O4	438.475	6	2	80.42	5	8	1	-1.0695	4.73156000000001	3.77	6.74	41.4017	131.8207	3.24530000000001	393.04621420338
Cond-003001	NPD3087	NPD3087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.0186146762	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccccc3CC)cc12	InChI=1S/C23H25NO3/c1-4-8-17-12-21(25)27-23-15(3)22-18(11-19(17)23)13-24(14-26-22)20-10-7-6-9-16(20)5-2/h6-7,9-12H,4-5,8,13-14H2,1-3H3	C23H25NO3	363.449	4	0	38.77	4	4	1	0.725200000000001	6.03108000000001	3.55	5.951	58.3066	112.337	2.8468	351.414040995985
Cond-003002	NPD3088	NPD3088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.00790533	[O-]c1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1C[NH+]1CCCCC1	InChI=1S/C22H21NO5/c24-17-6-5-15-21(25)20(11-14-4-7-18-19(10-14)27-13-26-18)28-22(15)16(17)12-23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12-13H2/b20-11-	C22H21NO5	379.406	6	1	72.26	5	3	0	-3.7668	2.17637	3.22	3.112	46.9549	105.2317	2.7147	339.342051070441
Cond-003003	NPD3089	NPD3089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2606916611	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](CC(=O)N)C(=O)O)c3)C2=O)ccc1	InChI=1S/C22H20N2O8/c1-30-13-4-2-3-12(7-13)8-18-21(27)15-6-5-14(9-17(15)32-18)31-11-20(26)24-16(22(28)29)10-19(23)25/h2-9,16H,10-11H2,1H3,(H2,23,25)(H,24,26)(H,28,29)/b18-8-/t16-/m1/s1	C22H20N2O8	440.403	10	4	154.25	3	10	0	-2.4363	2.18776	2.78	1.581	60.0826	117.5474	3.0788	393.513032679491
Cond-003004	NPD309	NPD309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.0968366688	COC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1)c1ccccc1	InChI=1S/C30H40N2O5/c1-29-15-13-21(32-37-18-26(34)31-27(28(35)36-3)19-7-5-4-6-8-19)17-20(29)9-10-22-23-11-12-25(33)30(23,2)16-14-24(22)29/h4-8,17,22-25,27,33H,9-16,18H2,1-3H3,(H,31,34)/b32-21-/t22?,23?,24?,25?,27?,29-,30-/m0/s1	C30H40N2O5	508.649	7	2	97.22	5	8	1	-0.7169	4.68187000000001	3.99	6.359	112.129	144.7915	3.9847	502.243146986342
Cond-003005	NPD3091	NPD3091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6413628213	CCC(C)NC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C21H25NO4/c1-6-11(2)22-20(23)8-7-15-13(4)17-9-16-12(3)14(5)25-18(16)10-19(17)26-21(15)24/h9-11H,6-8H2,1-5H3,(H,22,23)	C21H25NO4	355.427	5	1	68.54	3	6	0	0.781499999999999	4.40901000000001	3.22	3.387	67.4889	105.5237	2.7753	340.605215846413
Cond-003006	NPD3092	NPD3092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.886808015	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(Cl)cc1)c1cc(OC)ccc1	InChI=1S/C34H27ClN4O4/c1-43-23-8-6-7-21(17-23)31-30-26(24-9-2-4-11-27(24)37-30)18-29-33(41)39(34(42)38(29)31)28-12-5-3-10-25(28)32(40)36-19-20-13-15-22(35)16-14-20/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.2474	5.43718000000001	4.21	7.029	54.8553	166.4467	4.20740000000001	507.800401267214
Cond-003007	NPD3093	NPD3093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7136147938	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCCC(C)C	InChI=1S/C24H25N3O2/c1-14(2)11-12-25-23(28)20-13-18-15-7-5-6-10-19(15)26-21(18)22-16-8-3-4-9-17(16)24(29)27(20)22/h3-10,14,20,22,26H,11-13H2,1-2H3,(H,25,28)/t20-,22?/m0/s1	C24H25N3O2	387.474	5	2	65.2	5	5	1	-1.5386	3.38869000000001	3.55	5.187	51.6607	115.7657	2.977	356.020401936024
Cond-003008	NPD3094	NPD3094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.384767557	COc1ccc(NC(=O)COc2c3c(C)cc(=O)oc3c3CCC(C)(C)Oc3c2)cc1OC	InChI=1S/C25H27NO7/c1-14-10-22(28)32-24-16-8-9-25(2,3)33-18(16)12-20(23(14)24)31-13-21(27)26-15-6-7-17(29-4)19(11-15)30-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,26,27)	C25H27NO7	453.484	8	1	92.32	4	7	0	0.380099999999999	5.80005000000001	3.33	3.357	73.7757	128.9727	3.3204	418.530458349163
Cond-003009	NPD3095	NPD3095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.7175713868	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N(C)Cc1ccccc1	InChI=1S/C28H32N4O3/c1-18(2)16-23(25(33)30(4)17-19-10-6-5-7-11-19)32-26(34)28(3)24-21(14-15-31(28)27(32)35)20-12-8-9-13-22(20)29-24/h5-13,18,23,29H,14-17H2,1-4H3/t23-,28-/m0/s1	C28H32N4O3	472.579	7	1	76.72	5	7	1	-0.5993	3.11738000000001	3.77	5.513	75.2764	137.255	3.6561	442.35486864742
Cond-003010	NPD3096	NPD3096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7431759315	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccnc1	InChI=1S/C26H22N4O2/c1-2-32-23-12-6-4-10-19(23)24-25-20(18-9-3-5-11-21(18)29-25)14-22(30-24)26(31)28-16-17-8-7-13-27-15-17/h3-15,29H,2,16H2,1H3,(H,28,31)	C26H22N4O2	422.478	6	2	79.9	5	7	1	-0.845	5.11257000000001	3.66	5.304	27.0633	131.2757	3.1866	369.263296592724
Cond-003011	NPD3097	NPD3097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8037588479	CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)cc2oc1=O)C(=O)O	InChI=1S/C26H32N2O7/c1-7-13(2)23(24(31)32)28-22(30)11-27-21(29)9-16-14(3)15-8-17-18(26(4,5)6)12-34-19(17)10-20(15)35-25(16)33/h8,10,12-13,23H,7,9,11H2,1-6H3,(H,27,29)(H,28,30)(H,31,32)/t13-,23+/m1/s1	C26H32N2O7	484.541	9	3	134.94	3	11	1	0.0928000000000011	4.09657000000001	3.33	3.467	92.3	134.0332	3.6697	459.179661883997
Cond-003012	NPD3098	NPD3098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9131009046	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cc(Cl)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OC)ccc1	InChI=1S/C30H26ClN3O4/c1-16-13-18(31)15-21-25(16)33-28(37)30(21)29(20-9-3-4-10-22(20)32-27(29)36)24(23-11-6-12-34(23)30)26(35)17-7-5-8-19(14-17)38-2/h3-5,7-10,13-15,23-24H,6,11-12H2,1-2H3,(H,32,36)(H,33,37)/t23-,24-,29+,30+/m0/s1	C30H26ClN3O4	527.998	7	2	87.74	7	3	0	-1.5999	5.5389	3.88	3.721	64.0389	145.9089	3.71600000000001	459.96553735878
Cond-003013	NPD3099	NPD3099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.689407095	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)c3)C2=O)c(OC)c1	InChI=1S/C30H26N2O8/c1-37-19-8-7-17(25(13-19)38-2)12-27-29(34)22-10-9-20(14-26(22)40-27)39-16-28(33)32-24(30(35)36)11-18-15-31-23-6-4-3-5-21(18)23/h3-10,12-15,24,31H,11,16H2,1-2H3,(H,32,33)(H,35,36)/b27-12-/t24-/m1/s1	C30H26N2O8	542.536	10	3	136.18	5	11	1	-2.2461	4.96825	3.66	4.401	63.5731	153.764	3.85980000000001	477.458616182425
Cond-003014	NPD31	NPD31	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.9035889563	COc1ccc(cc1)c1c/c(=N/c2cccc(OC)c2)/c2c(o1)cccc2	InChI=1S/C23H19NO3/c1-25-18-12-10-16(11-13-18)23-15-21(20-8-3-4-9-22(20)27-23)24-17-6-5-7-19(14-17)26-2/h3-15H,1-2H3/b24-21-	C23H19NO3	357.402	4	0	40.05	4	4	1	-0.449	5.47387	3.55	6.488	32.425	109.046	2.7178	332.604664893585
Cond-003015	NPD310	NPD310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.3678266394	CC1C=C(C)[C@H]2C(C)[C@@]1(COC(=O)c1ccccc1)COC2c1ccco1	InChI=1S/C23H26O4/c1-15-12-16(2)23(14-27-22(24)18-8-5-4-6-9-18)13-26-21(20(15)17(23)3)19-10-7-11-25-19/h4-12,16-17,20-21H,13-14H2,1-3H3/t16?,17?,20-,21?,23+/m0/s1	C23H26O4	366.45	4	0	48.67	4	5	1	0.350400000000001	4.57688000000001	3.55	5.929	60.2168	106.536	2.8487	351.84396618918
Cond-003016	NPD3100	NPD3100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0170112993	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3c(C)ccc(C)c3)c(C)c1c2	InChI=1S/C25H25NO4/c1-13-6-7-14(2)21(10-13)26-24(27)9-8-18-16(4)20-11-19-15(3)17(5)29-22(19)12-23(20)30-25(18)28/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)	C25H25NO4	403.47	5	1	68.54	4	5	1	2.3013	5.84385000000001	3.66	5.124	60.3862	120.4887	3.1013	378.62331954668
Cond-003017	NPD3102	NPD3102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.0616243754	COC(=O)c1ccc(cc1)N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C24H23NO5/c1-14-21-16(11-20-18-5-3-4-6-19(18)24(27)30-22(14)20)12-25(13-29-21)17-9-7-15(8-10-17)23(26)28-2/h7-11H,3-6,12-13H2,1-2H3	C24H23NO5	405.443	6	0	65.07	5	3	0	0.0636999999999995	4.84421000000001	3.44	4.353	60.6778	117.484	2.9535	371.297561621374
Cond-003018	NPD3103	NPD3103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.3992426696	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)NC1CCCCC1)[C@H]2c1ccc(OC)c(OC)c1	InChI=1S/C25H38N2O4/c1-30-21-12-11-18(16-22(21)31-2)24-20-10-6-7-13-25(20,29)14-15-27(24)17-23(28)26-19-8-4-3-5-9-19/h11-12,16,19-20,24,29H,3-10,13-15,17H2,1-2H3,(H,26,28)/t20-,24-,25-/m0/s1	C25H38N2O4	430.58	6	2	71.03	4	7	0	-3.86030000000001	3.71359000000001	3.55	3.622	80.9079	122.8655	3.4591	427.238831959647
Cond-003019	NPD3104	NPD3104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1159988243	Cc1cccc(N2COc3c(C2)cc2c(oc(=O)c4c2cccc4)c3C)c1C	InChI=1S/C24H21NO3/c1-14-7-6-10-21(15(14)2)25-12-17-11-20-18-8-4-5-9-19(18)24(26)28-23(20)16(3)22(17)27-13-25/h4-11H,12-13H2,1-3H3	C24H21NO3	371.428	4	0	38.77	5	1	1	1.7111	5.64214	3.66	6.602	36.2612	114.104	2.7931	340.180649519452
Cond-003020	NPD3105	NPD3105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.0963139981	CCC(C)NC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C23H21N3O3/c1-3-13(2)24-23(27)18-11-16-15-6-4-5-7-17(15)25-22(16)21(26-18)14-8-9-19-20(10-14)29-12-28-19/h4-11,13,25H,3,12H2,1-2H3,(H,24,27)	C23H21N3O3	387.431	6	2	76.24	5	5	0	-1.5937	5.48616000000001	3.33	4.515	36.3205	120.8587	2.8518	333.978185309919
Cond-003021	NPD3106	NPD3106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7610327824	Cc1c2oc(=O)c(CCC(=O)NCC(=O)NCC(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C24H26N2O7/c1-12-14(7-8-19(27)25-10-20(28)26-11-21(29)30)24(31)33-22-13(2)23-17(9-16(12)22)15-5-3-4-6-18(15)32-23/h9H,3-8,10-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)	C24H26N2O7	454.472	9	3	134.94	4	9	0	-0.958399999999999	2.79009	3.11	1.399	82.5747	125.0812	3.2793	412.231233931463
Cond-003022	NPD3107	NPD3107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.371096157	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)CC)C(=O)O	InChI=1S/C25H35N3O5S/c1-7-14(4)18(24(32)33)27-20(29)17(12-13(2)3)26-21(30)19-25(5,6)34-23-16-11-9-8-10-15(16)22(31)28(19)23/h8-11,13-14,17-19,23H,7,12H2,1-6H3,(H,26,30)(H,27,29)(H,32,33)/t14?,17-,18-,19+,23?/m0/s1	C25H35N3O5S	489.627	8	3	141.11	3	11	1	-0.573400000000001	3.07419	3.22	4.538	100.3164	133.6827	3.7607	469.981925524375
Cond-003023	NPD3108	NPD3108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6852902017	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(Cl)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C31H28ClN3O6/c1-39-23-13-16(14-24(40-2)27(23)41-3)26(36)25-22-9-6-12-35(22)31(19-15-17(32)10-11-21(19)34-29(31)38)30(25)18-7-4-5-8-20(18)33-28(30)37/h4-5,7-8,10-11,13-15,22,25H,6,9,12H2,1-3H3,(H,33,37)(H,34,38)/t22-,25-,30+,31+/m0/s1	C31H28ClN3O6	574.024	9	2	106.2	7	5	0	-2.3455	5.52808	3.77	2.721	73.1684	155.3729	3.9743	494.841975385769
Cond-003024	NPD3109	NPD3109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.0171469634	CCC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(OC)cc1	InChI=1S/C24H31N3O3/c1-4-16(2)22(24(29)26-14-17-9-11-20(30-3)12-10-17)27-23(28)21-13-18-7-5-6-8-19(18)15-25-21/h5-12,16,21-22,25H,4,13-15H2,1-3H3,(H,26,29)(H,27,28)/t16?,21-,22-/m0/s1	C24H31N3O3	409.521	6	3	79.46	3	10	0	-2.0737	2.11169	3.44	4.597	63.7798	118.7311	3.2959	403.060004738986
Cond-003025	NPD311	NPD311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	78.1485148515	CCCc1c(c(=O)c2c(o1)cc(OC(C)C)c(CC)c2)c1cc2c(OCCO2)cc1	InChI=1S/C25H28O5/c1-5-7-20-24(17-8-9-19-23(13-17)28-11-10-27-19)25(26)18-12-16(6-2)21(29-15(3)4)14-22(18)30-20/h8-9,12-15H,5-7,10-11H2,1-4H3	C25H28O5	408.487	5	0	53.99	4	6	1	-0.653599999999999	6.38116000000001	3.66	5.481	68.4809	121.884	3.1462	392.589703440675
Cond-003026	NPD3110	NPD3110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	60.0140416569	COc1cc(CNC(=O)[C@H](C(C)C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)ccc1	InChI=1S/C27H30N4O4/c1-16(2)22(24(32)28-15-17-8-7-9-18(14-17)35-4)31-25(33)27(3)23-20(12-13-30(27)26(31)34)19-10-5-6-11-21(19)29-23/h5-11,14,16,22,29H,12-13,15H2,1-4H3,(H,28,32)/t22-,27-/m0/s1	C27H30N4O4	474.551	8	2	94.74	5	7	0	-1.009	3.02958	3.55	3.514	72.4437	134.9517	3.5739	433.849110722114
Cond-003027	NPD3111	NPD3111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.0667924716	COc1c(OC)cc2c(oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c2C)c1	InChI=1S/C18H20N2O8/c1-9-10-4-13(26-2)14(27-3)6-12(10)28-18(25)11(9)5-15(21)19-7-16(22)20-8-17(23)24/h4,6H,5,7-8H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)	C18H20N2O8	392.36	10	3	140.26	2	10	0	-1.3543	0.838080000000001	2.34	-0.605	70.0793	101.3512	2.7528	355.494928979224
Cond-003028	NPD3112	NPD3112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.0967741935	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O)C(=O)O	InChI=1S/C26H32N2O7/c1-12(2)21(24(31)32)28-20(30)10-27-19(29)9-16-13(3)15-8-17-18(26(5,6)7)11-34-22(17)14(4)23(15)35-25(16)33/h8,11-12,21H,9-10H2,1-7H3,(H,27,29)(H,28,30)(H,31,32)/t21-/m0/s1	C26H32N2O7	484.541	9	3	134.94	3	10	0	1.411	3.73449000000001	3.33	3.01	94.7243	133.0562	3.6697	459.179661883997
Cond-003029	NPD3113	NPD3113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.8792769529	Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C21H18ClNO7/c1-10-13-7-15(22)17(25)9-18(13)30-21(29)14(10)8-19(26)23-16(20(27)28)6-11-2-4-12(24)5-3-11/h2-5,7,9,16,24-25H,6,8H2,1H3,(H,23,26)(H,27,28)/t16-/m0/s1	C21H18ClNO7	431.823	8	4	133.16	3	7	0	-0.4833	3.19787	2.78	2.017	57.8152	111.5821	2.9448	374.277587616129
Cond-003030	NPD3115	NPD3115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1972174762	Cc1c(CCC(=O)NCCc2c[nH]c3ccccc23)c(=O)oc2cc(O)ccc12	InChI=1S/C23H22N2O4/c1-14-17-7-6-16(26)12-21(17)29-23(28)18(14)8-9-22(27)24-11-10-15-13-25-20-5-3-2-4-19(15)20/h2-7,12-13,25-26H,8-11H2,1H3,(H,24,27)	C23H22N2O4	390.432	6	3	91.42	4	7	0	-0.5236	4.18036000000001	3.33	3.222	51.5569	116.2975	2.9193	355.028110503113
Cond-003031	NPD3116	NPD3116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3569388358	Cc1cccc(n2c(O)nc(O)c(C3NCCc4c3[nH]c3c4cccc3)c2=O)c1C	InChI=1S/C23H22N4O3/c1-12-6-5-9-17(13(12)2)27-22(29)18(21(28)26-23(27)30)20-19-15(10-11-24-20)14-7-3-4-8-16(14)25-19/h3-9,20,24-25,28H,10-11H2,1-2H3,(H,26,30)	C23H22N4O3	402.446	7	4	100.95	5	2	0	0.627199999999999	3.36290000000001	3.22	4.034	55.5022	118.8463	2.9516	355.874945518085
Cond-003032	NPD3117	NPD3117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7241884306	COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1	InChI=1S/C21H21NO5/c1-13-17-8-5-15(23)11-19(17)27-21(25)18(13)12-20(24)22-10-9-14-3-6-16(26-2)7-4-14/h3-8,11,23H,9-10,12H2,1-2H3,(H,22,24)	C21H21NO5	367.395	6	2	84.86	3	7	0	-0.2174	3.39427	3.11	2.955	50.7073	104.9025	2.748	344.122525145374
Cond-003033	NPD3118	NPD3118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9697666455	CCC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N1CCC[C@@H]1C(=O)O	InChI=1S/C20H26N4O5/c1-3-12(2)17(18(26)23-10-6-9-15(23)19(27)28)22-20(29)24-11-16(25)21-13-7-4-5-8-14(13)24/h4-5,7-8,12,15,17H,3,6,9-11H2,1-2H3,(H,21,25)(H,22,29)(H,27,28)/t12?,15-,17+/m1/s1	C20H26N4O5	402.444	9	3	124.76	3	8	0	-2.7676	1.27706	2.67	2.174	72.1684	106.5013	2.9925	365.089738545608
Cond-003034	NPD3119	NPD3119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5806006213	[C@@H]12C(Cc3ccccc3)NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C30H29N3O3/c1-18-13-14-22-26(19(18)2)31-29(36)30(22)25-24(23(32-30)17-21-11-7-4-8-12-21)27(34)33(28(25)35)16-15-20-9-5-3-6-10-20/h3-14,23-25,32H,15-17H2,1-2H3,(H,31,36)/t23?,24-,25+,30?/m1/s1	C30H29N3O3	479.57	6	2	78.51	6	5	1	-0.8246	3.49603	4.1	7.577	61.1022	137.9194	3.64350000000001	448.320701588586
Cond-003035	NPD312	NPD312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.140073773	OC12OC(c3ccccc3)C3(CC/C(=C\c4ccccc4)/C3=O)CC1CCCC2C1=CCCCC1	InChI=1S/C32H36O3/c33-29-26(21-23-11-4-1-5-12-23)19-20-31(29)22-27-17-10-18-28(24-13-6-2-7-14-24)32(27,34)35-30(31)25-15-8-3-9-16-25/h1,3-5,8-9,11-13,15-16,21,27-28,30,34H,2,6-7,10,14,17-20,22H2/b26-21+	C32H36O3	468.626	3	1	46.53	6	3	1	-0.935000000000002	6.82247000000001	4.65	9.5	83.0923	139.4428	3.7549	468.73176631822
Cond-003036	NPD3120	NPD3120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.7940249285	COc1cc(/C=C/2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC	InChI=1S/C24H19FO8S/c1-29-21-11-14(12-22(30-2)24(21)31-3)10-20-23(26)18-9-6-16(13-19(18)32-20)33-34(27,28)17-7-4-15(25)5-8-17/h4-13H,1-3H3/b20-10-	C24H19FO8S	486.466	8	0	105.74	4	7	0	-0.4654	5.03576	3	3.935	49.4231	119.406	3.2336	407.431605721997
Cond-003037	NPD3122	NPD3122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0749153218	CCCCCNC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C21H25NO4/c1-4-5-6-9-22-20(23)8-7-15-14(3)17-10-16-13(2)12-25-18(16)11-19(17)26-21(15)24/h10-12H,4-9H2,1-3H3,(H,22,23)	C21H25NO4	355.427	5	1	68.54	3	8	0	-0.2233	4.79189000000001	3.22	3.568	62.9952	104.0937	2.7753	340.605215846413
Cond-003038	NPD3123	NPD3123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.8234708109	CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12	InChI=1S/C23H23NO6S/c1-2-16-10-22(26)30-20-11-17(8-9-18(16)20)29-12-21(25)24-19(23(27)28)14-31-13-15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3,(H,24,25)(H,27,28)/t19-/m0/s1	C23H23NO6S	441.497	7	2	127.23	3	11	2	-0.392500000000001	3.49307	3.11	5.113	67.0482	121.4965	3.209	403.377286454469
Cond-003039	NPD3124	NPD3124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.5123429846	COc1c(OC)c(OC)c(cc1)/C=C/1\Oc2c(C[NH+]3CC(C)CC(C)C3)c([O-])ccc2C1=O	InChI=1S/C26H31NO6/c1-15-10-16(2)13-27(12-15)14-19-20(28)8-7-18-23(29)22(33-25(18)19)11-17-6-9-21(30-3)26(32-5)24(17)31-4/h6-9,11,15-16,28H,10,12-14H2,1-5H3/b22-11-	C26H31NO6	453.527	7	1	81.49	4	6	0	-2.4263	2.46468000000001	3.55	3.335	74.6314	125.7977	3.4456	429.672674975269
Cond-003040	NPD3125	NPD3125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.6114611244	COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc3c(OCO3)cc2)cc1	InChI=1S/C28H23N3O4/c1-33-19-9-6-17(7-10-19)12-13-29-28(32)23-15-21-20-4-2-3-5-22(20)30-27(21)26(31-23)18-8-11-24-25(14-18)35-16-34-24/h2-11,14-15,30H,12-13,16H2,1H3,(H,29,32)	C28H23N3O4	465.5	7	2	85.47	6	7	1	-1.1425	5.93896000000001	3.77	5.463	34.6934	142.6707	3.3774	398.082500336614
Cond-003041	NPD3126	NPD3126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.439166381	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1	InChI=1S/C36H32N4O3/c41-34(37-20-19-23-11-3-1-4-12-23)30(21-24-13-5-2-6-14-24)39-35(42)31-22-28-25-15-9-10-18-29(25)38-32(28)33-26-16-7-8-17-27(26)36(43)40(31)33/h1-18,30-31,33,38H,19-22H2,(H,37,41)(H,39,42)/t30-,31-,33?/m0/s1	C36H32N4O3	568.664	7	3	94.3	7	10	1	-2.2974	4.31279000000001	4.65	9.98	54.5628	168.5334	4.30810000000001	518.391076047952
Cond-003042	NPD3127	NPD3127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.060336694	Cc1c(CC(=O)NCCCCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C18H20ClNO6/c1-10-11-7-13(19)14(21)9-15(11)26-18(25)12(10)8-16(22)20-6-4-2-3-5-17(23)24/h7,9,21H,2-6,8H2,1H3,(H,20,22)(H,23,24)	C18H20ClNO6	381.807	7	3	112.93	2	9	0	-0.745900000000001	3.62408	2.56	1.476	65.0586	100.3803	2.701	344.765241841168
Cond-003043	NPD3128	NPD3128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.1744714483	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(OC)ccc1	InChI=1S/C27H33N3O4S/c1-16(2)13-21(23(31)28-15-17-9-8-10-18(14-17)34-5)29-24(32)22-27(3,4)35-26-20-12-7-6-11-19(20)25(33)30(22)26/h6-12,14,16,21-22,26H,13,15H2,1-5H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1	C27H33N3O4S	495.634	7	2	113.04	4	10	1	-0.113399999999998	3.2334	3.55	5.237	84.4567	138.7904	3.7892	467.254291973147
Cond-003044	NPD3129	NPD3129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.8932105418	CCc1ccccc1N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C26H23NO3/c1-3-18-9-7-8-12-23(18)27-15-20-13-22-21(19-10-5-4-6-11-19)14-24(28)30-26(22)17(2)25(20)29-16-27/h4-14H,3,15-16H2,1-2H3	C26H23NO3	397.466	4	0	38.77	5	3	1	0.8995	6.27928000000001	3.88	8.086	44.6309	122.973	3.0319	372.136160070385
Cond-003045	NPD313	NPD313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8626469852	COc1ccccc1C(CC/N=C/c1ccccc1O)C1CCOC(C)(C)C1	InChI=1S/C24H31NO3/c1-24(2)16-18(13-15-28-24)20(21-9-5-7-11-23(21)27-3)12-14-25-17-19-8-4-6-10-22(19)26/h4-11,17-18,20,26H,12-16H2,1-3H3/b25-17+	C24H31NO3	381.508	4	1	51.05	3	7	1	-1.1613	5.56939000000001	3.66	5.96	59.1204	116.094	3.1393	383.702943023453
Cond-003046	NPD3130	NPD3130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2192740805	C[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1)C(=O)O	InChI=1S/C20H27N3O4/c1-14(18(25)26)22-19(27)20(15-6-3-2-4-7-15)9-12-23(13-10-20)17(24)16-8-5-11-21-16/h2-4,6-7,14,16,21H,5,8-13H2,1H3,(H,22,27)(H,25,26)/t14-,16+/m1/s1	C20H27N3O4	373.446	7	3	98.74	3	7	0	-2.5925	1.12199	2.89	2.469	69.4305	103.4422	2.877	358.83921033768
Cond-003047	NPD3131	NPD3131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.937697637	NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C30H29N5O7/c31-25(36)17-22(26(37)33-23(29(40)41)15-18-9-3-1-4-10-18)32-27(38)24(16-19-11-5-2-6-12-19)35-28(39)20-13-7-8-14-21(20)34-30(35)42/h1-14,22-24H,15-17H2,(H2,31,36)(H,32,38)(H,33,37)(H,34,42)(H,40,41)/t22-,23-,24-/m0/s1	C30H29N5O7	571.581	12	6	191.49	4	14	3	-2.6539	1.60308	3.44	6.032	69.7112	155.7819	4.16610000000001	522.278670106364
Cond-003048	NPD3132	NPD3132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8959165773	CCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O	InChI=1S/C23H30N4O3/c1-5-11-24-20(28)18(13-14(2)3)27-21(29)23(4)19-16(10-12-26(23)22(27)30)15-8-6-7-9-17(15)25-19/h6-9,14,18,25H,5,10-13H2,1-4H3,(H,24,28)/t18-,23-/m0/s1	C23H30N4O3	410.509	7	2	85.51	4	7	0	-0.938300000000001	2.96038	3.22	3.244	78.39	118.7847	3.1892	387.040780321286
Cond-003049	NPD3133	NPD3133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1937432999	Cc1ccccc1COc1ccc2c(cc(=O)oc2c1C)c1cc2c(oc1=O)cccc2	InChI=1S/C27H20O5/c1-16-7-3-4-9-19(16)15-30-23-12-11-20-21(14-25(28)32-26(20)17(23)2)22-13-18-8-5-6-10-24(18)31-27(22)29/h3-14H,15H2,1-2H3	C27H20O5	424.445	5	0	61.83	5	4	1	1.397	5.2119	3.88	7.561	48.0408	122.913	3.1044	390.742920487607
Cond-003050	NPD3135	NPD3135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.8523426751	NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC(CC1)C(=O)O	InChI=1S/C27H29N5O7/c28-22(33)15-20(25(36)31-12-10-17(11-13-31)26(37)38)29-23(34)21(14-16-6-2-1-3-7-16)32-24(35)18-8-4-5-9-19(18)30-27(32)39/h1-9,17,20-21H,10-15H2,(H2,28,33)(H,29,34)(H,30,39)(H,37,38)/t20-,21-/m0/s1	C27H29N5O7	535.548	12	5	182.7	4	11	2	-3.2567	1.11418	3.11	2.917	80.3922	143.0092	3.8724	489.200092331164
Cond-003051	NPD3136	NPD3136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8542176937	CC(C)(C)c1ccc(cc1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C25H23NO3/c1-25(2,3)16-8-10-17(11-9-16)26-14-21-22(28-15-26)13-12-19-18-6-4-5-7-20(18)24(27)29-23(19)21/h4-13H,14-15H2,1-3H3	C25H23NO3	385.455	4	0	38.77	5	2	1	1.3413	6.80087000000001	3.77	8.061	38.8817	121.618	2.934	357.476634145319
Cond-003052	NPD3137	NPD3137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6080892608	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NCc1c(Cl)cccc1	InChI=1S/C22H23ClN2O4S/c1-22(2)18(19(26)24-11-12-7-5-6-8-14(12)23)25-20(27)16-13(21(25)30-22)9-10-15(28-3)17(16)29-4/h5-10,18,21H,11H2,1-4H3,(H,24,26)/t18-,21?/m1/s1	C22H23ClN2O4S	446.947	6	1	93.17	4	6	0	0.5425	3.3645	3	3.545	67.9042	118.9667	3.1503	387.62513510688
Cond-003053	NPD3138	NPD3138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8982193247	CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccc5OCOc5c4)ccc3c2=O)cc1	InChI=1S/C27H20O9/c1-2-11-31-26(29)16-3-6-18(7-4-16)35-24-14-32-22-13-19(8-9-20(22)25(24)28)36-27(30)17-5-10-21-23(12-17)34-15-33-21/h3-10,12-14H,2,11,15H2,1H3	C27H20O9	488.442	9	0	106.59	5	9	1	-1.782	6.59454	3.44	5.947	51.0502	135.646	3.3392	425.903827289852
Cond-003054	NPD3139	NPD3139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5850622407	CSCC[C@H](NC(=O)Cc1c(C)c2c(oc1=O)cc1occ(c1c2)c1ccc(C)cc1)C(=O)O	InChI=1S/C26H25NO6S/c1-14-4-6-16(7-5-14)20-13-32-22-12-23-17(10-19(20)22)15(2)18(26(31)33-23)11-24(28)27-21(25(29)30)8-9-34-3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H,27,28)(H,29,30)/t21-/m0/s1	C26H25NO6S	479.545	7	2	131.14	4	9	1	0.535000000000001	5.13329000000001	3.44	5.589	70.4402	135.8275	3.4801	429.372322930469
Cond-003055	NPD314	NPD314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4049081198	O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC1CCCCC1	InChI=1S/C21H29N3O3/c25-19(22-17-5-2-1-3-6-17)9-10-20(26)23-12-15-11-16(14-23)18-7-4-8-21(27)24(18)13-15/h4,7-8,15-17H,1-3,5-6,9-14H2,(H,22,25)/t15-,16+/m1/s1	C21H29N3O3	371.473	6	1	69.72	4	6	0	-3.4581	2.06237	3.11	0.765	93.8762	104.0657	2.8936	368.524968262986
Cond-003056	NPD3140	NPD3140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2535101022	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C29H27N3O4/c1-35-24-12-11-17(15-25(24)36-2)13-14-30-28(33)23-16-21-18-7-5-6-10-22(18)31-26(21)27-19-8-3-4-9-20(19)29(34)32(23)27/h3-12,15,23,27,31H,13-14,16H2,1-2H3,(H,30,33)/t23-,27?/m0/s1	C29H27N3O4	481.542	7	2	83.66	6	7	1	-1.6715	3.60249000000001	3.88	5.074	53.5647	139.5607	3.56130000000001	428.91494366328
Cond-003057	NPD3141	NPD3141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.3623428516	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(CCc1ccccc1)C2=O	InChI=1S/C29H26ClN3O2/c1-29-27-26(22-9-5-6-10-24(22)31-27)23(20-11-13-21(30)14-12-20)17-33(29)25(34)18-32(28(29)35)16-15-19-7-3-2-4-8-19/h2-14,23,31H,15-18H2,1H3/t23?,29-/m0/s1	C29H26ClN3O2	483.989	5	1	56.41	6	4	1	-0.7484	4.94959000000001	3.99	6.925	53.8452	140.662	3.5663	426.545558032592
Cond-003058	NPD3142	NPD3142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.762377713	COc1c(OC)cc2c(oc(=O)c(CC(=O)NCCCCCC(=O)O)c2C)c1	InChI=1S/C20H25NO7/c1-12-13-9-16(26-2)17(27-3)11-15(13)28-20(25)14(12)10-18(22)21-8-6-4-5-7-19(23)24/h9,11H,4-8,10H2,1-3H3,(H,21,22)(H,23,24)	C20H25NO7	391.415	8	2	111.16	2	11	1	-1.1335	3.28228	2.78	1.455	71.51	106.8095	2.9191	372.93637002303
Cond-003059	NPD3144	NPD3144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.9890516349	CC(n1c(O)nc(O)c(C2N(C)CCc3c2[nH]c2c3cccc2)c1=O)c1ccccc1	InChI=1S/C24H24N4O3/c1-14(15-8-4-3-5-9-15)28-23(30)19(22(29)26-24(28)31)21-20-17(12-13-27(21)2)16-10-6-7-11-18(16)25-20/h3-11,14,21,25,29H,12-13H2,1-2H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	3	0	-0.12	3.28276	3.33	4.663	59.0893	122.5006	3.0925	373.170930143952
Cond-003060	NPD3145	NPD3145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.5742145179	COc1cc(OC)c2c(oc(=O)c(CC(=O)N3CCC(CC3)C(=O)O)c2C)c1	InChI=1S/C20H23NO7/c1-11-14(10-17(22)21-6-4-12(5-7-21)19(23)24)20(25)28-16-9-13(26-2)8-15(27-3)18(11)16/h8-9,12H,4-7,10H2,1-3H3,(H,23,24)	C20H23NO7	389.399	8	1	102.37	3	6	0	-1.0134	2.66157	2.78	0.899	72.383	103.5738	2.8105	360.57991132223
Cond-003061	NPD3146	NPD3146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.1870307506	COc1c(OC)c(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](C)C(=O)O)c3)C2=O)cc1	InChI=1S/C23H23NO9/c1-12(23(27)28)24-19(25)11-32-14-6-7-15-17(10-14)33-18(20(15)26)9-13-5-8-16(29-2)22(31-4)21(13)30-3/h5-10,12H,11H2,1-4H3,(H,24,25)(H,27,28)/b18-9-/t12-/m1/s1	C23H23NO9	457.43	10	2	129.62	3	10	0	-1.8886	3.34946	2.89	2.093	68.6222	122.514	3.2216	411.238942498552
Cond-003062	NPD3147	NPD3147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.7454751689	Cc1c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C26H24ClN3O7/c1-13-16-9-18-19(14-4-6-15(27)7-5-14)12-36-21(18)11-22(16)37-25(34)17(13)10-23(31)30-20(24(32)33)3-2-8-29-26(28)35/h4-7,9,11-12,20H,2-3,8,10H2,1H3,(H,30,31)(H,32,33)(H3,28,29,35)/t20-/m0/s1	C26H24ClN3O7	525.938	10	5	160.96	4	11	1	-0.971300000000001	4.45407	3.11	2.251	69.9177	141.0186	3.6543	454.221655059397
Cond-003063	NPD3148	NPD3148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.8793460061	[C@@H]1(OC(=O)CCC(=O)NC(Cc2ccccc2)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C28H37NO9/c1-16-9-10-20-17(2)25(35-26-28(20)19(16)13-14-27(3,36-26)37-38-28)34-23(31)12-11-22(30)29-21(24(32)33)15-18-7-5-4-6-8-18/h4-8,16-17,19-21,25-26H,9-15H2,1-3H3,(H,29,30)(H,32,33)/t16-,17-,19+,20+,21?,25-,26-,27+,28?/m1/s1	C28H37NO9	531.595	10	2	129.62	4	10	1	-0.281799999999999	3.56379000000001	3.44	5.888	97.2778	135.1095	3.8809	494.451783029486
Cond-003064	NPD3149	NPD3149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8460907138	OC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1	InChI=1S/C25H21N3O5/c29-22(27-21(24(31)32)17-11-5-2-6-12-17)20(15-16-9-3-1-4-10-16)28-23(30)18-13-7-8-14-19(18)26-25(28)33/h1-14,20-21H,15H2,(H,26,33)(H,27,29)(H,31,32)/t20-,21-/m1/s1	C25H21N3O5	443.451	8	3	115.81	4	8	1	-1.8776	3.72058	3.33	6.578	41.0559	123.2337	3.23060000000001	401.497690561174
Cond-003065	NPD315	NPD315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8540039904	COc1c(Oc2c3c4c(onc4cc2)c2c(cccc2)C3=O)ccc(CC=C)c1	InChI=1S/C24H17NO4/c1-3-6-14-9-11-18(20(13-14)27-2)28-19-12-10-17-21-22(19)23(26)15-7-4-5-8-16(15)24(21)29-25-17/h3-5,7-13H,1,6H2,2H3	C24H17NO4	383.396	5	0	61.56	5	5	1	0.4049	6.41756	3.55	6.119	30.8018	116.584	2.7658	332.797958818413
Cond-003066	NPD3152	NPD3152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6564562198	COc1cccc(Oc2nc(=O)n3CCc4cc(OC)c(OC)cc4c3c2)c1	InChI=1S/C21H20N2O5/c1-25-14-5-4-6-15(10-14)28-20-12-17-16-11-19(27-3)18(26-2)9-13(16)7-8-23(17)21(24)22-20/h4-6,9-12H,7-8H2,1-3H3	C21H20N2O5	380.394	7	0	69.59	4	5	0	-0.669399999999998	3.33626	3	3.109	55.474	109.054	2.7392	342.762826652741
Cond-003067	NPD3153	NPD3153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.831508319	CC1(C)CC(CC(C)(C)N1)NC(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C26H30N2O4/c1-25(2)14-18(15-26(3,4)28-25)27-23(29)16-31-19-10-11-20-21(17-8-6-5-7-9-17)13-24(30)32-22(20)12-19/h5-13,18,28H,14-16H2,1-4H3,(H,27,29)	C26H30N2O4	434.527	6	2	76.66	4	6	1	0.312299999999999	4.39347000000001	3.66	6.364	72.0752	127.7934	3.385	420.452523081514
Cond-003068	NPD3154	NPD3154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3858120722	CCCC(NC(=O)CCc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O)C(=O)O	InChI=1S/C25H31NO6/c1-7-8-19(23(28)29)26-20(27)10-9-15-13(2)16-11-17-18(25(4,5)6)12-31-21(17)14(3)22(16)32-24(15)30/h11-12,19H,7-10H2,1-6H3,(H,26,27)(H,28,29)	C25H31NO6	441.517	7	2	105.84	3	9	0	1.2124	5.15249000000001	3.44	4.279	85.0403	124.7335	3.4133	424.733149050202
Cond-003069	NPD3155	NPD3155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5494794201	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(CCOC)C2=O	InChI=1S/C25H23ClN4O4/c1-34-10-9-30-22(31)19-18(11-13-12-27-17-8-3-2-5-14(13)17)29-25(20(19)23(30)32)15-6-4-7-16(26)21(15)28-24(25)33/h2-8,12,18-20,27,29H,9-11H2,1H3,(H,28,33)/t18?,19-,20+,25?/m1/s1	C25H23ClN4O4	478.928	8	3	103.53	6	5	0	-2.0805	2.90168	3.22	1.748	66.5898	130.7094	3.30590000000001	402.111750540013
Cond-003070	NPD3156	NPD3156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.8332296204	Cc1c(Cc2ccccc2)c(=O)oc2c3CN(CCc4c(Cl)cc(Cl)cc4)COc3ccc12	InChI=1S/C27H23Cl2NO3/c1-17-21-9-10-25-23(26(21)33-27(31)22(17)13-18-5-3-2-4-6-18)15-30(16-32-25)12-11-19-7-8-20(28)14-24(19)29/h2-10,14H,11-13,15-16H2,1H3	C27H23Cl2NO3	480.382	4	0	38.77	5	5	1	2.7157	7.09117000000001	3.77	7.959	58.1316	136.701	3.4176	419.854280237119
Cond-003071	NPD3157	NPD3157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5090230243	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C30H24ClNO6/c1-16-21-13-23-26(37-17(2)28(23)19-6-4-3-5-7-19)15-25(21)38-30(36)22(16)14-27(33)32-24(29(34)35)12-18-8-10-20(31)11-9-18/h3-11,13,15,24H,12,14H2,1-2H3,(H,32,33)(H,34,35)	C30H24ClNO6	529.968	7	2	105.84	5	8	1	0.722699999999999	6.25709000000001	3.88	7.098	60.0376	150.4135	3.76500000000001	464.092470343569
Cond-003072	NPD3158	NPD3158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6000788994	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(Cc1ccc3OCOc3c1)C2=O	InChI=1S/C30H23ClN4O5/c31-19-6-3-5-18-26(19)33-29(38)30(18)25-24(21(34-30)11-16-12-32-20-7-2-1-4-17(16)20)27(36)35(28(25)37)13-15-8-9-22-23(10-15)40-14-39-22/h1-10,12,21,24-25,32,34H,11,13-14H2,(H,33,38)/t21?,24-,25+,30?/m1/s1	C30H23ClN4O5	554.98	9	3	112.76	8	4	0	-2.343	4.34547	3.66	3.252	62.0339	151.5404	3.72290000000001	453.859606865908
Cond-003073	NPD3159	NPD3159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.347413514	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCCC)c1cc(OC)ccc1	InChI=1S/C31H30N4O4/c1-3-4-16-32-29(36)19-12-14-21(15-13-19)34-30(37)26-18-24-23-10-5-6-11-25(23)33-27(24)28(35(26)31(34)38)20-8-7-9-22(17-20)39-2/h5-15,17,26,28,33H,3-4,16,18H2,1-2H3,(H,32,36)/t26-,28?/m0/s1	C31H30N4O4	522.594	8	2	94.74	6	8	1	-2.5164	4.72318000000001	3.99	5.797	60.9616	151.8217	3.89990000000001	471.867214422381
Cond-003074	NPD316	NPD316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.308481361	COc1cc2c([nH]c3c2CCNC3c2cc(COc3c(cccc3)C3CCCCC3)c(OC)cc2)cc1	InChI=1S/C32H36N2O3/c1-35-24-13-14-28-27(19-24)26-16-17-33-31(32(26)34-28)22-12-15-29(36-2)23(18-22)20-37-30-11-7-6-10-25(30)21-8-4-3-5-9-21/h6-7,10-15,18-19,21,31,33-34H,3-5,8-9,16-17,20H2,1-2H3	C32H36N2O3	496.64	5	2	55.51	6	7	1	-1.529	7.88468	4.43	7.786	60.566	153.7217	3.9115	466.288828033753
Cond-003075	NPD3160	NPD3160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0780950997	[C@H]12C=Cc3c(ccc(C)c3)N1[C@H](C(=O)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]12C(=O)Nc2c1cccc2	InChI=1S/C33H32N2O3/c1-19(2)17-22-10-12-23(13-11-22)31(37)29-30(21(4)36)35-27-15-9-20(3)18-24(27)14-16-28(35)33(29)25-7-5-6-8-26(25)34-32(33)38/h5-16,18-19,28-30H,17H2,1-4H3,(H,34,38)/t28-,29+,30-,33-/m1/s1	C33H32N2O3	504.619	5	1	66.48	6	5	1	0.142600000000001	6.12659000000001	4.54	8.207	74.2618	151.8302	3.92340000000001	486.57543655722
Cond-003076	NPD3161	NPD3161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7595092025	CCCn1c(O)nc(O)c(C2N(CC)CCc3c2[nH]c2ccccc32)c1=O	InChI=1S/C20H24N4O3/c1-3-10-24-19(26)15(18(25)22-20(24)27)17-16-13(9-11-23(17)4-2)12-7-5-6-8-14(12)21-16/h5-8,17,21,25H,3-4,9-11H2,1-2H3,(H,22,27)	C20H24N4O3	368.43	7	3	92.16	4	4	0	-0.0955999999999991	2.66276	2.89	2.499	67.609	108.1966	2.7665	335.152826443685
Cond-003077	NPD3162	NPD3162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.556475977	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCC1CCCO1	InChI=1S/C25H32N4O4/c1-15(2)13-20(22(30)26-14-16-7-6-12-33-16)29-23(31)25(3)21-18(10-11-28(25)24(29)32)17-8-4-5-9-19(17)27-21/h4-5,8-9,15-16,20,27H,6-7,10-14H2,1-3H3,(H,26,30)/t16?,20-,25-/m0/s1	C25H32N4O4	452.546	8	2	94.74	5	7	0	-1.4705	2.72938	3.33	2.816	85.1321	127.4677	3.4211	418.06651757278
Cond-003078	NPD3163	NPD3163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.196834817	COc1c(OC)cc2c(CCN3C2=CC(c2cc(Br)ccc2)C2=C3CCCC2=O)c1	InChI=1S/C25H24BrNO3/c1-29-23-12-16-9-10-27-20-7-4-8-22(28)25(20)19(15-5-3-6-17(26)11-15)13-21(27)18(16)14-24(23)30-2/h3,5-6,11-14,19H,4,7-10H2,1-2H3	C25H24BrNO3	466.367	4	0	40.46	5	3	1	0.649099999999998	5.19013000000001	3.66	5.153	74.3481	121.539	3.152	379.396711823686
Cond-003079	NPD3165	NPD3165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3932403301	Cc1c2oc(=O)c(CCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C31H30N2O6/c1-16-19(11-12-27(34)33-25(30(35)36)13-18-15-32-24-9-5-3-7-20(18)24)31(37)39-28-17(2)29-23(14-22(16)28)21-8-4-6-10-26(21)38-29/h3,5,7,9,14-15,25,32H,4,6,8,10-13H2,1-2H3,(H,33,34)(H,35,36)/t25-/m0/s1	C31H30N2O6	526.58	8	3	121.63	6	8	0	-0.435099999999998	5.50707000000001	3.99	4.617	77.4974	153.4065	3.8607	470.090606107969
Cond-003080	NPD3166	NPD3166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.0600902081	COc1c(cccc1)c1coc2cc(OC(=O)c3ccc4OCOc4c3)ccc2c1=O	InChI=1S/C24H16O7/c1-27-19-5-3-2-4-16(19)18-12-28-21-11-15(7-8-17(21)23(18)25)31-24(26)14-6-9-20-22(10-14)30-13-29-20/h2-12H,13H2,1H3	C24H16O7	416.38	7	0	80.29	5	5	1	-1.1123	5.54735	3.33	5.097	36.3849	118.0375	2.8421	359.071878711929
Cond-003081	NPD3167	NPD3167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0792079208	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(Nc3ccc(Cl)cc3)c(=O)cc12)NC(=O)C	InChI=1S/C27H27ClN2O5/c1-15(31)29-21-11-5-16-13-24(33-2)26(34-3)27(35-4)25(16)19-10-12-22(23(32)14-20(19)21)30-18-8-6-17(28)7-9-18/h6-10,12-14,21H,5,11H2,1-4H3,(H,29,31)(H,30,32)/t21-/m0/s1	C27H27ClN2O5	494.967	7	2	85.89	4	7	0	-0.5375	5.20885000000001	3.55	3.871	88.018	138.1324	3.621	456.476884776775
Cond-003082	NPD3168	NPD3168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.288272533	COc1c(OC)cc(CCN2COc3c(C2)cc2c(oc(=O)c4c2cccc4)c3C)cc1	InChI=1S/C26H25NO5/c1-16-24-18(13-21-19-6-4-5-7-20(19)26(28)32-25(16)21)14-27(15-31-24)11-10-17-8-9-22(29-2)23(12-17)30-3/h4-9,12-13H,10-11,14-15H2,1-3H3	C26H25NO5	431.48	6	0	57.23	5	5	1	0.590700000000001	5.0596	3.66	5.369	49.0526	127.169	3.1923	392.353072172308
Cond-003083	NPD3169	NPD3169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9962758319	[C@H]1(Cc2c(CN1C(=O)COc1ccc3c(C)cc(=O)oc3c1C)[nH]c1ccccc21)C(=O)OC	InChI=1S/C26H24N2O6/c1-14-10-24(30)34-25-15(2)22(9-8-16(14)25)33-13-23(29)28-12-20-18(11-21(28)26(31)32-3)17-6-4-5-7-19(17)27-20/h4-10,21,27H,11-13H2,1-3H3/t21-/m0/s1	C26H24N2O6	460.479	8	1	97.93	5	6	0	-0.1246	3.71478000000001	3.44	3.496	68.1307	130.506	3.3078	409.503600380236
Cond-003084	NPD317	NPD317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3036714375	CCCCOC(=O)COc1cc2c(cc1)c(=O)c(c(C)o2)c1cc2c(OCCCO2)cc1	InChI=1S/C25H26O7/c1-3-4-10-30-23(26)15-31-18-7-8-19-21(14-18)32-16(2)24(25(19)27)17-6-9-20-22(13-17)29-12-5-11-28-20/h6-9,13-14H,3-5,10-12,15H2,1-2H3	C25H26O7	438.47	7	0	80.29	4	8	0	-1.6861	6.12985000000001	3.44	4.506	65.6049	125.7695	3.2206	407.533698140997
Cond-003085	NPD3170	NPD3170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4778600986	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C26H25NO6/c1-4-14(2)24(25(29)30)27-23(28)11-18-15(3)17-10-19-20(16-8-6-5-7-9-16)13-32-21(19)12-22(17)33-26(18)31/h5-10,12-14,24H,4,11H2,1-3H3,(H,27,28)(H,29,30)/t14-,24+/m1/s1	C26H25NO6	447.48	7	2	105.84	4	8	1	-0.6268	5.39827000000001	3.55	5.519	61.1697	128.6435	3.3166	410.863298872869
Cond-003086	NPD3171	NPD3171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8655420491	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(F)cc1	InChI=1S/C29H26FN3O3/c1-3-36-25-13-10-19(16-26(25)35-2)27-28-22(21-6-4-5-7-23(21)32-28)17-24(33-27)29(34)31-15-14-18-8-11-20(30)12-9-18/h4-13,16-17,32H,3,14-15H2,1-2H3,(H,31,34)	C29H26FN3O3	483.533	6	2	76.24	5	9	1	-0.1615	6.24727000000001	3.88	6.362	39.7034	145.6137	3.5859	425.012275813026
Cond-003087	NPD3173	NPD3173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.5912728895	Cc1c(CC(=O)NCC2CC[C@@H](CC2)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C26H31NO6/c1-14-17-9-19-20(26(2,3)4)13-32-21(19)11-22(17)33-25(31)18(14)10-23(28)27-12-15-5-7-16(8-6-15)24(29)30/h9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,30)/t15?,16-	C26H31NO6	453.527	7	2	105.84	4	7	0	1.773	5.37207000000001	3.55	4.027	88.5719	128.0955	3.4456	429.672674975269
Cond-003088	NPD3174	NPD3174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.932953102	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(F)cc1)c1ccccc1	InChI=1S/C32H23FN4O3/c33-20-14-16-21(17-15-20)34-30(38)23-11-5-7-13-26(23)37-31(39)27-18-24-22-10-4-6-12-25(22)35-28(24)29(36(27)32(37)40)19-8-2-1-3-9-19/h1-17,27,29,35H,18H2,(H,34,38)/t27-,29?/m0/s1	C32H23FN4O3	530.548	7	2	85.51	7	5	1	-1.4718	6.17617000000001	4.1	8.026	38.0842	152.6247	3.76220000000001	455.274696394792
Cond-003089	NPD3175	NPD3175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9901562539	CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O)C(=O)O	InChI=1S/C26H30N2O7/c1-4-13(2)24(25(31)32)28-23(30)12-27-22(29)10-17-14(3)16-9-18-15-7-5-6-8-19(15)34-21(18)11-20(16)35-26(17)33/h9,11,13,24H,4-8,10,12H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)/t13-,24+/m1/s1	C26H30N2O7	482.526	9	3	134.94	4	10	0	-1.7214	3.60396000000001	3.33	2.868	88.3136	134.1382	3.5611	446.823203183197
Cond-003090	NPD3176	NPD3176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8918111178	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccccc1C(=O)N[C@H](C(C)O)C(=O)O)c1ccc(cc1)C(C)C	InChI=1S/C33H32N4O6/c1-17(2)19-12-14-20(15-13-19)29-28-23(21-8-4-6-10-24(21)34-28)16-26-31(40)37(33(43)36(26)29)25-11-7-5-9-22(25)30(39)35-27(18(3)38)32(41)42/h4-15,17-18,26-27,29,34,38H,16H2,1-3H3,(H,35,39)(H,41,42)/t18?,26-,27+,29?/m0/s1	C33H32N4O6	580.63	10	4	143.04	6	8	1	-2.2349	4.13738000000001	3.99	6.371	73.8828	162.9098	4.25610000000001	521.403178374436
Cond-003091	NPD3177	NPD3177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.619047619	CCC(C)[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2c3c(cccc3)C(=O)N12)C(=O)O	InChI=1S/C30H34N4O5/c1-5-16(4)24(30(38)39)33-28(36)23(15(2)3)32-27(35)22-14-20-17-10-8-9-13-21(17)31-25(20)26-18-11-6-7-12-19(18)29(37)34(22)26/h6-13,15-16,22-24,26,31H,5,14H2,1-4H3,(H,32,35)(H,33,36)(H,38,39)/t16?,22-,23-,24-,26?/m0/s1	C30H34N4O5	530.615	9	4	131.6	5	10	0	-2.5543	3.19348000000001	3.77	4.814	82.6889	149.0467	4.01230000000001	491.890832599475
Cond-003092	NPD3178	NPD3178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3013955323	COc1ccc(cc1OC)C1Cc2c(c(C)c(o2)C(=O)OC(C)C)C(=O)C1	InChI=1S/C21H24O6/c1-11(2)26-21(23)20-12(3)19-15(22)8-14(10-18(19)27-20)13-6-7-16(24-4)17(9-13)25-5/h6-7,9,11,14H,8,10H2,1-5H3	C21H24O6	372.412	6	0	74.97	3	6	0	-0.1273	3.75191	3.11	3.132	60.8032	103.2885	2.7929	347.188909039369
Cond-003093	NPD3179	NPD3179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6106297366	COc1cc(c(OC)cc1)c1c(C)c2ccc([O-])c(C[NH+]3CCCCCC3)c2oc1=O	InChI=1S/C25H29NO5/c1-16-18-9-10-21(27)20(15-26-12-6-4-5-7-13-26)24(18)31-25(28)23(16)19-14-17(29-2)8-11-22(19)30-3/h8-11,14,27H,4-7,12-13,15H2,1-3H3	C25H29NO5	423.501	6	1	72.26	4	5	0	-2.8313	4.01457000000001	3.55	3.605	60.0868	122.6287	3.246	403.586463648841
Cond-003094	NPD318	NPD318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.0891089109	CCOC(=O)COc1cc2c(cc1)c(=O)c(c1csc(n1)c1ccccc1)c(C)o2	InChI=1S/C23H19NO5S/c1-3-27-20(25)12-28-16-9-10-17-19(11-16)29-14(2)21(22(17)26)18-13-30-23(24-18)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3	C23H19NO5S	421.466	6	0	102.96	4	7	1	0.343300000000001	6.26465	3.22	5.616	51.3806	121.9005	2.9987	368.694142352307
Cond-003095	NPD3180	NPD3180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6330903576	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)N1CC(=Nc2ccccc12)O	InChI=1S/C22H21N5O5/c28-19(11-24-22(32)27-12-20(29)25-16-7-3-4-8-18(16)27)26-17(21(30)31)9-13-10-23-15-6-2-1-5-14(13)15/h1-8,10,17,23H,9,11-12H2,(H,24,32)(H,25,29)(H,26,28)(H,30,31)/t17-/m0/s1	C22H21N5O5	435.433	10	5	147.12	4	9	0	-2.5026	2.67956	2.78	2.063	53.692	124.435	3.0935	376.876174501508
Cond-003096	NPD3181	NPD3181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.1336127083	COC(=O)[C@H](CCSC)NC(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C17H26N2O5S/c1-22-14-6-5-12(11-15(14)23-2)7-9-18-17(21)19-13(8-10-25-4)16(20)24-3/h5-6,11,13H,7-10H2,1-4H3,(H2,18,19,21)/t13-/m0/s1	C17H26N2O5S	370.464	7	2	111.19	1	13	1	-0.193499999999998	1.43819	2.45	2.295	70.1634	101.4414	2.8369	350.603123112474
Cond-003097	NPD3182	NPD3182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9752720079	COc1cc(OC)c(cc1)c1cc2ccc([O-])c(C[NH+]3CCCC(C)C3)c2oc1=O	InChI=1S/C24H27NO5/c1-15-5-4-10-25(13-15)14-20-21(26)9-6-16-11-19(24(27)30-23(16)20)18-8-7-17(28-2)12-22(18)29-3/h6-9,11-12,15,26H,4-5,10,13-14H2,1-3H3	C24H27NO5	409.475	6	1	72.26	4	5	0	-2.0247	3.48037000000001	3.44	3.482	60.0571	117.9417	3.1051	386.290479022974
Cond-003098	NPD3183	NPD3183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5486956951	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(C2=O)c1ccc(OC(=O)C)cc1	InChI=1S/C30H23ClN4O5/c1-15(36)40-19-9-7-18(8-10-19)35-27(37)25-24(12-16-14-32-22-5-3-2-4-20(16)22)34-30(26(25)28(35)38)21-13-17(31)6-11-23(21)33-29(30)39/h2-11,13-14,24-26,32,34H,12H2,1H3,(H,33,39)/t24?,25-,26+,30?/m1/s1	C30H23ClN4O5	554.98	9	3	120.6	7	5	0	-2.1331	4.88597000000001	3.66	4.047	61.5657	154.4184	3.78850000000001	463.579606865908
Cond-003099	NPD3184	NPD3184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.235050037	Cc1c(C)c2cc3c(oc(=O)c(CC(=O)N[C@@H](C(=O)NCC(=O)O)c4ccccc4)c3C)cc2o1	InChI=1S/C26H24N2O7/c1-13-15(3)34-20-11-21-18(9-17(13)20)14(2)19(26(33)35-21)10-22(29)28-24(16-7-5-4-6-8-16)25(32)27-12-23(30)31/h4-9,11,24H,10,12H2,1-3H3,(H,27,32)(H,28,29)(H,30,31)/t24-/m1/s1	C26H24N2O7	476.478	9	3	134.94	4	9	0	-0.2786	3.00412	3.33	3.542	67.0622	131.2662	3.4321	428.013827080797
Cond-003100	NPD3185	NPD3185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.704801423	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)O	InChI=1S/C19H23N3O5S/c1-9(14(23)21-10(2)18(26)27)20-15(24)13-19(3,4)28-17-12-8-6-5-7-11(12)16(25)22(13)17/h5-10,13,17H,1-4H3,(H,20,24)(H,21,23)(H,26,27)/t9-,10+,13+,17?/m0/s1	C19H23N3O5S	405.468	8	3	141.11	3	7	0	-1.196	1.02179	2.56	1.879	76.0486	106.1207	2.9153	366.206017769174
Cond-003101	NPD3186	NPD3186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.593032846	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)NCC1CCCO1	InChI=1S/C29H32N4O4S/c1-38-14-12-23(27(34)30-16-17-7-6-13-37-17)32-28(35)24-15-21-18-8-4-5-11-22(18)31-25(21)26-19-9-2-3-10-20(19)29(36)33(24)26/h2-5,8-11,17,23-24,26,31H,6-7,12-16H2,1H3,(H,30,34)(H,32,35)/t17?,23-,24-,26?/m0/s1	C29H32N4O4S	532.654	8	3	128.83	6	10	0	-2.9678	2.75949	3.66	4.351	81.912	150.2144	3.9106	474.593645330647
Cond-003102	NPD3187	NPD3187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1993499458	[C@@H]12CCC3=C/C(=N/OCC(=O)NC(CO)C(=O)O)/CC[C@]3(C)C1CC[C@]1(C)C(CCC21)C(=O)C	InChI=1S/C26H38N2O6/c1-15(30)19-6-7-20-18-5-4-16-12-17(28-34-14-23(31)27-22(13-29)24(32)33)8-10-25(16,2)21(18)9-11-26(19,20)3/h12,18-22,29H,4-11,13-14H2,1-3H3,(H,27,31)(H,32,33)/b28-17+/t18-,19?,20?,21?,22?,25-,26+/m0/s1	C26H38N2O6	474.59	8	3	125.29	4	8	0	-0.760900000000001	3.39847	3.44	3.612	124.6064	131.0443	3.6744	470.378811285836
Cond-003103	NPD3188	NPD3188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.158522811	Cc1c(F)cc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C24H18FNO3/c1-15-7-8-17(11-21(15)25)26-13-20-22(28-14-26)10-9-18-19(12-23(27)29-24(18)20)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3	C24H18FNO3	387.403	4	0	38.77	5	2	1	1.0723	5.85598	3.55	7.153	35.1529	113.553	2.7678	343.611749668958
Cond-003104	NPD3189	NPD3189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0288162188	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NC(C)CC)c1ccccc1	InChI=1S/C30H28N4O3/c1-3-18(2)31-28(35)21-14-8-10-16-24(21)34-29(36)25-17-22-20-13-7-9-15-23(20)32-26(22)27(33(25)30(34)37)19-11-5-4-6-12-19/h4-16,18,25,27,32H,3,17H2,1-2H3,(H,31,35)/t18?,25-,27?/m0/s1	C30H28N4O3	492.568	7	2	85.51	6	6	1	-2.1873	4.71298000000001	3.99	6.976	55.3186	145.2477	3.70030000000001	445.781003095953
Cond-003105	NPD319	NPD319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.926444834	C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)OC(=O)C	InChI=1S/C26H33FO7/c1-14-10-20-19-7-6-17-11-18(30)8-9-23(17,4)25(19,27)22(34-16(3)29)12-24(20,5)26(14,32)21(31)13-33-15(2)28/h8-9,11,14,19-20,22,32H,6-7,10,12-13H2,1-5H3/t14-,19?,20?,22?,23+,24+,25+,26+/m1/s1	C26H33FO7	476.534	7	1	106.97	4	6	0	-0.185799999999999	3.12357	3.44	2.189	119.5983	121.7418	3.5082	460.60661771957
Cond-003106	NPD3190	NPD3190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7521574042	Nc1nc2c(nc(SCc3ccccc3Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1	InChI=1S/C17H18BrN5O5S/c18-8-4-2-1-3-7(8)6-29-17-20-10-13(21-16(19)22-14(10)27)23(17)15-12(26)11(25)9(5-24)28-15/h1-4,9,11-12,15,24-26H,5-6H2,(H3,19,21,22,27)/t9-,11-,12-,15-/m1/s1	C17H18BrN5O5S	484.324	10	6	185.07	4	5	0	-1.2484	2.14586	2.01	1.365	58.1858	113.4278	2.8995	338.734729210541
Cond-003107	NPD3191	NPD3191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.429673475	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)CC	InChI=1S/C32H32N4O3/c1-3-19(2)33-30(37)26(17-20-11-5-4-6-12-20)35-31(38)27-18-24-21-13-9-10-16-25(21)34-28(24)29-22-14-7-8-15-23(22)32(39)36(27)29/h4-16,19,26-27,29,34H,3,17-18H2,1-2H3,(H,33,37)(H,35,38)/t19?,26-,27-,29?/m0/s1	C32H32N4O3	520.621	7	3	94.3	6	9	1	-2.8004	3.86859000000001	4.21	7.533	63.5057	153.2734	3.98210000000001	480.372972347686
Cond-003108	NPD3192	NPD3192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.8377931303	CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(C=C)cc3)ccc2c1=O	InChI=1S/C27H24O5/c1-4-19-10-12-20(13-11-19)17-30-21-14-15-22-25(16-21)31-18(3)27(26(22)28)32-24-9-7-6-8-23(24)29-5-2/h4,6-16H,1,5,17H2,2-3H3	C27H24O5	428.476	5	0	53.99	4	8	1	0.205300000000001	6.56685	3.88	8.25	51.3788	128.26	3.256	405.735837889208
Cond-003109	NPD3193	NPD3193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.9139806015	Cc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1	InChI=1S/C27H25NO3/c1-17-9-11-24(18(2)13-17)28-15-23-25(30-16-28)12-10-21-19(3)22(27(29)31-26(21)23)14-20-7-5-4-6-8-20/h4-13H,14-16H2,1-3H3	C27H25NO3	411.492	4	0	38.77	5	3	1	2.2439	6.38411000000001	3.99	8.112	48.7406	126.72	3.1728	389.432144696252
Cond-003110	NPD3194	NPD3194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	24.3342218679	COc1ccc(CCn2cnc3c(n(C)c4ccc(C)cc34)c2=O)cc1OC	InChI=1S/C22H23N3O3/c1-14-5-7-17-16(11-14)20-21(24(17)2)22(26)25(13-23-20)10-9-15-6-8-18(27-3)19(12-15)28-4/h5-8,11-13H,9-10H2,1-4H3	C22H23N3O3	377.436	6	0	56.06	4	5	0	0.2521	3.85309	3.22	3.861	52.8849	113.875	2.8625	342.575118085652
Cond-003111	NPD3195	NPD3195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4634085835	CCCC(NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1C)C(=O)O	InChI=1S/C21H21NO6/c1-3-6-16(20(24)25)22-18(23)11-27-17-10-9-14-13-7-4-5-8-15(13)21(26)28-19(14)12(17)2/h4-5,7-10,16H,3,6,11H2,1-2H3,(H,22,23)(H,24,25)	C21H21NO6	383.395	7	2	101.93	3	8	0	-1.3614	3.7356	3	4.162	47.6804	108.7395	2.8067	352.912751845935
Cond-003112	NPD3196	NPD3196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8936338084	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cccc4CC)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C27H30N4O6/c1-4-15-6-5-7-16-23(15)29-26(35)27(16)22-21(17(30-27)13-20(28)32)24(33)31(25(22)34)11-10-14-8-9-18(36-2)19(12-14)37-3/h5-9,12,17,21-22,30H,4,10-11,13H2,1-3H3,(H2,28,32)(H,29,35)/t17?,21-,22+,27?/m1/s1	C27H30N4O6	506.55	10	4	140.06	5	8	0	-2.5677	1.59758	3.33	1.433	82.2054	136.5208	3.6913	462.329564123236
Cond-003113	NPD3198	NPD3198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.6727556249	COc1c(OC)c2c(cc1)C1N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C2=O	InChI=1S/C26H21ClN2O3/c1-31-20-12-11-17-22(25(20)32-2)26(30)29-13-18(14-7-9-15(27)10-8-14)21-16-5-3-4-6-19(16)28-23(21)24(17)29/h3-12,18,24,28H,13H2,1-2H3	C26H21ClN2O3	444.91	5	1	54.56	6	3	0	-0.487600000000001	5.1558	3.66	4.989	42.6717	126.414	3.14550000000001	375.087529348185
Cond-003114	NPD3199	NPD3199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.745266484	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NCc3cnccc3)c2C)c1)c1ccccc1	InChI=1S/C27H22N2O4/c1-16-11-22-25(26-24(16)21(15-32-26)19-8-4-3-5-9-19)17(2)20(27(31)33-22)12-23(30)29-14-18-7-6-10-28-13-18/h3-11,13,15H,12,14H2,1-2H3,(H,29,30)	C27H22N2O4	438.475	6	1	81.43	5	6	1	0.527	5.18269	3.77	5.589	43.4963	128.5897	3.2453	393.04621420338
Cond-003115	NPD32	NPD32	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.945930684	CC(=O)N[C@H]1[C@H](OCc2cc(Br)ccc2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C21H26BrNO9/c1-11(24)23-18-20(31-14(4)27)19(30-13(3)26)17(10-28-12(2)25)32-21(18)29-9-15-6-5-7-16(22)8-15/h5-8,17-21H,9-10H2,1-4H3,(H,23,24)/t17-,18-,19-,20-,21-/m1/s1	C21H26BrNO9	516.336	10	1	126.46	2	12	1	-0.334100000000001	1.51619	2.56	2.244	86.045	115.4247	3.3524	427.096427027585
Cond-003116	NPD320	NPD320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7635486617	COc1ccc(cc1OC)C1(CNC(=O)/C=C\c2ccccc2)CCOCC1	InChI=1S/C23H27NO4/c1-26-20-10-9-19(16-21(20)27-2)23(12-14-28-15-13-23)17-24-22(25)11-8-18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3,(H,24,25)/b11-8-	C23H27NO4	381.465	5	1	56.79	3	8	1	-0.3552	3.63278	3.44	5.601	59.5964	111.9437	3.0141	372.560726397347
Cond-003117	NPD3200	NPD3200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.339988661	COc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(F)cc1	InChI=1S/C27H22FN3O2/c1-33-24-9-5-3-7-20(24)25-26-21(19-6-2-4-8-22(19)30-26)16-23(31-25)27(32)29-15-14-17-10-12-18(28)13-11-17/h2-13,16,30H,14-15H2,1H3,(H,29,32)	C27H22FN3O2	439.481	5	2	67.01	5	7	1	-0.360099999999999	5.84857	3.77	6.594	28.0938	134.4447	3.24540000000001	381.630079860731
Cond-003118	NPD3201	NPD3201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.314831886	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(OCC)cc1)c1cc(Cl)ccc1	InChI=1S/C34H27ClN4O4/c1-2-43-23-16-14-22(15-17-23)36-32(40)25-11-4-6-13-28(25)39-33(41)29-19-26-24-10-3-5-12-27(24)37-30(26)31(38(29)34(39)42)20-8-7-9-21(35)18-20/h3-18,29,31,37H,2,19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.0086	7.08917000000001	4.21	7.509	54.4369	168.8457	4.20740000000001	507.800401267214
Cond-003119	NPD3202	NPD3202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6142427381	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1c(C)ccc(C)c1	InChI=1S/C24H24N4O3/c1-13-8-9-14(2)18(12-13)28-23(30)19(22(29)26-24(28)31)21-20-16(10-11-27(21)3)15-6-4-5-7-17(15)25-20/h4-9,12,21,25,29H,10-11H2,1-3H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	2	0	1.1631	3.70510000000001	3.33	4.273	60.7969	123.4736	3.0925	373.170930143952
Cond-003120	NPD3203	NPD3203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.2499151268	O=C1/C(=C/C2=Cc3c(OC2)cccc3)/Oc2cc(OCc3ccccc3)ccc12	InChI=1S/C25H18O4/c26-25-21-11-10-20(27-15-17-6-2-1-3-7-17)14-23(21)29-24(25)13-18-12-19-8-4-5-9-22(19)28-16-18/h1-14H,15-16H2/b24-13-	C25H18O4	382.408	4	0	44.76	5	4	1	-0.4097	5.07376	3.77	6.935	38.3725	113.166	2.8069	349.997183236113
Cond-003121	NPD3204	NPD3204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.916686169	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C23H28N4O6/c1-11(2)17(19(29)25-16(12(3)28)20(30)31)27-21(32)23(4)18-14(9-10-26(23)22(27)33)13-7-5-6-8-15(13)24-18/h5-8,11-12,16-17,24,28H,9-10H2,1-4H3,(H,25,29)(H,30,31)/t12?,16-,17-,23-/m0/s1	C23H28N4O6	456.492	10	4	143.04	4	7	0	-1.8251	0.99428	2.89	0.919	82.819	122.1143	3.3223	410.775001722169
Cond-003122	NPD3205	NPD3205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5567651633	COc1cc(NC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)c(OC)cc1	InChI=1S/C24H23NO6/c1-12-11-30-22-14(3)23-17(9-16(12)22)13(2)18(24(27)31-23)10-21(26)25-19-8-15(28-4)6-7-20(19)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)	C24H23NO6	421.443	7	1	87	4	6	0	1.0538	5.3794	3.33	3.036	58.9178	119.0007	3.0778	378.907788321935
Cond-003123	NPD3206	NPD3206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.2111629514	NC(=O)c1c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cccc1	InChI=1S/C24H18N2O5/c25-24(29)18-8-4-5-9-20(18)26-22(27)14-30-16-10-11-17-19(15-6-2-1-3-7-15)13-23(28)31-21(17)12-16/h1-13H,14H2,(H2,25,29)(H,26,27)	C24H18N2O5	414.41	7	3	107.72	4	7	1	-1.5511	4.30576	3.33	5.934	36.3792	119.1676	2.9899	373.204945727141
Cond-003124	NPD3207	NPD3207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.484359434	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12	InChI=1S/C30H29NO6S/c1-19-23-13-14-26(20(2)28(23)37-30(35)24(19)15-21-9-5-3-6-10-21)36-16-27(32)31-25(29(33)34)18-38-17-22-11-7-4-8-12-22/h3-14,25H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t25-/m0/s1	C30H29NO6S	531.619	7	2	127.23	4	12	2	0.951900000000002	5.29939000000001	3.88	8.313	71.1579	151.9355	3.9577	493.283344032336
Cond-003125	NPD3208	NPD3208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	17.603960396	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(Br)cc3C)cc12	InChI=1S/C26H22BrNO4/c1-15-10-19(27)6-9-23(15)28-13-18-11-22-21(17-4-7-20(30-3)8-5-17)12-24(29)32-26(22)16(2)25(18)31-14-28/h4-12H,13-14H2,1-3H3	C26H22BrNO4	492.361	5	0	48	5	3	1	2.0716	6.57071	3.66	6.241	55.6974	131.753	3.2656	400.210005748513
Cond-003126	NPD3209	NPD3209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4011634983	CCCCc1cc(=O)oc2c(C)c(OC(=O)C(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12	InChI=1S/C29H29NO6S/c1-4-5-9-22-18-26(31)36-28-20(3)25(17-16-24(22)28)35-29(32)27(21-10-7-6-8-11-21)30-37(33,34)23-14-12-19(2)13-15-23/h6-8,10-18,27,30H,4-5,9H2,1-3H3	C29H29NO6S	519.609	7	1	107.15	4	10	1	-0.288600000000002	6.14070000000001	3.77	8.325	63.6627	139.9277	3.8598	478.623818107269
Cond-003127	NPD321	NPD321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1317370982	COC(=O)CCCC1C2SCC(NC(=O)c3ccccc3)(C2=O)C2(O)C(CSC12)NC(=O)c1ccccc1	InChI=1S/C28H30N2O6S2/c1-36-21(31)14-8-13-19-22-23(32)27(16-38-22,30-26(34)18-11-6-3-7-12-18)28(35)20(15-37-24(19)28)29-25(33)17-9-4-2-5-10-17/h2-7,9-12,19-20,22,24,35H,8,13-16H2,1H3,(H,29,33)(H,30,34)	C28H30N2O6S2	554.678	8	3	172.4	5	11	2	-1.9095	2.69179	3.44	6.122	89.2334	149.3842	3.95960000000001	494.650076447969
Cond-003128	NPD3211	NPD3211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9145213946	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(C2=O)c1ccc(CCCC)cc1	InChI=1S/C26H27ClN4O4/c1-3-4-5-14-6-8-15(9-7-14)31-23(33)20-18(12-19(28)32)30-26(21(20)24(31)34)16-10-13(2)11-17(27)22(16)29-25(26)35/h6-11,18,20-21,30H,3-5,12H2,1-2H3,(H2,28,32)(H,29,35)/t18?,20-,21+,26?/m1/s1	C26H27ClN4O4	494.97	8	4	121.6	5	6	0	-2.1142	3.5857	3.33	3.788	75.7643	134.0598	3.5554	442.66419386668
Cond-003129	NPD3212	NPD3212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.196254427	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC	InChI=1S/C32H32N4O3/c1-2-3-17-33-30(37)26(18-20-11-5-4-6-12-20)35-31(38)27-19-24-21-13-9-10-16-25(21)34-28(24)29-22-14-7-8-15-23(22)32(39)36(27)29/h4-16,26-27,29,34H,2-3,17-19H2,1H3,(H,33,37)(H,35,38)/t26-,27-,29?/m0/s1	C32H32N4O3	520.621	7	3	94.3	6	10	1	-3.0777	3.87019000000001	4.21	7.642	61.8329	153.2954	3.9821	480.372972347686
Cond-003130	NPD3213	NPD3213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.8824055222	COc1cc(OC)c2c(oc(=O)c(CC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c2C)c1	InChI=1S/C25H24N2O7/c1-13-17(25(31)34-21-10-15(32-2)9-20(33-3)23(13)21)11-22(28)27-19(24(29)30)8-14-12-26-18-7-5-4-6-16(14)18/h4-7,9-10,12,19,26H,8,11H2,1-3H3,(H,27,28)(H,29,30)/t19-/m0/s1	C25H24N2O7	464.467	9	3	126.95	4	9	0	-0.831	3.55506	3.22	2.613	65.002	129.6765	3.3342	413.35430115573
Cond-003131	NPD3214	NPD3214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.860814767	C[C@@]12CN3C[C@](CN(C1)C3c1c(O)ccc3ccccc13)(c1ccccc1)C2=O	InChI=1S/C25H24N2O2/c1-24-13-26-15-25(23(24)29,18-8-3-2-4-9-18)16-27(14-24)22(26)21-19-10-6-5-7-17(19)11-12-20(21)28/h2-12,22,28H,13-16H2,1H3/t22?,24-,25+	C25H24N2O2	384.47	4	1	43.78	3	2	1	-0.616699999999999	4.02029000000001	3.77	5.543	46.476	117.884	2.9095	349.963167652924
Cond-003132	NPD3215	NPD3215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8342520765	COCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C20H23NO5/c1-11-13(3)25-17-10-18-16(9-15(11)17)12(2)14(20(23)26-18)5-6-19(22)21-7-8-24-4/h9-10H,5-8H2,1-4H3,(H,21,22)	C20H23NO5	357.4	6	1	77.77	3	7	0	0.988700000000001	3.25691	3	1.956	66.1222	102.5137	2.6931	332.099457921107
Cond-003133	NPD3217	NPD3217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	30.3284280285	CCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Br)cc1	InChI=1S/C24H24BrN3O2/c1-3-12-27-14-20(29)28-13-18(15-8-10-16(25)11-9-15)21-17-6-4-5-7-19(17)26-22(21)24(28,2)23(27)30/h4-11,18,26H,3,12-14H2,1-2H3/t18?,24-/m0/s1	C24H24BrN3O2	466.37	5	1	56.41	5	3	0	-1.0962	4.22599	3.44	4.356	61.1872	123.497	3.152	375.304020913591
Cond-003134	NPD3218	NPD3218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1394194989	CC(C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O	InChI=1S/C21H26N2O7/c1-10(2)18(20(26)27)23-16(24)8-22-17(25)9-29-15-7-6-14-11(3)12(4)21(28)30-19(14)13(15)5/h6-7,10,18H,8-9H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)/t18-/m1/s1	C21H26N2O7	418.44	9	3	131.03	2	10	0	0.260200000000001	2.25489	2.78	1.313	81.1124	113.4632	3.1168	398.592656156263
Cond-003135	NPD3219	NPD3219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.590648032	COc1c(OC)cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)c3)C2=O)cc1	InChI=1S/C30H26N2O8/c1-37-24-10-7-17(11-26(24)38-2)12-27-29(34)21-9-8-19(14-25(21)40-27)39-16-28(33)32-23(30(35)36)13-18-15-31-22-6-4-3-5-20(18)22/h3-12,14-15,23,31H,13,16H2,1-2H3,(H,32,33)(H,35,36)/b27-12-/t23-/m0/s1	C30H26N2O8	542.536	10	3	136.18	5	11	1	-2.2461	4.96825	3.66	4.401	63.5731	153.764	3.85980000000001	477.458616182425
Cond-003136	NPD322	NPD322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2778993435	[C@@H](C)(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)OCc1ccccc1	InChI=1S/C26H32N4O8/c1-16(29-25(36)20(27)13-17-7-9-19(31)10-8-17)24(35)28-14-22(32)30-21(11-12-23(33)34)26(37)38-15-18-5-3-2-4-6-18/h2-10,16,20-21,31H,11-15,27H2,1H3,(H,28,35)(H,29,36)(H,30,32)(H,33,34)/t16-,20?,21?/m0/s1	C26H32N4O8	528.554	12	7	197.15	2	18	3	-4.2465	-0.12971	3	1.861	80.0897	137.9261	3.9506	497.046950300092
Cond-003137	NPD3220	NPD3220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2708933718	COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@]34C)c3ccc(cc3)C(=O)Nc3cc4c(OCO4)cc3)c2c1	InChI=1S/C29H24N4O6/c1-29-25-20(21-14-19(37-2)8-9-22(21)31-25)11-12-32(29)28(36)33(27(29)35)18-6-3-16(4-7-18)26(34)30-17-5-10-23-24(13-17)39-15-38-23/h3-10,13-14,31H,11-12,15H2,1-2H3,(H,30,34)/t29-/m0/s1	C29H24N4O6	524.524	10	2	113.2	7	5	0	-1.7391	5.04906	3.55	3.405	57.613	148.4757	3.6269	442.499239870969
Cond-003138	NPD3221	NPD3221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1896820874	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)cc2oc1=O)C(=O)O	InChI=1S/C24H29NO6/c1-7-12(2)21(22(27)28)25-20(26)9-15-13(3)14-8-16-17(24(4,5)6)11-30-18(16)10-19(14)31-23(15)29/h8,10-12,21H,7,9H2,1-6H3,(H,25,26)(H,27,28)/t12-,21+/m1/s1	C24H29NO6	427.49	7	2	105.84	3	8	0	0.929400000000001	4.98037000000001	3.33	4.295	80.2965	121.0235	3.2724	407.437164424336
Cond-003139	NPD3223	NPD3223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.136011485	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(C)c1c2	InChI=1S/C25H23NO7/c1-12-14(3)32-21-11-22-18(9-17(12)21)13(2)19(25(31)33-22)10-23(28)26-20(24(29)30)8-15-4-6-16(27)7-5-15/h4-7,9,11,20,27H,8,10H2,1-3H3,(H,26,28)(H,29,30)/t20-/m0/s1	C25H23NO7	449.453	8	3	126.07	4	7	0	0.160099999999999	3.62191000000001	3.33	3.132	62.4887	124.3883	3.2344	402.357540947563
Cond-003140	NPD3224	NPD3224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3732432566	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O	InChI=1S/C25H24N4O6/c1-11-3-5-14-21(12(11)2)27-24(33)25(14)20-19(15(28-25)8-18(26)30)22(31)29(23(20)32)9-13-4-6-16-17(7-13)35-10-34-16/h3-7,15,19-20,28H,8-10H2,1-2H3,(H2,26,30)(H,27,33)/t15?,19-,20+,25?/m1/s1	C25H24N4O6	476.481	10	4	140.06	6	4	0	-2.0453	0.97622	3.11	0.756	71.2478	124.1458	3.3009	415.381136170702
Cond-003141	NPD3225	NPD3225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5510198999	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCN1CCOCC1)c1cc(OC)ccc1	InChI=1S/C33H33N5O5/c1-42-24-6-4-5-22(19-24)30-29-26(25-7-2-3-8-27(25)35-29)20-28-32(40)37(33(41)38(28)30)23-11-9-21(10-12-23)31(39)34-13-14-36-15-17-43-18-16-36/h2-12,19,28,30,35H,13-18,20H2,1H3,(H,34,39)/t28-,30?/m0/s1	C33H33N5O5	579.646	10	2	107.21	7	8	0	-2.0746	3.25528000000001	3.99	3.9	77.3178	164.1727	4.2316	513.889711882041
Cond-003142	NPD3226	NPD3226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.472041099	C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)O	InChI=1S/C26H22N2O5/c1-15(26(32)33)27-25(31)21(14-16-8-3-2-4-9-16)28-24(30)20-13-7-12-19-22(20)17-10-5-6-11-18(17)23(19)29/h2-13,15,21H,14H2,1H3,(H,27,31)(H,28,30)(H,32,33)/t15-,21-/m0/s1	C26H22N2O5	442.463	7	3	112.57	4	9	1	-1.9737	3.11069	3.55	6.321	44.858	126.0782	3.27170000000001	407.796914978874
Cond-003143	NPD3227	NPD3227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9433664927	COC(=O)COc1ccc2C(=O)/C(=C/C3=Cc4c(OC3C)cccc4)/Oc2c1	InChI=1S/C22H18O6/c1-13-15(9-14-5-3-4-6-18(14)27-13)10-20-22(24)17-8-7-16(11-19(17)28-20)26-12-21(23)25-2/h3-11,13H,12H2,1-2H3/b20-10-	C22H18O6	378.375	6	0	71.06	4	5	0	-0.6226	4.54085	3.22	4.256	54.7951	107.5365	2.6962	344.219058862035
Cond-003144	NPD3228	NPD3228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0802858135	COc1ccc(Br)cc1C1N2C[C@@]3(C)CN1C[C@@](C)(C2)C3	InChI=1S/C17H23BrN2O/c1-16-7-17(2)10-19(8-16)15(20(9-16)11-17)13-6-12(18)4-5-14(13)21-3/h4-6,15H,7-11H2,1-3H3/t15?,16-,17+	C17H23BrN2O	351.281	3	0	15.71	1	2	0	2.0426	3.7182	2.89	3.337	64.5834	88.961	2.3738	284.420352529396
Cond-003145	NPD3229	NPD3229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.198326892	CSCC[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1ccccc1)C(=O)O	InChI=1S/C23H21N3O3S/c1-30-12-11-18(23(28)29)26-22(27)19-13-16-15-9-5-6-10-17(15)24-21(16)20(25-19)14-7-3-2-4-8-14/h2-10,13,18,24H,11-12H2,1H3,(H,26,27)(H,28,29)/t18-/m0/s1	C23H21N3O3S	419.496	6	3	120.38	4	8	1	-1.0356	4.92997000000001	3.22	5.747	42.3976	127.566	3.0809	362.207209367519
Cond-003146	NPD323	NPD323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5247524752	CCCc1cc2c(oc(CC)c(c2=O)c2ccc3OCCOc3c2)cc1OC(=O)CC	InChI=1S/C25H26O6/c1-4-7-15-12-17-21(14-20(15)31-23(26)6-3)30-18(5-2)24(25(17)27)16-8-9-19-22(13-16)29-11-10-28-19/h8-9,12-14H,4-7,10-11H2,1-3H3	C25H26O6	422.47	6	0	71.06	4	7	1	-1.2935	6.67565000000001	3.55	5.072	67.2795	124.3285	3.1619	398.743471440436
Cond-003147	NPD3230	NPD3230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.205424288	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(C)c(C)c1)c1ccc(OC)cc1	InChI=1S/C35H30N4O4/c1-20-12-15-23(18-21(20)2)36-33(40)26-9-5-7-11-29(26)39-34(41)30-19-27-25-8-4-6-10-28(25)37-31(27)32(38(30)35(39)42)22-13-16-24(43-3)17-14-22/h4-18,30,32,37H,19H2,1-3H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O4	570.637	8	2	94.74	7	6	1	-0.7193	6.10171000000001	4.43	7.847	55.5317	166.4987	4.22590000000001	509.885318122647
Cond-003148	NPD3231	NPD3231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6534981026	COc1c(CNC(=O)C(NC(=O)C2CCN(CC2)C(=O)C(N)CC(C)C)C(C)C)cccc1	InChI=1S/C25H40N4O4/c1-16(2)14-20(26)25(32)29-12-10-18(11-13-29)23(30)28-22(17(3)4)24(31)27-15-19-8-6-7-9-21(19)33-5/h6-9,16-18,20,22H,10-15,26H2,1-5H3,(H,27,31)(H,28,30)	C25H40N4O4	460.609	8	4	113.76	2	13	1	-2.3048	2.51409	3.33	2.81	97.0768	133.1578	3.7899	468.672352375981
Cond-003149	NPD3232	NPD3232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3828903855	CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C23H25N3O5/c1-14(2)12-18(22(29)30)24-20(27)19(13-15-8-4-3-5-9-15)26-21(28)16-10-6-7-11-17(16)25-23(26)31/h3-11,14,18-19H,12-13H2,1-2H3,(H,24,27)(H,25,31)(H,29,30)/t18-,19-/m1/s1	C23H25N3O5	423.462	8	3	115.81	3	9	1	-1.0491	3.73508	3.11	5.528	59.7755	118.0717	3.1864	398.071556112641
Cond-003150	NPD3234	NPD3234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8395719288	[C@@H]12CC3=CCCC(C)[C@@]3(C)C(O)[C@@H]1C(CN1Cc3cc(OC)c(OC)cc3CC1C)C(=O)O2	InChI=1S/C27H37NO5/c1-15-7-6-8-19-12-23-24(25(29)27(15,19)3)20(26(30)33-23)14-28-13-18-11-22(32-5)21(31-4)10-17(18)9-16(28)2/h8,10-11,15-16,20,23-25,29H,6-7,9,12-14H2,1-5H3/t15?,16?,20?,23-,24-,25?,27-/m1/s1	C27H37NO5	455.586	6	1	68.23	5	4	0	0.1445	3.55598000000001	3.77	2.97	102.7179	127.4108	3.5482	444.631350302175
Cond-003151	NPD3235	NPD3235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1635784021	CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12	InChI=1S/C23H23NO6/c1-2-3-7-16-12-21(26)30-19-13-17(10-11-18(16)19)29-14-20(25)24-22(23(27)28)15-8-5-4-6-9-15/h4-6,8-13,22H,2-3,7,14H2,1H3,(H,24,25)(H,27,28)/t22-/m0/s1	C23H23NO6	409.432	7	2	101.93	3	10	1	-1.7755	3.71097	3.22	5.28	56.0671	113.4995	3.0455	384.868262396869
Cond-003152	NPD3236	NPD3236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7174455059	Cc1coc2c3c(oc(=O)c(CC(=O)NCCN4CCOCC4)c3C)cc(C)c12	InChI=1S/C22H26N2O5/c1-13-10-17-20(21-19(13)14(2)12-28-21)15(3)16(22(26)29-17)11-18(25)23-4-5-24-6-8-27-9-7-24/h10,12H,4-9,11H2,1-3H3,(H,23,25)	C22H26N2O5	398.452	7	1	81.01	4	6	0	1.0861	2.57181	3.11	1.256	77.0765	110.8507	2.9661	365.331728680208
Cond-003153	NPD3237	NPD3237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0237099024	CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)NC(Cc3ccccc3)C(=O)O)ccc12	InChI=1S/C25H27NO6/c1-4-8-18-14-22(27)32-23-15(2)21(12-11-19(18)23)31-16(3)24(28)26-20(25(29)30)13-17-9-6-5-7-10-17/h5-7,9-12,14,16,20H,4,8,13H2,1-3H3,(H,26,28)(H,29,30)	C25H27NO6	437.485	7	2	101.93	3	10	1	-0.687100000000002	4.50399000000001	3.44	6.129	68.1825	124.9735	3.3273	419.460231648602
Cond-003154	NPD3238	NPD3238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5918965096	CSCC[C@H](NC(=O)Cc1c(C)c2c(oc1=O)cc1occ(c1c2)c1ccc(Br)cc1)C(=O)O	InChI=1S/C25H22BrNO6S/c1-13-16-9-18-19(14-3-5-15(26)6-4-14)12-32-21(18)11-22(16)33-25(31)17(13)10-23(28)27-20(24(29)30)7-8-34-2/h3-6,9,11-12,20H,7-8,10H2,1-2H3,(H,27,28)(H,29,30)/t20-/m0/s1	C25H22BrNO6S	544.414	7	2	131.14	4	9	0	0.7818	5.86777000000001	3.22	4.645	73.5372	139.8875	3.5142	431.359957282169
Cond-003155	NPD3239	NPD3239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4697391433	CCCCc1cc(=O)oc2c3CN(Cc4c(OC)cccc4)COc3ccc12	InChI=1S/C23H25NO4/c1-3-4-7-16-12-22(25)28-23-18(16)10-11-21-19(23)14-24(15-27-21)13-17-8-5-6-9-20(17)26-2/h5-6,8-12H,3-4,7,13-15H2,1-2H3	C23H25NO4	379.449	5	0	48	4	6	1	-0.551900000000001	5.52387000000001	3.44	5.226	57.3936	114.699	2.9055	360.204267696547
Cond-003156	NPD324	NPD324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.5929020943	CCc1cc(c2n[nH]cc2c2cc3c(OCO3)cc2)c(O)cc1OC1OC(CO)C(O)C(O)C1O	InChI=1S/C24H26N2O9/c1-2-11-5-13(20-14(8-25-26-20)12-3-4-16-18(6-12)33-10-32-16)15(28)7-17(11)34-24-23(31)22(30)21(29)19(9-27)35-24/h3-8,19,21-24,27-31H,2,9-10H2,1H3,(H,25,26)	C24H26N2O9	486.471	11	6	166.75	5	6	1	-3.0837	1.90617000000001	2.89	1.62	58.6651	129.7622	3.33110000000001	409.191687332586
Cond-003157	NPD3240	NPD3240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0748847642	COc1cc(OC)c(CNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc1	InChI=1S/C23H25NO7/c1-13-17(23(26)31-20-10-16(28-3)9-19(30-5)22(13)20)11-21(25)24-12-14-6-7-15(27-2)8-18(14)29-4/h6-10H,11-12H2,1-5H3,(H,24,25)	C23H25NO7	427.447	8	1	92.32	3	9	0	-0.1681	3.88797	3.11	2.228	65.6383	119.5977	3.1472	396.29494779823
Cond-003158	NPD3241	NPD3241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.53016815	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)Nc3ccc(CCO)cc3)c12	InChI=1S/C25H27NO6/c1-15-12-22(29)31-24-18-8-10-25(2,3)32-19(18)13-20(23(15)24)30-14-21(28)26-17-6-4-16(5-7-17)9-11-27/h4-7,12-13,27H,8-11,14H2,1-3H3,(H,26,28)	C25H27NO6	437.485	7	2	94.09	4	7	0	0.2906	5.31765000000001	3.44	3.583	70.8727	126.6585	3.2617	409.740231648602
Cond-003159	NPD3242	NPD3242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.870615782	COc1cc(OC)c(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccccc1	InChI=1S/C28H25N3O3/c1-33-19-12-13-21(25(16-19)34-2)26-27-22(20-10-6-7-11-23(20)30-27)17-24(31-26)28(32)29-15-14-18-8-4-3-5-9-18/h3-13,16-17,30H,14-15H2,1-2H3,(H,29,32)	C28H25N3O3	451.516	6	2	76.24	5	8	1	-0.8916	5.71807000000001	3.88	7.035	34.5371	141.0387	3.42730000000001	401.648732336853
Cond-003160	NPD3243	NPD3243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1579284675	CCC(NC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O)C(=O)O	InChI=1S/C23H27NO6/c1-7-17(21(26)27)24-18(25)9-14-11(2)13-8-15-16(23(4,5)6)10-29-19(15)12(3)20(13)30-22(14)28/h8,10,17H,7,9H2,1-6H3,(H,24,25)(H,26,27)	C23H27NO6	413.464	7	2	105.84	3	7	0	1.438	4.37229000000001	3.22	3.541	77.2633	115.4995	3.1315	390.141179798469
Cond-003161	NPD3244	NPD3244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1195985156	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)Nc1ccc(F)cc1)c1ccc(OC)cc1	InChI=1S/C33H25FN4O4/c1-42-24-16-8-19(9-17-24)30-29-26(25-4-2-3-5-27(25)36-29)18-28-32(40)37(33(41)38(28)30)23-14-6-20(7-15-23)31(39)35-22-12-10-21(34)11-13-22/h2-17,28,30,36H,18H2,1H3,(H,35,39)/t28-,30?/m0/s1	C33H25FN4O4	560.574	8	2	94.74	7	6	1	-1.5236	6.18477000000001	4.1	6.738	45.4	159.1767	3.96180000000001	481.36090772122
Cond-003162	NPD3245	NPD3245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6405928366	COc1ccc(CCN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2c(OC)cccc2)cc1	InChI=1S/C31H31N3O4/c1-31-29-28(23-9-4-6-10-25(23)32-29)24(22-8-5-7-11-26(22)38-3)18-34(31)27(35)19-33(30(31)36)17-16-20-12-14-21(37-2)15-13-20/h4-15,24,32H,16-19H2,1-3H3/t24?,31-/m0/s1	C31H31N3O4	509.596	7	1	74.87	6	6	1	-1.5963	4.31339000000001	4.1	5.097	62.8612	148.756	3.8431	463.506912915014
Cond-003163	NPD3246	NPD3246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5067122285	COc1ccc(CNC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1OC	InChI=1S/C25H25NO6/c1-13-12-31-23-15(3)24-18(9-17(13)23)14(2)19(25(28)32-24)10-22(27)26-11-16-6-7-20(29-4)21(8-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27)	C25H25NO6	435.469	7	1	87	4	7	0	1.0654	4.11751	3.44	2.979	63.63	121.2187	3.2187	396.203772947802
Cond-003164	NPD3247	NPD3247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.928240176	COc1ccc(cc1)c1cc(=O)oc2c1ccc(OC(C)C(=O)NC[C@H]1CCC(CC1)C(=O)O)c2C	InChI=1S/C28H31NO7/c1-16-24(35-17(2)27(31)29-15-18-4-6-20(7-5-18)28(32)33)13-12-22-23(14-25(30)36-26(16)22)19-8-10-21(34-3)11-9-19/h8-14,17-18,20H,4-7,15H2,1-3H3,(H,29,31)(H,32,33)/t17?,18-,20?	C28H31NO7	493.548	8	2	111.16	4	9	0	0.1133	4.95589000000001	3.66	4.456	82.5782	138.5425	3.7001	467.781953525964
Cond-003165	NPD3248	NPD3248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.505425158	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCCCn3ccnc3)c(C)c1c2	InChI=1S/C22H23N3O4/c1-13-15(3)28-19-11-20-17(9-16(13)19)14(2)18(22(27)29-20)10-21(26)24-5-4-7-25-8-6-23-12-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,24,26)	C22H23N3O4	393.436	7	1	86.36	4	7	0	0.703300000000001	3.50721	3.11	2.255	59.7506	112.8647	2.9212	351.365344786213
Cond-003166	NPD3249	NPD3249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.954845009	CC(Oc1cc(OC(C)C(=O)C)c2c(=O)c3c(oc2c1)cccc3)C(=O)C	InChI=1S/C21H20O6/c1-11(22)13(3)25-15-9-18(26-14(4)12(2)23)20-19(10-15)27-17-8-6-5-7-16(17)21(20)24/h5-10,13-14H,1-4H3	C21H20O6	368.38	6	0	78.9	3	6	0	-1.4455	4.20508	3.11	3.172	50.1871	103.015	2.7069	341.915991637768
Cond-003167	NPD325	NPD325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.660525401	C[C@]12CCC3C(CCC4=C/C(=N\OCC(=O)N5CCCC5C(=O)O)/CC[C@]34C)C1CCC2O	InChI=1S/C26H38N2O5/c1-25-11-9-17(27-33-15-23(30)28-13-3-4-21(28)24(31)32)14-16(25)5-6-18-19-7-8-22(29)26(19,2)12-10-20(18)25/h14,18-22,29H,3-13,15H2,1-2H3,(H,31,32)/b27-17-/t18?,19?,20?,21?,22?,25-,26-/m0/s1	C26H38N2O5	458.59	7	2	99.43	5	5	0	-1.5323	4.06807000000001	3.55	3.778	117.8953	128.5986	3.5501	451.868584585275
Cond-003168	NPD3250	NPD3250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.051418571	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C28H33N3O5S/c1-16(2)14-20(23(32)30-21(27(35)36)15-17-10-6-5-7-11-17)29-24(33)22-28(3,4)37-26-19-13-9-8-12-18(19)25(34)31(22)26/h5-13,16,20-22,26H,14-15H2,1-4H3,(H,29,33)(H,30,32)(H,35,36)/t20-,21-,22+,26?/m0/s1	C28H33N3O5S	523.644	8	3	141.11	4	11	2	-0.407700000000002	3.27079	3.55	6.579	87.8362	144.3737	3.94580000000001	490.704044598775
Cond-003169	NPD3251	NPD3251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7246492387	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)c(Cl)ccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(C)cc1	InChI=1S/C30H26ClN3O3/c1-16-9-11-18(12-10-16)26(35)24-23-8-5-15-34(23)30(20-13-14-21(31)17(2)25(20)33-28(30)37)29(24)19-6-3-4-7-22(19)32-27(29)36/h3-4,6-7,9-14,23-24H,5,8,15H2,1-2H3,(H,32,36)(H,33,37)/t23-,24-,29+,30+/m0/s1	C30H26ClN3O3	511.999	6	2	78.51	7	2	1	-0.9061	5.55832	3.99	5.121	62.2252	142.9969	3.6573	451.175310658219
Cond-003170	NPD3252	NPD3252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0262793914	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C29H32N4O5/c1-14(2)22(27(35)32-23(15(3)4)29(37)38)31-26(34)21-13-19-16-9-7-8-12-20(16)30-24(19)25-17-10-5-6-11-18(17)28(36)33(21)25/h5-12,14-15,21-23,25,30H,13H2,1-4H3,(H,31,34)(H,32,35)(H,37,38)/t21-,22-,23+,25?/m0/s1	C29H32N4O5	516.588	9	4	131.6	5	9	0	-1.8781	2.80338	3.66	4.245	79.6111	144.4297	3.87140000000001	474.594847973608
Cond-003171	NPD3253	NPD3253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.692109011	OC(=O)[C@H](CSCNC(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C28H26N4O6S/c33-24(19-11-5-2-6-12-19)29-17-39-16-22(27(36)37)30-25(34)23(15-18-9-3-1-4-10-18)32-26(35)20-13-7-8-14-21(20)31-28(32)38/h1-14,22-23H,15-17H2,(H,29,33)(H,30,34)(H,31,38)(H,36,37)/t22-,23-/m0/s1	C28H26N4O6S	546.594	10	4	173.7	4	13	2	-1.3515	3.12088	3.33	7.116	66.2719	151.127	3.93230000000001	489.045196704303
Cond-003172	NPD3254	NPD3254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3505003661	Cc1c(CCC(=O)NCc2ncccc2)c(=O)oc2c(C)c(O)ccc12	InChI=1S/C20H20N2O4/c1-12-15-6-8-17(23)13(2)19(15)26-20(25)16(12)7-9-18(24)22-11-14-5-3-4-10-21-14/h3-6,8,10,23H,7,9,11H2,1-2H3,(H,22,24)	C20H20N2O4	352.384	6	2	88.52	3	6	0	0.2832	3.70199	3	2.311	49.3072	102.7717	2.6482	329.033074027113
Cond-003173	NPD3255	NPD3255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0810197742	COc1cc2c([nH]c3c2CCNC3c2c(O)n(Cc3cc(OC)cc(OC)c3)c(=O)nc2O)cc1	InChI=1S/C25H26N4O6/c1-33-14-4-5-19-18(11-14)17-6-7-26-22(21(17)27-19)20-23(30)28-25(32)29(24(20)31)12-13-8-15(34-2)10-16(9-13)35-3/h4-5,8-11,22,26-27,31H,6-7,12H2,1-3H3,(H,28,30,32)	C25H26N4O6	478.497	10	4	128.64	5	6	0	-1.4468	2.40696000000001	3.11	2.141	70.9576	132.8403	3.4095	416.837594871502
Cond-003174	NPD3256	NPD3256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	30.7192395364	COc1ccc(cc1OC)C(=O)Oc1ccc2C(=O)/C(=C/C3=Cc4ccccc4OC3)/Oc2c1	InChI=1S/C27H20O7/c1-30-22-10-7-18(13-24(22)31-2)27(29)33-19-8-9-20-23(14-19)34-25(26(20)28)12-16-11-17-5-3-4-6-21(17)32-15-16/h3-14H,15H2,1-2H3/b25-12-	C27H20O7	456.443	7	0	80.29	5	6	1	-0.4619	5.57145	3.66	5.473	52.9645	129.7135	3.2218	408.32337388873
Cond-003175	NPD3257	NPD3257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7563412387	O=C(Oc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1)c1ccc2OCOc2c1	InChI=1S/C24H14O8/c25-23-16-4-3-15(31-24(26)14-2-6-18-21(9-14)30-12-28-18)10-19(16)32-22(23)8-13-1-5-17-20(7-13)29-11-27-17/h1-10H,11-12H2/b22-8-	C24H14O8	430.363	8	0	89.52	6	4	0	-1.0934	5.76824	3.22	4.757	37.8473	119.6695	2.7922	355.50564671169
Cond-003176	NPD3258	NPD3258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.0908344799	OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O	InChI=1S/C28H24N4O5/c33-25(30-23(27(35)36)14-17-8-2-1-3-9-17)24(15-18-16-29-21-12-6-4-10-19(18)21)32-26(34)20-11-5-7-13-22(20)31-28(32)37/h1-13,16,23-24,29H,14-15H2,(H,30,33)(H,31,37)(H,35,36)/t23-,24-/m1/s1	C28H24N4O5	496.514	9	4	131.6	5	9	1	-2.2356	4.33627000000001	3.55	5.957	49.2213	142.0927	3.60150000000001	438.489487245341
Cond-003177	NPD3259	NPD3259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7163569135	CCOC(=O)C(CC#CCN1CCCCC1c1cccnc1)C(=O)OCC	InChI=1S/C21H28N2O4/c1-3-26-20(24)18(21(25)27-4-2)11-5-7-14-23-15-8-6-12-19(23)17-10-9-13-22-16-17/h9-10,13,16,18-19H,3-4,6,8,11-12,14-15H2,1-2H3	C21H28N2O4	372.458	6	0	68.73	2	9	0	0.4121	2.71688	3.11	3.099	73.9591	103.371	2.9837	374.85843475538
Cond-003178	NPD326	NPD326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7468702006	CN1C(=O)N(C)C(=O)C(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)(Cc2ccc(C)s2)C1=O	InChI=1S/C24H28N4O4S/c1-15-7-8-18(33-15)10-24(21(30)25(2)23(32)26(3)22(24)31)14-27-11-16-9-17(13-27)19-5-4-6-20(29)28(19)12-16/h4-8,16-17H,9-14H2,1-3H3/t16-,17-/m1/s1	C24H28N4O4S	468.569	8	0	109.48	5	4	0	-0.431499999999998	1.18799	3.11	0.579	111.6692	121.526	3.4007	427.543098303714
Cond-003179	NPD3261	NPD3261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2156013001	COc1ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c(=O)oc2c1OC	InChI=1S/C24H25NO7S/c1-14-16-9-10-19(30-2)22(31-3)21(16)32-24(29)17(14)11-20(26)25-18(23(27)28)13-33-12-15-7-5-4-6-8-15/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H25NO7S	471.523	8	2	136.46	3	11	1	0.1408	3.50167	3.11	4.205	74.0545	128.0485	3.4086	429.463497780897
Cond-003180	NPD3262	NPD3262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.6239146614	COc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccnc1	InChI=1S/C25H20N4O2/c1-31-22-11-5-3-9-18(22)23-24-19(17-8-2-4-10-20(17)28-24)13-21(29-23)25(30)27-15-16-7-6-12-26-14-16/h2-14,28H,15H2,1H3,(H,27,30)	C25H20N4O2	408.452	6	2	79.9	5	6	0	-1.0954	4.72247	3.55	4.881	22.7695	126.6587	3.04570000000001	351.967311966858
Cond-003181	NPD3263	NPD3263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4813786951	Cc1c2oc(=O)c(CCC(=O)NC(C(=O)O)c3ccccc3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C28H27NO6/c1-15-18(12-13-23(30)29-24(27(31)32)17-8-4-3-5-9-17)28(33)35-25-16(2)26-21(14-20(15)25)19-10-6-7-11-22(19)34-26/h3-5,8-9,14,24H,6-7,10-13H2,1-2H3,(H,29,30)(H,31,32)	C28H27NO6	473.517	7	2	105.84	5	7	1	-0.0771000000000011	4.89138000000001	3.77	5.238	69.332	134.5475	3.4898	433.098809423802
Cond-003182	NPD3264	NPD3264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7617071725	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O	InChI=1S/C27H28N4O5/c1-13(2)21(25(33)28-14(3)27(35)36)30-24(32)20-12-18-15-8-6-7-11-19(15)29-22(18)23-16-9-4-5-10-17(16)26(34)31(20)23/h4-11,13-14,20-21,23,29H,12H2,1-3H3,(H,28,33)(H,30,32)(H,35,36)/t14-,20+,21+,23?/m1/s1	C27H28N4O5	488.535	9	4	131.6	5	8	0	-2.3997	2.16728	3.44	3.59	71.242	135.2657	3.58960000000001	440.002878721875
Cond-003183	NPD3265	NPD3265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.9267314291	Cc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CC(C)(C)NC(C)(C)C1	InChI=1S/C28H32N4O/c1-17-10-12-18(13-11-17)24-25-21(20-8-6-7-9-22(20)30-25)14-23(31-24)26(33)29-19-15-27(2,3)32-28(4,5)16-19/h6-14,19,30,32H,15-16H2,1-5H3,(H,29,33)	C28H32N4O	440.58	5	3	69.81	5	4	1	0.815399999999999	5.79539000000001	3.99	7.102	59.3811	140.8774	3.5387	413.874415246297
Cond-003184	NPD3266	NPD3266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.3247490179	COC(=O)C(C)Oc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1C	InChI=1S/C21H18O7/c1-11-15(27-12(2)21(23)24-3)7-5-14-19(22)18(28-20(11)14)9-13-4-6-16-17(8-13)26-10-25-16/h4-9,12H,10H2,1-3H3/b18-9-	C21H18O7	382.363	7	0	80.29	4	5	0	-0.3063	3.84179	3	3.725	52.4146	104.036	2.657	338.349759637529
Cond-003185	NPD3267	NPD3267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5482073285	[C@@H]12CC3=CCCC(C)[C@@]3(C)C(O)[C@@H]1C(CN1CCN(CC1)C(=O)OCC)C(=O)O2	InChI=1S/C22H34N2O5/c1-4-28-21(27)24-10-8-23(9-11-24)13-16-18-17(29-20(16)26)12-15-7-5-6-14(2)22(15,3)19(18)25/h7,14,16-19,25H,4-6,8-13H2,1-3H3/t14?,16?,17-,18-,19?,22-/m1/s1	C22H34N2O5	406.516	7	1	79.31	4	5	0	0.488299999999997	1.56968	3.11	1.312	106.8442	109.6908	3.1381	397.677563483408
Cond-003186	NPD3268	NPD3268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.7497767157	CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C31H32N4O6/c1-19(2)26(28(37)32-24(30(39)40)17-20-11-5-3-6-12-20)34-27(36)25(18-21-13-7-4-8-14-21)35-29(38)22-15-9-10-16-23(22)33-31(35)41/h3-16,19,24-26H,17-18H2,1-2H3,(H,32,37)(H,33,41)(H,34,36)(H,39,40)/t24-,25-,26-/m0/s1	C31H32N4O6	556.609	10	4	148.4	4	13	2	-1.481	3.38368	3.77	8.298	71.9883	156.8085	4.19150000000001	522.424126524303
Cond-003187	NPD3269	NPD3269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6847977685	Cc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCc1ccccc1	InChI=1S/C28H25N3O/c1-19-10-5-6-14-21(19)26-27-23(22-15-7-8-16-24(22)30-27)18-25(31-26)28(32)29-17-9-13-20-11-3-2-4-12-20/h2-8,10-12,14-16,18,30H,9,13,17H2,1H3,(H,29,32)	C28H25N3O	419.518	4	2	57.78	5	7	1	-0.627199999999999	6.17370000000001	4.1	9.448	28.7328	136.4577	3.30990000000001	384.06827893573
Cond-003188	NPD327	NPD327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.656242182	C[C@]12CC(O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)CO	InChI=1S/C21H25FO4/c1-19-10-18(26)21(22)15(14(19)5-6-16(19)17(25)11-23)4-3-12-9-13(24)7-8-20(12,21)2/h6-9,14-15,18,23,26H,3-5,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1	C21H25FO4	360.419	4	2	74.6	4	2	0	-0.0599999999999988	2.46736	3.22	1.252	96.9909	96.3466000000001	2.6706	350.392473189353
Cond-003189	NPD3270	NPD3270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2289480107	COc1c(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Cl)ccc2)cccc1	InChI=1S/C26H20ClN3O2/c1-32-23-12-5-2-7-17(23)15-28-26(31)22-14-20-19-10-3-4-11-21(19)29-25(20)24(30-22)16-8-6-9-18(27)13-16/h2-14,29H,15H2,1H3,(H,28,31)	C26H20ClN3O2	441.909	5	2	67.01	5	6	1	-0.3511	6.53637000000001	3.66	6.373	28.3851	136.2007	3.20920000000001	373.477604154991
Cond-003190	NPD3271	NPD3271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1616848491	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C	InChI=1S/C28H32N4O3/c1-15(2)13-22(26(33)29-16(3)4)31-27(34)23-14-20-17-9-7-8-12-21(17)30-24(20)25-18-10-5-6-11-19(18)28(35)32(23)25/h5-12,15-16,22-23,25,30H,13-14H2,1-4H3,(H,29,33)(H,31,34)/t22-,23-,25?/m0/s1	C28H32N4O3	472.579	7	3	94.3	5	8	1	-1.7463	3.28189000000001	3.77	5.345	74.4483	137.9654	3.65610000000001	442.35486864742
Cond-003191	NPD3272	NPD3272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.0777047221	Cc1cc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c(C)cc1	InChI=1S/C25H21NO4/c1-16-8-9-17(2)22(12-16)26-24(27)15-29-19-10-11-20-21(18-6-4-3-5-7-18)14-25(28)30-23(20)13-19/h3-14H,15H2,1-2H3,(H,26,27)	C25H21NO4	399.439	5	1	64.63	4	6	1	0.3677	5.31761	3.66	7.431	39.9419	118.1957	3.0153	373.35040214508
Cond-003192	NPD3273	NPD3273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1800197824	Cc1c(C)c2c(OCC(=O)NCCCO)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C21H27NO6/c1-12-13(2)20(25)27-19-14-6-7-21(3,4)28-15(14)10-16(18(12)19)26-11-17(24)22-8-5-9-23/h10,23H,5-9,11H2,1-4H3,(H,22,24)	C21H27NO6	389.442	7	2	94.09	3	7	0	0.3117	3.43276000000001	3	1.743	78.4018	109.8835	2.9357	371.722127948335
Cond-003193	NPD3274	NPD3274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.7609771405	CSCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C20H26N4O6S/c1-11(2)16(19(28)29)23-17(26)14(8-9-31-3)21-15(25)10-24-18(27)12-6-4-5-7-13(12)22-20(24)30/h4-7,11,14,16H,8-10H2,1-3H3,(H,21,25)(H,22,30)(H,23,26)(H,28,29)/t14-,16-/m0/s1	C20H26N4O6S	450.509	10	4	170.21	2	12	1	-1.7872	1.97158	2.45	1.626	83.5758	119.3174	3.2803	413.008989303769
Cond-003194	NPD3275	NPD3275	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5928272098	NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C27H29N5O5S/c28-38(36,37)22-11-9-21(10-12-22)29-26(34)23(14-18-5-2-1-3-6-18)30-27(35)31-15-19-13-20(17-31)24-7-4-8-25(33)32(24)16-19/h1-12,19-20,23H,13-17H2,(H,29,34)(H,30,35)(H2,28,36,37)/t19-,20+,23+/m1/s1	C27H29N5O5S	535.615	10	4	150.29	5	9	0	-3.0614	2.46576	3.22	2.796	88.6528	138.5498	3.8529	480.408662987642
Cond-003195	NPD3276	NPD3276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4974709031	COc1c(OC)cc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C25H21NO5/c1-28-22-10-8-17(12-23(22)29-2)26-14-20-21(30-15-26)11-9-18-19(13-24(27)31-25(18)20)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3	C25H21NO5	415.438	6	0	57.23	5	4	1	-0.153000000000001	5.70606	3.55	6.194	43.4099	123.059	3.0084	372.420628845641
Cond-003196	NPD3277	NPD3277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7239421185	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)O)c1cc(OC)ccc1	InChI=1S/C27H21N3O5/c1-35-16-8-6-7-15(13-16)24-23-19(17-9-2-4-11-20(17)28-23)14-22-25(31)30(27(34)29(22)24)21-12-5-3-10-18(21)26(32)33/h2-13,22,24,28H,14H2,1H3,(H,32,33)/t22-,24?/m0/s1	C27H21N3O5	467.473	8	2	102.94	6	4	0	-1.6083	3.89148	3.55	4.868	44.3053	131.5398	3.29520000000001	400.476742411308
Cond-003197	NPD3278	NPD3278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.7194917758	CCCc1ccccc1Oc1nc(=O)n2CCc3cc(OC)c(OC)cc3c2c1	InChI=1S/C23H24N2O4/c1-4-7-15-8-5-6-9-19(15)29-22-14-18-17-13-21(28-3)20(27-2)12-16(17)10-11-25(18)23(26)24-22/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3	C23H24N2O4	392.448	6	0	60.36	4	6	1	-0.791899999999998	4.28016	3.33	5.014	61.8339	116.497	2.9623	368.564569203913
Cond-003198	NPD3279	NPD3279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9599823883	CCOC(=O)c1ccc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)cc1	InChI=1S/C20H19NO5/c1-3-25-17(22)13-8-10-15(11-9-13)21-19(24)20(2)12-14-6-4-5-7-16(14)18(23)26-20/h4-11H,3,12H2,1-2H3,(H,21,24)	C20H19NO5	353.369	6	1	81.7	3	6	0	0.0114999999999998	2.94199	3	4.522	42.8055	98.0162	2.6071	326.826540519507
Cond-003199	NPD328	NPD328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4635303828	CCc1c(OCC(=O)NC(Cc2ccccc2)C(=O)O)cc2oc(=O)cc(C)c2c1	InChI=1S/C23H23NO6/c1-3-16-11-17-14(2)9-22(26)30-20(17)12-19(16)29-13-21(25)24-18(23(27)28)10-15-7-5-4-6-8-15/h4-9,11-12,18H,3,10,13H2,1-2H3,(H,24,25)(H,27,28)	C23H23NO6	409.432	7	2	101.93	3	9	1	-0.301900000000002	3.81496	3.22	5.139	60.1978	116.6165	3.0455	384.868262396869
Cond-003200	NPD3280	NPD3280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9383199864	Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)OCc3ccccc3)ccc12	InChI=1S/C36H30N2O6/c1-23-28-17-16-27(20-33(28)44-34(39)30(23)18-24-10-4-2-5-11-24)43-35(40)32(19-26-21-37-31-15-9-8-14-29(26)31)38-36(41)42-22-25-12-6-3-7-13-25/h2-17,20-21,32,37H,18-19,22H2,1H3,(H,38,41)/t32-/m1/s1	C36H30N2O6	586.633	8	2	106.72	6	12	2	0.405099999999999	6.22877000000001	4.54	10.527	55.5581	171.6377	4.35020000000001	532.488235733302
Cond-003201	NPD3281	NPD3281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5351137488	COc1cc(c(OC)cc1)c1c(C)c2cc(OCC(=O)N)ccc2oc1=O	InChI=1S/C20H19NO6/c1-11-14-9-13(26-10-18(21)22)5-7-17(14)27-20(23)19(11)15-8-12(24-2)4-6-16(15)25-3/h4-9H,10H2,1-3H3,(H2,21,22)	C20H19NO6	369.368	7	2	97.08	3	6	0	-0.4668	2.86067	2.89	2.173	47.9264	102.2504	2.6658	335.616767220068
Cond-003202	NPD3282	NPD3282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.684296747	Clc1c(CNC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cccc1	InChI=1S/C20H17ClN2O4/c21-15-8-4-1-5-12(15)11-22-18(25)16-9-10-17(24)23(16)19-13-6-2-3-7-14(13)20(26)27-19/h1-8,16,19H,9-11H2,(H,22,25)/t16-,19?/m0/s1	C20H17ClN2O4	384.813	6	1	75.71	4	5	0	-0.8829	2.1589	2.89	3.906	45.4636	99.5187	2.662	331.887683096746
Cond-003203	NPD3283	NPD3283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7895359732	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC	InChI=1S/C32H28N4O5/c1-3-41-30(39)18-9-11-20(12-10-18)36-28(37)26-25(15-19-16-33-23-7-5-4-6-21(19)23)35-32(27(26)29(36)38)22-14-17(2)8-13-24(22)34-31(32)40/h4-14,16,25-27,33,35H,3,15H2,1-2H3,(H,34,40)/t25?,26-,27+,32?/m1/s1	C32H28N4O5	548.589	9	3	120.6	7	6	0	-1.8926	3.74570000000001	3.99	4.689	66.0183	155.4134	3.94790000000001	482.960508347208
Cond-003204	NPD3284	NPD3284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.6381444304	COc1ccc(cc1)C1CN2C(=O)CN(CCc3ccc(Cl)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H28ClN3O3/c1-30-28-27(23-5-3-4-6-25(23)32-28)24(20-9-13-22(37-2)14-10-20)17-34(30)26(35)18-33(29(30)36)16-15-19-7-11-21(31)12-8-19/h3-14,24,32H,15-18H2,1-2H3/t24?,30-/m0/s1	C30H28ClN3O3	514.015	6	1	65.64	6	5	1	-0.8002	4.95819000000001	3.99	5.426	61.161	147.214	3.7659	452.631769359019
Cond-003205	NPD3285	NPD3285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.4614559984	CCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Cl)cc1	InChI=1S/C24H24ClN3O2/c1-3-12-27-14-20(29)28-13-18(15-8-10-16(25)11-9-15)21-17-6-4-5-7-19(17)26-22(21)24(28,2)23(27)30/h4-11,18,26H,3,12-14H2,1-2H3/t18?,24-/m0/s1	C24H24ClN3O2	421.919	5	1	56.41	5	3	0	-1.2407	4.11689000000001	3.44	4.018	58.2037	120.807	3.0994	371.231469706458
Cond-003206	NPD3286	NPD3286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.460649532	CC(C)C[C@H](NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C23H29NO7/c1-12(2)8-15(22(27)28)24-18(25)11-29-17-10-16-14(6-7-23(4,5)31-16)21-20(17)13(3)9-19(26)30-21/h9-10,12,15H,6-8,11H2,1-5H3,(H,24,25)(H,27,28)/t15-/m0/s1	C23H29NO7	431.479	8	2	111.16	3	8	0	0.915299999999998	4.15956000000001	3.11	3.256	88.4058	119.5755	3.2332	412.46786519983
Cond-003207	NPD3287	NPD3287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6906044871	O=c1oc2c3CN(COc3ccc2c2c1cccc2)c1ccc(OCc2ccccc2)cc1	InChI=1S/C28H21NO4/c30-28-24-9-5-4-8-22(24)23-14-15-26-25(27(23)33-28)16-29(18-32-26)20-10-12-21(13-11-20)31-17-19-6-2-1-3-7-19/h1-15H,16-18H2	C28H21NO4	435.471	5	0	48	6	4	1	-0.3574	6.74287	3.99	8.308	26.0862	132.936	3.17780000000001	386.98897992028
Cond-003208	NPD3288	NPD3288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5520648093	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@H](CC(C)C)C(=O)O	InChI=1S/C19H24N2O4S/c1-10(2)9-13(18(24)25)20-15(22)14-19(3,4)26-17-12-8-6-5-7-11(12)16(23)21(14)17/h5-8,10,13-14,17H,9H2,1-4H3,(H,20,22)(H,24,25)/t13-,14-,17?/m1/s1	C19H24N2O4S	376.47	6	2	112.01	3	6	0	0.321800000000001	2.54329	2.78	3.616	72.2065	102.297	2.7998	349.055489561246
Cond-003209	NPD3289	NPD3289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8821088601	Cc1c(CCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1ccc(O)c2	InChI=1S/C26H26ClN3O8/c1-14-18-7-6-17(31)11-21(18)38-26(37)19(14)8-9-22(32)30-20(10-15-2-4-16(27)5-3-15)25(36)29-12-23(33)28-13-24(34)35/h2-7,11,20,31H,8-10,12-13H2,1H3,(H,28,33)(H,29,36)(H,30,32)(H,34,35)	C26H26ClN3O8	543.953	11	5	171.13	3	14	1	-1.6338	2.29748	3	1.493	84.123	141.6157	3.8216	486.268340460758
Cond-003210	NPD329	NPD329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2140060896	COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)o1	InChI=1S/C21H22O7/c1-11(2)26-21(23)19-13(4)28-17-7-6-15(9-16(17)19)25-10-14-8-18(20(22)24-5)27-12(14)3/h6-9,11H,10H2,1-5H3	C21H22O7	386.395	7	0	88.11	3	8	0	0.400600000000001	4.10392	3	3.869	54.5099	107.6095	2.8086	342.44267703913
Cond-003211	NPD3290	NPD3290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7454884879	CCc1cc(=O)oc2c(C)c3c(CN(CCc4ccc(OC)cc4)CO3)cc12	InChI=1S/C23H25NO4/c1-4-17-12-21(25)28-23-15(2)22-18(11-20(17)23)13-24(14-27-22)10-9-16-5-7-19(26-3)8-6-16/h5-8,11-12H,4,9-10,13-14H2,1-3H3	C23H25NO4	379.449	5	0	48	4	5	0	1.1149	4.59819000000001	3.44	4.347	61.1107	112.401	2.9055	360.204267696547
Cond-003212	NPD3291	NPD3291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8119101069	CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(C)C)C(=O)O	InChI=1S/C30H35N5O6/c1-5-17(4)25(29(39)40)34-27(37)24(16(2)3)33-26(36)23(14-18-15-31-21-12-8-6-10-19(18)21)35-28(38)20-11-7-9-13-22(20)32-30(35)41/h6-13,15-17,23-25,31H,5,14H2,1-4H3,(H,32,41)(H,33,36)(H,34,37)(H,39,40)/t17?,23-,24-,25-/m0/s1	C30H35N5O6	561.629	11	5	164.19	4	13	2	-2.0671	3.59167000000001	3.55	4.856	87.7685	159.4475	4.23640000000001	521.397819508203
Cond-003213	NPD3292	NPD3292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.895153314	COc1cc(c(OC)cc1)c1cc2ccc([O-])c(C[NH+]3CCOCC3)c2oc1=O	InChI=1S/C22H23NO6/c1-26-15-4-6-20(27-2)16(12-15)17-11-14-3-5-19(24)18(21(14)29-22(17)25)13-23-7-9-28-10-8-23/h3-6,11-12,24H,7-10,13H2,1-2H3	C22H23NO6	397.421	7	1	81.49	4	5	0	-2.2566	2.08067	3.11	1.921	55.2019	110.3627	2.882	360.488736471802
Cond-003214	NPD3294	NPD3294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.205817892	Cc1c(C)c2ccc(OCC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)cc2oc1=O	InChI=1S/C22H20ClNO6/c1-12-13(2)22(28)30-19-10-16(7-8-17(12)19)29-11-20(25)24-18(21(26)27)9-14-3-5-15(23)6-4-14/h3-8,10,18H,9,11H2,1-2H3,(H,24,25)(H,26,27)	C22H20ClNO6	429.85	7	2	101.93	3	8	0	0.6886	3.79527	3	3.68	59.82	114.8045	3.027	382.783345541435
Cond-003215	NPD3295	NPD3295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4559060386	CCC(NC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C25H23NO6/c1-3-20(24(28)29)26-23(27)10-9-16-14(2)17-11-18-19(15-7-5-4-6-8-15)13-31-21(18)12-22(17)32-25(16)30/h4-8,11-13,20H,3,9-10H2,1-2H3,(H,26,27)(H,28,29)	C25H23NO6	433.453	7	2	105.84	4	8	0	-0.697800000000001	5.15227000000001	3.44	4.822	57.4998	124.0965	3.1757	393.567314247002
Cond-003216	NPD3296	NPD3296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.698538019	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCC1=CCCCC1)c1ccc(C)cc1	InChI=1S/C35H34N4O3/c1-22-11-13-24(14-12-22)32-31-28(27-9-5-6-10-29(27)37-31)21-30-34(41)38(35(42)39(30)32)26-17-15-25(16-18-26)33(40)36-20-19-23-7-3-2-4-8-23/h5-7,9-18,30,32,37H,2-4,8,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H34N4O3	558.669	7	2	85.51	7	7	1	-1.0281	5.75919000000001	4.54	8.00500000000001	76.1167	164.8997	4.2532	517.268008823686
Cond-003217	NPD3297	NPD3297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.468125502	[C@H]1(Cc2c(CN1C(=O)COc1c3c(oc(=O)c(C)c3C)cc(C)c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C27H26N2O6/c1-14-9-22(25-15(2)16(3)26(31)35-23(25)10-14)34-13-24(30)29-12-20-18(11-21(29)27(32)33-4)17-7-5-6-8-19(17)28-20/h5-10,21,28H,11-13H2,1-4H3/t21-/m0/s1	C27H26N2O6	474.505	8	1	97.93	5	6	0	0.4285	3.54938000000001	3.55	3.888	72.4878	132.796	3.4487	426.799585006102
Cond-003218	NPD3298	NPD3298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.2995939314	[C@@H]12[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccc(C)cc1	InChI=1S/C27H23N3O4/c1-15-6-10-17(11-7-15)30-24(32)22-21(14-16-8-12-18(31)13-9-16)29-27(23(22)25(30)33)19-4-2-3-5-20(19)28-26(27)34/h2-13,21-23,29,31H,14H2,1H3,(H,28,34)/t21-,22+,23-,27-/m0/s1	C27H23N3O4	453.489	7	3	98.74	6	3	0	-2.1941	3.6626	3.66	4.302	49.0007	128.4372	3.27950000000001	405.222974411547
Cond-003219	NPD3299	NPD3299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5028002489	Cc1c(Cc2ccccc2)c(=O)oc2c3CN(Cc4cc(Cl)ccc4)COc3ccc12	InChI=1S/C26H22ClNO3/c1-17-21-10-11-24-23(15-28(16-30-24)14-19-8-5-9-20(27)12-19)25(21)31-26(29)22(17)13-18-6-3-2-4-7-18/h2-12H,13-16H2,1H3	C26H22ClNO3	431.911	4	0	38.77	5	4	1	1.7158	6.05577000000001	3.77	7.505	48.0642	126.068	3.1543	387.347227840819
Cond-003220	NPD33	NPD33	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7651663405	CCC12CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C1C(=C(CCC(C)CNC(=O)C)O2)C)OC(=O)C	InChI=1S/C33H51NO4/c1-8-33-18-28-26-11-10-24-17-25(37-23(5)36)13-15-31(24,6)27(26)14-16-32(28,7)30(33)21(3)29(38-33)12-9-20(2)19-34-22(4)35/h10,20,25-28,30H,8-9,11-19H2,1-7H3,(H,34,35)/t20?,25?,26?,27?,28?,30?,31-,32-,33?/m0/s1	C33H51NO4	525.762	5	1	64.63	5	9	1	0.411399999999998	7.19867000000001	4.54	6.777	147.4987	152.7217	4.3779	553.153490057613
Cond-003221	NPD3301	NPD3301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.120297441	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C)C(=O)NCCC	InChI=1S/C25H26N4O3/c1-3-12-26-23(30)14(2)27-24(31)20-13-18-15-8-6-7-11-19(15)28-21(18)22-16-9-4-5-10-17(16)25(32)29(20)22/h4-11,14,20,22,28H,3,12-13H2,1-2H3,(H,26,30)(H,27,31)/t14-,20-,22?/m0/s1	C25H26N4O3	430.499	7	3	94.3	5	7	0	-2.8008	2.25729	3.44	3.808	59.9546	124.2064	3.2334	390.466914769819
Cond-003222	NPD3302	NPD3302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.033344792	Cc1cc(=O)oc2c3CN(COc3ccc12)c1ccc(Oc2ccccc2)cc1	InChI=1S/C24H19NO4/c1-16-13-23(26)29-24-20(16)11-12-22-21(24)14-25(15-27-22)17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3	C24H19NO4	385.412	5	0	48	5	3	1	0.4385	6.95355	3.55	6.013	35.8995	118.662	2.8088	346.334417519213
Cond-003223	NPD3303	NPD3303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7456382002	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCN(Cc2ccccc2)CC1	InChI=1S/C32H32N4O3/c1-38-23-12-13-29(39-2)26(18-23)31-30-25(24-10-6-7-11-27(24)34-30)19-28(35-31)32(37)33-22-14-16-36(17-15-22)20-21-8-4-3-5-9-21/h3-13,18-19,22,34H,14-17,20H2,1-2H3,(H,33,37)	C32H32N4O3	520.621	7	2	79.48	6	8	1	-1.7372	5.80047000000001	4.21	6.651	51.6288	160.0107	3.9821	469.472972347686
Cond-003224	NPD3304	NPD3304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.1506022613	Cc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC(O)c1ccccc1	InChI=1S/C27H23N3O2/c1-17-9-5-6-12-19(17)25-26-21(20-13-7-8-14-22(20)29-26)15-23(30-25)27(32)28-16-24(31)18-10-3-2-4-11-18/h2-15,24,29,31H,16H2,1H3,(H,28,32)	C27H23N3O2	421.49	5	3	78.01	5	6	1	-0.9123	4.93340000000001	3.88	7.427	26.9183	132.3185	3.22770000000001	375.562521010425
Cond-003225	NPD3305	NPD3305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.712883436	CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc5OCOc5c4)ccc3c2=O)cc1	InChI=1S/C28H22O9/c1-3-12-32-27(30)17-4-7-19(8-5-17)36-26-16(2)35-23-14-20(9-10-21(23)25(26)29)37-28(31)18-6-11-22-24(13-18)34-15-33-22/h4-11,13-14H,3,12,15H2,1-2H3	C28H22O9	502.469	9	0	106.59	5	9	1	-1.2683	6.98464000000001	3.55	6.183	56.8687	140.263	3.4801	443.199811915719
Cond-003226	NPD3306	NPD3306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4859653405	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NCCOC	InChI=1S/C16H20N2O5S/c1-21-7-6-17-14(19)10-8-24-16-9-4-5-11(22-2)13(23-3)12(9)15(20)18(10)16/h4-5,10,16H,6-8H2,1-3H3,(H,17,19)/t10-,16?/m0/s1	C16H20N2O5S	352.405	7	1	102.4	3	7	0	-0.824500000000001	0.7182	2.34	0.0810000000000002	65.2608	92.0977	2.4788	308.594221085007
Cond-003227	NPD3307	NPD3307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.551623139	COc1c(OC)c2c(cc1)c(C)c(CC(=O)N1CCC(CC1)(C(=O)NCCCCCC(=O)O)c1ccccc1)c(=O)o2	InChI=1S/C32H38N2O8/c1-21-23-13-14-25(40-2)29(41-3)28(23)42-30(38)24(21)20-26(35)34-18-15-32(16-19-34,22-10-6-4-7-11-22)31(39)33-17-9-5-8-12-27(36)37/h4,6-7,10-11,13-14H,5,8-9,12,15-20H2,1-3H3,(H,33,39)(H,36,37)	C32H38N2O8	578.653	10	2	131.47	4	14	1	-1.6037	4.65997000000001	3.88	4.411	99.9	159.6815	4.3792	554.116420237358
Cond-003228	NPD3308	NPD3308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6116163243	COc1ccc2c(oc(=O)c(CCC(=O)N[C@@H](CC(C)C)C(=O)O)c2C)c1	InChI=1S/C20H25NO6/c1-11(2)9-16(19(23)24)21-18(22)8-7-15-12(3)14-6-5-13(26-4)10-17(14)27-20(15)25/h5-6,10-11,16H,7-9H2,1-4H3,(H,21,22)(H,23,24)/t16-/m0/s1	C20H25NO6	375.416	7	2	101.93	2	9	0	0.4697	3.33537	2.89	2.797	73.1058	103.7205	2.8604	364.146143322469
Cond-003229	NPD331	NPD331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.299412916	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)OCCCCCCC	InChI=1S/C35H60O3/c1-5-7-9-11-12-14-16-27-18-20-31-30-19-17-28-26-29(38-33(36)37-25-15-13-10-8-6-2)21-23-35(28,4)32(30)22-24-34(27,31)3/h17,27,29-32H,5-16,18-26H2,1-4H3/t27?,29-,30?,31?,32?,34+,35-/m0/s1	C35H60O3	528.849	3	0	35.53	4	16	2	-1.5247	10.33238	4.98	14.608	137.8536	160.75	4.6958	585.587848503018
Cond-003230	NPD3310	NPD3310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5274125527	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)c12	InChI=1S/C25H25NO7/c1-14-11-20(28)32-23-16-9-10-25(2,3)33-17(16)12-18(21(14)23)31-13-19(27)26-22(24(29)30)15-7-5-4-6-8-15/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,26,27)(H,29,30)/t22-/m0/s1	C25H25NO7	451.468	8	2	111.16	4	7	0	0.0867999999999988	4.14506000000001	3.33	4.306	69.6862	124.7375	3.2774	415.893999648363
Cond-003231	NPD3312	NPD3312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6767014728	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O	InChI=1S/C30H28ClN3O7/c1-40-23-8-4-15(13-24(23)41-2)9-10-34-27(37)25-20(11-16-3-7-21(35)22(36)12-16)33-30(26(25)28(34)38)18-14-17(31)5-6-19(18)32-29(30)39/h3-8,12-14,20,25-26,33,35-36H,9-11H2,1-2H3,(H,32,39)/t20?,25-,26+,30?/m1/s1	C30H28ClN3O7	578.012	10	4	137.43	6	7	0	-2.3885	3.52179	3.55	2.532	75.4744	152.083	4.00070000000001	498.692676161264
Cond-003232	NPD3313	NPD3313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.1498056823	OC(CNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1)c1ccccc1	InChI=1S/C27H21N3O4/c31-22(16-6-2-1-3-7-16)14-28-27(32)21-13-19-18-8-4-5-9-20(18)29-26(19)25(30-21)17-10-11-23-24(12-17)34-15-33-23/h1-13,22,29,31H,14-15H2,(H,28,32)	C27H21N3O4	451.473	7	3	96.47	6	6	1	-1.857	5.08016000000001	3.66	5.51	28.8883	136.5965	3.23650000000001	380.786515710747
Cond-003233	NPD3314	NPD3314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.1821758756	C[C@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C22H20N4O5/c1-12(21(29)30)24-19(27)18(10-13-11-23-16-8-4-2-6-14(13)16)26-20(28)15-7-3-5-9-17(15)25-22(26)31/h2-9,11-12,18,23H,10H2,1H3,(H,24,27)(H,25,31)(H,29,30)/t12-,18+/m0/s1	C22H20N4O5	420.418	9	4	131.6	4	7	0	-2.2467	3.11347	2.89	2.692	50.2546	117.6207	2.9937	365.879414293341
Cond-003234	NPD3315	NPD3315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4734561213	COc1c(OC)cc(cc1)C(=O)COc1ccc2C(=O)/C(=C/C3=Cc4c(OC3)cccc4)/Oc2c1	InChI=1S/C28H22O7/c1-31-24-10-7-18(13-26(24)32-2)22(29)16-33-20-8-9-21-25(14-20)35-27(28(21)30)12-17-11-19-5-3-4-6-23(19)34-15-17/h3-14H,15-16H2,1-2H3/b27-12-	C28H22O7	470.47	7	0	80.29	5	7	0	-0.990499999999999	5.11316	3.77	4.899	58.1999	132.5195	3.3627	425.619358514597
Cond-003235	NPD3317	NPD3317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0752285849	Cc1c2oc(=O)c(CC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C28H26ClNO6/c1-14-19-12-21-18-5-3-4-6-23(18)35-26(21)15(2)25(19)36-28(34)20(14)13-24(31)30-22(27(32)33)11-16-7-9-17(29)10-8-16/h7-10,12,22H,3-6,11,13H2,1-2H3,(H,30,31)(H,32,33)	C28H26ClNO6	507.962	7	2	105.84	5	7	0	0.667199999999999	5.36578000000001	3.66	4.89	74.9476	140.4695	3.6122	448.309877194236
Cond-003236	NPD3319	NPD3319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7530930086	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N[C@@H](C(C)C)C(=O)O)C2=O	InChI=1S/C22H29N3O5/c1-14(2)19(21(28)29)23-18(26)10-4-3-7-11-24-20(27)17-12-15-8-5-6-9-16(15)13-25(17)22(24)30/h5-6,8-9,14,17,19H,3-4,7,10-13H2,1-2H3,(H,23,26)(H,28,29)/t17-,19-/m0/s1	C22H29N3O5	415.483	8	2	107.02	3	10	0	-2.1107	2.05569	3	2.781	78.0321	111.9455	3.1745	399.584947589175
Cond-003237	NPD3320	NPD3320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.178322375	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NCc1c(OC)cccc1	InChI=1S/C23H26N2O5S/c1-23(2)19(20(26)24-12-13-8-6-7-9-15(13)28-3)25-21(27)17-14(22(25)31-23)10-11-16(29-4)18(17)30-5/h6-11,19,22H,12H2,1-5H3,(H,24,26)/t19-,22?/m1/s1	C23H26N2O5S	442.528	7	1	102.4	4	7	0	-0.253600000000001	3.2752	3.11	3.005	69.6044	122.8357	3.2275	398.500278662874
Cond-003238	NPD3321	NPD3321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5450260481	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(C)O)C(=O)O)c3)C2=O)c(OC)c1	InChI=1S/C23H23NO9/c1-12(25)21(23(28)29)24-20(26)11-32-15-6-7-16-18(10-15)33-19(22(16)27)8-13-4-5-14(30-2)9-17(13)31-3/h4-10,12,21,25H,11H2,1-3H3,(H,24,26)(H,28,29)/b19-8-/t12?,21-/m0/s1	C23H23NO9	457.43	10	3	140.62	3	10	0	-2.3475	2.70176	2.89	1.865	67.2689	121.9688	3.2216	411.238942498552
Cond-003239	NPD3322	NPD3322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2776532502	CCCCOc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)cccc3)c1	InChI=1S/C22H18O5/c1-2-3-10-25-15-8-9-16-17(13-21(23)26-20(16)12-15)18-11-14-6-4-5-7-19(14)27-22(18)24/h4-9,11-13H,2-3,10H2,1H3	C22H18O5	362.375	5	0	61.83	4	5	1	-0.411699999999999	4.53976	3.33	5.568	48.7585	103.691	2.6375	335.428832161474
Cond-003240	NPD3323	NPD3323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.5681707436	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)Nc1ccc(F)cc1	InChI=1S/C26H27FN4O3/c1-15(2)14-21(23(32)28-17-10-8-16(27)9-11-17)31-24(33)26(3)22-19(12-13-30(26)25(31)34)18-6-4-5-7-20(18)29-22/h4-11,15,21,29H,12-14H2,1-3H3,(H,28,32)/t21-,26-/m0/s1	C26H27FN4O3	462.516	7	2	85.51	5	6	0	-0.233500000000002	4.81207000000001	3.44	4.754	65.74	130.7567	3.392	413.830458245992
Cond-003241	NPD3324	NPD3324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.2423386802	CCCc1cc(=O)oc2c(C)c(OC(=O)C(NS(=O)(=O)c3ccc(C)cc3)C(C)CC)ccc12	InChI=1S/C26H31NO6S/c1-6-8-19-15-23(28)33-25-18(5)22(14-13-21(19)25)32-26(29)24(17(4)7-2)27-34(30,31)20-11-9-16(3)10-12-20/h9-15,17,24,27H,6-8H2,1-5H3	C26H31NO6S	485.592	7	1	107.15	3	10	1	-0.103900000000002	5.76510000000001	3.44	6.495	78.0967	130.1487	3.6747	457.901699032869
Cond-003242	NPD3325	NPD3325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.2620513192	NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)NCC(=O)O	InChI=1S/C24H25N5O7/c25-19(30)11-10-17(21(33)26-13-20(31)32)27-22(34)18(12-14-6-2-1-3-7-14)29-23(35)15-8-4-5-9-16(15)28-24(29)36/h1-9,17-18H,10-13H2,(H2,25,30)(H,26,33)(H,27,34)(H,28,36)(H,31,32)/t17-,18-/m0/s1	C24H25N5O7	495.485	12	6	191.49	3	13	2	-3.049	0.38188	2.78	2.599	68.9966	131.3319	3.5583	449.668597154364
Cond-003243	NPD3326	NPD3326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.845398773	[C@@H]12C[C@@]3(C)CCCC(=C)C3C[C@@H]1C(CN1CCN(Cc3ccccc3)CC1)C(=O)O2	InChI=1S/C26H36N2O2/c1-19-7-6-10-26(2)16-24-21(15-23(19)26)22(25(29)30-24)18-28-13-11-27(12-14-28)17-20-8-4-3-5-9-20/h3-5,8-9,21-24H,1,6-7,10-18H2,2H3/t21-,22?,23?,24-,26-/m1/s1	C26H36N2O2	408.576	4	0	32.78	5	4	1	0.1185	3.93898	3.88	5.844	93.3858	121.058	3.331	411.961445782792
Cond-003244	NPD3328	NPD3328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.821847526	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NC(C)CCc1ccccc1)c1cc(OC)ccc1	InChI=1S/C37H34N4O4/c1-23(15-16-24-9-4-3-5-10-24)38-35(42)25-17-19-27(20-18-25)40-36(43)32-22-30-29-13-6-7-14-31(29)39-33(30)34(41(32)37(40)44)26-11-8-12-28(21-26)45-2/h3-14,17-21,23,32,34,39H,15-16,22H2,1-2H3,(H,38,42)/t23?,32-,34?/m0/s1	C37H34N4O4	598.69	8	2	94.74	7	9	1	-2.228	5.94438000000001	4.65	9.164	61.6011	176.2717	4.50770000000001	544.477287374379
Cond-003245	NPD3329	NPD3329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.8347493002	CCCCc1ccc(cc1)N1COc2ccc3c4c(CCC4)c(=O)oc3c2C1	InChI=1S/C24H25NO3/c1-2-3-5-16-8-10-17(11-9-16)25-14-21-22(27-15-25)13-12-19-18-6-4-7-20(18)24(26)28-23(19)21/h8-13H,2-7,14-15H2,1H3	C24H25NO3	375.46	4	0	38.77	5	4	1	-0.763800000000001	6.53726000000001	3.66	6.355	56.863	115.817	2.8791	356.353566921052
Cond-003246	NPD333	NPD333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.082533787	C[C@]12CN3C[C@](C)(CN(C1)C3c1cn(Cc3ccccc3)c3c1cccc3)C2O	InChI=1S/C25H29N3O/c1-24-14-27-16-25(2,23(24)29)17-28(15-24)22(27)20-13-26(12-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,13,22-23,29H,12,14-17H2,1-2H3/t22?,23?,24-,25+	C25H29N3O	387.517	4	1	31.64	3	3	1	0.263500000000001	3.63770000000001	3.77	5.118	57.6402	115.0978	3.0366	357.44261856213
Cond-003247	NPD3330	NPD3330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3296513635	CCCCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12	InChI=1S/C29H33NO6/c1-2-3-9-23-16-27(31)36-26-17-24(14-15-25(23)26)35-28(32)22-12-10-20(11-13-22)18-30-29(33)34-19-21-7-5-4-6-8-21/h4-8,14-17,20,22H,2-3,9-13,18-19H2,1H3,(H,30,33)/t20-,22-	C29H33NO6	491.575	7	1	90.93	4	12	2	0.0318000000000009	6.02987000000001	3.88	7.669	80.6429	138.7777	3.7823	476.28771145127
Cond-003248	NPD3331	NPD3331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4041571009	COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1OC	InChI=1S/C23H25NO6/c1-13-8-19(29-5)22-14(2)16(23(26)30-20(22)9-13)11-21(25)24-12-15-6-7-17(27-3)18(10-15)28-4/h6-10H,11-12H2,1-5H3,(H,24,25)	C23H25NO6	411.448	7	1	83.09	3	8	0	0.525699999999999	3.35189	3.22	2.995	63.8246	114.3587	3.0885	387.504721097669
Cond-003249	NPD3332	NPD3332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1305784309	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cc(C)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1c(OC)cc(OC)cc1	InChI=1S/C32H31N3O5/c1-17-14-18(2)27-22(15-17)32(30(38)34-27)31(21-8-5-6-9-23(21)33-29(31)37)26(24-10-7-13-35(24)32)28(36)20-12-11-19(39-3)16-25(20)40-4/h5-6,8-9,11-12,14-16,24,26H,7,10,13H2,1-4H3,(H,33,37)(H,34,38)/t24-,26-,31+,32+/m0/s1	C32H31N3O5	537.606	8	2	96.97	7	4	0	-1.754	4.92212000000001	4.1	3.715	71.2412	151.0909	3.9341	488.136665540642
Cond-003250	NPD3333	NPD3333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7255483106	COc1cc(OC)c2cc(n(C)c2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C18H23N3O6/c1-9(16(22)20-10(2)18(24)25)19-17(23)14-8-12-13(21(14)3)6-11(26-4)7-15(12)27-5/h6-10H,1-5H3,(H,19,23)(H,20,22)(H,24,25)/t9-,10-/m0/s1	C18H23N3O6	377.392	9	3	118.89	2	9	0	-1.7091	1.54218	2.45	0.611	63.7716	102.4757	2.7782	340.647694487069
Cond-003251	NPD3334	NPD3334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6415620642	COc1c(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2c(C)cccc2)cccc1	InChI=1S/C27H23N3O2/c1-17-9-3-5-11-19(17)25-26-21(20-12-6-7-13-22(20)29-26)15-23(30-25)27(31)28-16-18-10-4-8-14-24(18)32-2/h3-15,29H,16H2,1-2H3,(H,28,31)	C27H23N3O2	421.49	5	2	67.01	5	6	1	-0.4534	5.96570000000001	3.88	7.233	28.2716	135.0967	3.22770000000001	375.562521010425
Cond-003252	NPD3335	NPD3335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3602151877	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@H](C)C(=O)O)c1ccc(C)cc1	InChI=1S/C30H26N4O5/c1-16-11-13-18(14-12-16)26-25-21(19-7-3-5-9-22(19)32-25)15-24-28(36)34(30(39)33(24)26)23-10-6-4-8-20(23)27(35)31-17(2)29(37)38/h3-14,17,24,26,32H,15H2,1-2H3,(H,31,35)(H,37,38)/t17-,24+,26?/m1/s1	C30H26N4O5	522.551	9	3	122.81	6	6	1	-1.6551	3.68110000000001	3.77	5.966	59.1546	146.454	3.77470000000001	460.724997796275
Cond-003253	NPD3336	NPD3336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3516991755	COc1cc(NC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)c(OC)cc1	InChI=1S/C25H27NO6/c1-14-17-10-15-8-9-25(2,3)32-21(15)13-22(17)31-24(28)18(14)12-23(27)26-19-11-16(29-4)6-7-20(19)30-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,26,27)	C25H27NO6	437.485	7	1	83.09	4	6	0	0.681899999999999	6.18155	3.44	3.801	70.9988	127.0377	3.2617	409.740231648602
Cond-003254	NPD3338	NPD3338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.5347531009	CCCOc1c(OCC)cc(cc1)C1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H37N3O4/c1-6-14-37-24-13-12-20(15-25(24)36-7-2)22-17-33-26(34)18-32(16-19(3)4)29(35)30(33,5)28-27(22)21-10-8-9-11-23(21)31-28/h8-13,15,19,22,31H,6-7,14,16-18H2,1-5H3/t22?,30-/m0/s1	C30H37N3O4	503.632	7	1	74.87	5	8	0	-1.356	4.89699000000001	3.99	4.535	84.7968	147.299	3.9398	477.376763092348
Cond-003255	NPD3339	NPD3339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2129906356	CCOc1ccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C25H21NO5/c1-2-29-19-10-8-18(9-11-19)26-24(27)16-30-20-12-13-21-22(17-6-4-3-5-7-17)15-25(28)31-23(21)14-20/h3-15H,2,16H2,1H3,(H,26,27)	C25H21NO5	415.438	6	1	73.86	4	8	1	-0.7177	5.60556	3.55	6.764	40.5473	121.8187	3.074	382.140628845641
Cond-003256	NPD334	NPD334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2501555694	COC(=O)COc1cc2c(c(OCC(=O)OC)c1)c(cc(=O)o2)c1ccccc1	InChI=1S/C21H18O8/c1-25-19(23)11-27-14-8-16(28-12-20(24)26-2)21-15(13-6-4-3-5-7-13)10-18(22)29-17(21)9-14/h3-10H,11-12H2,1-2H3	C21H18O8	398.363	8	0	97.36	3	9	0	-0.615000000000001	2.69287	2.89	4.243	51.6541	104.862	2.7813	356.859986338091
Cond-003257	NPD3340	NPD3340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8599000686	Cc1cc(OCC(=O)N2CCC(CC2)C(=O)N)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C22H26N2O5/c1-13-10-17(28-12-19(25)24-8-6-14(7-9-24)21(23)26)20-15-4-2-3-5-16(15)22(27)29-18(20)11-13/h10-11,14H,2-9,12H2,1H3,(H2,23,26)	C22H26N2O5	398.452	7	2	98.93	4	5	0	-2.1467	2.61589	3.11	1.707	75.1595	109.3404	2.9661	376.231728680208
Cond-003258	NPD3341	NPD3341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.088128564	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCCO)c(C)c1c2)c1ccccc1	InChI=1S/C25H25NO5/c1-14-18-12-20-22(17-8-5-4-6-9-17)16(3)30-24(20)15(2)23(18)31-25(29)19(14)13-21(28)26-10-7-11-27/h4-6,8-9,12,27H,7,10-11,13H2,1-3H3,(H,26,28)	C25H25NO5	419.47	6	2	88.77	4	7	0	0.229800000000001	4.31821000000001	3.55	4.645	59.4172	124.0435	3.16	387.413546247241
Cond-003259	NPD3342	NPD3342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1354736894	CCCn1c(O)nc(O)c(C2N(C)CCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C19H22N4O3/c1-3-9-23-18(25)14(17(24)21-19(23)26)16-15-12(8-10-22(16)2)11-6-4-5-7-13(11)20-15/h4-7,16,20,24H,3,8-10H2,1-2H3,(H,21,26)	C19H22N4O3	354.403	7	3	92.16	4	3	0	-0.346000000000001	2.27266	2.78	2.076	63.3152	103.5796	2.6256	317.856841817819
Cond-003260	NPD3343	NPD3343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9752938832	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NCc1cc(OC)c(OC)cc1	InChI=1S/C24H28N2O6S/c1-24(2)20(21(27)25-12-13-7-9-15(29-3)17(11-13)31-5)26-22(28)18-14(23(26)33-24)8-10-16(30-4)19(18)32-6/h7-11,20,23H,12H2,1-6H3,(H,25,27)/t20-,23?/m1/s1	C24H28N2O6S	472.554	8	1	111.63	4	8	0	-0.3054	2.7283	3.11	2.35	76.9202	127.0607	3.4271	424.586489989302
Cond-003261	NPD3344	NPD3344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9309250671	C1(CSC2N1C(=O)c1c2cccc1)C(=O)NC(C)CCc1ccccc1	InChI=1S/C21H22N2O2S/c1-14(11-12-15-7-3-2-4-8-15)22-19(24)18-13-26-21-17-10-6-5-9-16(17)20(25)23(18)21/h2-10,14,18,21H,11-13H2,1H3,(H,22,24)	C21H22N2O2S	366.477	4	1	74.71	4	6	1	-0.916999999999999	3.0759	3.22	6.298	50.9626	106.4757	2.7696	337.537629309457
Cond-003262	NPD3347	NPD3347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.473169672	CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(C)CC)C(=O)O	InChI=1S/C29H36N4O6/c1-5-17(3)23(26(35)32-24(28(37)38)18(4)6-2)31-25(34)22(16-19-12-8-7-9-13-19)33-27(36)20-14-10-11-15-21(20)30-29(33)39/h7-15,17-18,22-24H,5-6,16H2,1-4H3,(H,30,39)(H,31,34)(H,32,35)(H,37,38)/t17?,18?,22-,23-,24-/m0/s1	C29H36N4O6	536.619	10	4	148.4	3	14	2	-2.3229	3.57718000000001	3.55	6.826	87.5463	150.7345	4.14730000000001	518.99799207577
Cond-003263	NPD3348	NPD3348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.9268776173	COc1c(OC)c(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)NCCCC(=O)O)c3)C2=O)cc1	InChI=1S/C24H25NO9/c1-30-17-9-6-14(23(31-2)24(17)32-3)11-19-22(29)16-8-7-15(12-18(16)34-19)33-13-20(26)25-10-4-5-21(27)28/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,26)(H,27,28)/b19-11-	C24H25NO9	471.457	10	2	129.62	3	12	1	-2.0244	3.74116	3	2.083	71.5737	127.153	3.3625	428.534927124419
Cond-003264	NPD3349	NPD3349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.3645181629	COc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1	InChI=1S/C28H26O8/c1-15-25-21(29)11-18(17-7-9-20(31-3)10-8-17)12-22(26(25)16(2)35-15)36-28(30)19-13-23(32-4)27(34-6)24(14-19)33-5/h7-14H,1-6H3	C28H26O8	490.501	8	0	93.43	4	8	0	0.349299999999999	4.43161000000001	3.66	4.324	72.6547	134.1065	3.573	449.402502616758
Cond-003265	NPD3351	NPD3351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.61557237	Cc1c(CC(=O)NC(Cc2c[nH]c3c2cc(O)cc3)C(=O)O)c(=O)oc2cc(O)ccc12	InChI=1S/C23H20N2O7/c1-11-15-4-2-14(27)8-20(15)32-23(31)16(11)9-21(28)25-19(22(29)30)6-12-10-24-18-5-3-13(26)7-17(12)18/h2-5,7-8,10,19,24,26-27H,6,9H2,1H3,(H,25,28)(H,29,30)	C23H20N2O7	436.414	9	5	148.95	4	7	0	-1.648	2.94906	3	1.364	55.4996	119.9021	3.0524	378.762331903996
Cond-003266	NPD3352	NPD3352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.027583368	Cc1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1c(Cl)cc(Cl)cc1	InChI=1S/C20H15Cl2N3O/c1-11-19-15(14-4-2-3-5-17(14)25-19)9-18(24-11)20(26)23-10-12-6-7-13(21)8-16(12)22/h2-9,25H,10H2,1H3,(H,23,26)	C20H15Cl2N3O	384.259	4	2	57.78	4	4	0	0.8845	4.993	3	4.85	32.4174	109.9177	2.6651	307.288372272863
Cond-003267	NPD3353	NPD3353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8568155214	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccco1)c1ccccc1	InChI=1S/C31H24N4O4/c36-29(32-18-20-11-8-16-39-20)22-13-5-7-15-25(22)35-30(37)26-17-23-21-12-4-6-14-24(21)33-27(23)28(34(26)31(35)38)19-9-2-1-3-10-19/h1-16,26,28,33H,17-18H2,(H,32,36)/t26-,28?/m0/s1	C31H24N4O4	516.547	8	2	98.65	7	6	1	-2.094	4.34898000000001	3.99	6.617	43.543	149.5797	3.70530000000001	443.33783831998
Cond-003268	NPD3354	NPD3354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0925067122	OC(=O)CNC(=O)CNC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C19H16N2O7/c22-16(21-9-18(24)25)8-20-17(23)10-27-11-5-6-13-12-3-1-2-4-14(12)19(26)28-15(13)7-11/h1-7H,8-10H2,(H,20,23)(H,21,22)(H,24,25)	C19H16N2O7	384.34	9	3	131.03	3	9	0	-2.36	1.36508	2.56	1.769	43.6991	102.1747	2.6404	335.471310802129
Cond-003269	NPD3355	NPD3355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.218300914	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N1CCC[C@H]1C(=O)O)c1cc(Cl)ccc1	InChI=1S/C31H25ClN4O5/c32-18-8-5-7-17(15-18)27-26-21(19-9-1-3-11-22(19)33-26)16-25-29(38)36(31(41)35(25)27)23-12-4-2-10-20(23)28(37)34-14-6-13-24(34)30(39)40/h1-5,7-12,15,24-25,27,33H,6,13-14,16H2,(H,39,40)/t24-,25-,27?/m0/s1	C31H25ClN4O5	569.007	9	2	114.02	7	5	1	-2.1685	4.79278000000001	3.77	5.331	63.9048	154.9543	3.92940000000001	480.875591491775
Cond-003270	NPD3356	NPD3356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.970641464	COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(OC(C)(C)CC3)cc2oc1=O	InChI=1S/C25H27NO5/c1-15-18-11-16-9-10-25(2,3)31-21(16)13-22(18)30-24(28)19(15)12-23(27)26-14-17-7-5-6-8-20(17)29-4/h5-8,11,13H,9-10,12,14H2,1-4H3,(H,26,27)	C25H27NO5	421.486	6	1	73.86	4	6	0	0.745299999999999	5.46656000000001	3.55	4.399	68.3952	125.0307	3.203	400.950004948041
Cond-003271	NPD3357	NPD3357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2343954605	COC(=O)c1ccc(COc2ccc3cc(c(=O)oc3c2)c2ccc(OC)c(OC)c2)cc1	InChI=1S/C26H22O7/c1-29-22-11-9-18(13-24(22)30-2)21-12-19-8-10-20(14-23(19)33-26(21)28)32-15-16-4-6-17(7-5-16)25(27)31-3/h4-14H,15H2,1-3H3	C26H22O7	446.449	7	0	80.29	4	8	1	-0.0538	4.63257	3.55	5.29	48.3415	124.3015	3.2325	406.020306664463
Cond-003272	NPD3358	NPD3358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6656089822	COc1cc(CNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)ccc1	InChI=1S/C21H21NO5/c1-12-16-7-8-18(23)13(2)20(16)27-21(25)17(12)10-19(24)22-11-14-5-4-6-15(9-14)26-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)	C21H21NO5	367.395	6	2	84.86	3	6	0	0.169	3.46559	3.11	2.709	51.7576	105.6047	2.748	344.122525145374
Cond-003273	NPD3359	NPD3359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.2106303102	C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O	InChI=1S/C16H18ClN3O4/c1-8(14(21)19-9(2)16(23)24)18-15(22)13-7-10-6-11(17)4-5-12(10)20(13)3/h4-9H,1-3H3,(H,18,22)(H,19,21)(H,23,24)/t8-,9-/m0/s1	C16H18ClN3O4	351.785	7	3	100.43	2	7	0	-0.8612	2.17838	2.34	1.595	54.7556	94.3817000000001	2.5014	303.686339604646
Cond-003274	NPD336	NPD336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.5850450578	CC(=O)Oc1cc2c(cc1)C1CC[C@@]3(C)C(C[C@@H](Br)C3=O)C1CC2	InChI=1S/C20H23BrO3/c1-11(22)24-13-4-6-14-12(9-13)3-5-16-15(14)7-8-20(2)17(16)10-18(21)19(20)23/h4,6,9,15-18H,3,5,7-8,10H2,1-2H3/t15?,16?,17?,18-,20+/m1/s1	C20H23BrO3	391.299	3	0	43.37	4	2	1	1.1758	5.14518	3.22	5.394	70.1414	100.777	2.6283	326.622321990185
Cond-003275	NPD3360	NPD3360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0539948197	CSc1ccc(/C=N/N2CC(=O)N3Cc4c(CC3C2=O)c2ccccc2[nH]4)cc1	InChI=1S/C22H20N4O2S/c1-29-15-8-6-14(7-9-15)11-23-26-13-21(27)25-12-19-17(10-20(25)22(26)28)16-4-2-3-5-18(16)24-19/h2-9,11,20,24H,10,12-13H2,1H3/b23-11+	C22H20N4O2S	404.485	6	1	94.07	5	3	0	-1.3162	3.23707	3.11	4.297	56.6866	119.235	2.9155	348.297758249258
Cond-003276	NPD3361	NPD3361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.672819336	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(oc1=O)c(OC)c(OC)cc2)C(=O)NCC(=O)O	InChI=1S/C22H28N2O8/c1-6-11(2)18(21(28)23-10-17(26)27)24-16(25)9-14-12(3)13-7-8-15(30-4)20(31-5)19(13)32-22(14)29/h7-8,11,18H,6,9-10H2,1-5H3,(H,23,28)(H,24,25)(H,26,27)/t11-,18+/m1/s1	C22H28N2O8	448.466	10	3	140.26	2	12	1	-1.4129	2.25278	2.78	1.145	86.1857	119.7272	3.3164	424.678867482691
Cond-003277	NPD3362	NPD3362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0411849183	CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1C	InChI=1S/C26H29NO6S/c1-5-16(3)23(27-34(30,31)18-11-9-15(2)10-12-18)26(29)32-22-14-13-20-19-7-6-8-21(19)25(28)33-24(20)17(22)4/h9-14,16,23,27H,5-8H2,1-4H3	C26H29NO6S	483.577	7	1	107.15	4	8	1	-0.181700000000003	5.51910000000001	3.44	5.662	75.9184	128.0347	3.5661	445.545240332069
Cond-003278	NPD3363	NPD3363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.981245797	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCc1ccccc1)c1ccc(F)cc1	InChI=1S/C34H27FN4O3/c35-23-16-14-22(15-17-23)31-30-26(24-10-4-6-12-27(24)37-30)20-29-33(41)39(34(42)38(29)31)28-13-7-5-11-25(28)32(40)36-19-18-21-8-2-1-3-9-21/h1-17,29,31,37H,18-20H2,(H,36,40)/t29-,31?/m0/s1	C34H27FN4O3	558.602	7	2	85.51	7	7	1	-1.2046	5.29628000000001	4.32	8.749	47.2482	160.4657	4.04400000000001	489.866665646526
Cond-003279	NPD3364	NPD3364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0794002385	CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCSC)NC(=O)OCc3ccccc3)c12	InChI=1S/C25H27NO6S/c1-4-18-14-22(27)31-20-12-16(2)13-21(23(18)20)32-24(28)19(10-11-33-3)26-25(29)30-15-17-8-6-5-7-9-17/h5-9,12-14,19H,4,10-11,15H2,1-3H3,(H,26,29)/t19-/m1/s1	C25H27NO6S	469.55	7	1	116.23	3	12	2	1.1192	4.59299	3.33	6.869	75.4012	129.6557	3.4908	437.969255706202
Cond-003280	NPD3365	NPD3365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8637725286	Cc1cc(OCC(=O)N2CCC(CC2)C(=O)O)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C20H23NO6/c1-11-8-15(18-12(2)13(3)20(25)27-16(18)9-11)26-10-17(22)21-6-4-14(5-7-21)19(23)24/h8-9,14H,4-7,10H2,1-3H3,(H,23,24)	C20H23NO6	373.4	7	1	93.14	3	5	0	-0.0165000000000013	2.68099	2.89	1.847	70.3875	100.6618	2.7518	351.789684621669
Cond-003281	NPD3366	NPD3366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1854624249	CCOC(=O)c1c([NH+]Cc2cc(=O)oc3cc(c([O-])cc23)c2ccccc2)cccc1	InChI=1S/C25H21NO5/c1-2-30-25(29)18-10-6-7-11-21(18)26-15-17-12-24(28)31-23-14-19(22(27)13-20(17)23)16-8-4-3-5-9-16/h3-14,26-27H,2,15H2,1H3	C25H20NO5	414.43	6	2	92.27	4	7	1	-1.8904	5.43306	3.55	6.324	36.3095	122.1559	3.074	382.140628845641
Cond-003282	NPD3367	NPD3367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0463581053	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c1c2	InChI=1S/C25H32N2O4/c1-13-15(3)30-20-10-21-18(8-17(13)20)14(2)19(23(29)31-21)9-22(28)26-16-11-24(4,5)27-25(6,7)12-16/h8,10,16,27H,9,11-12H2,1-7H3,(H,26,28)	C25H32N2O4	424.533	6	2	80.57	4	4	0	2.1835	4.52961000000001	3.55	3.888	87.6541	125.4694	3.3301	408.429455857247
Cond-003283	NPD3368	NPD3368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.1362396505	CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C24H24N4O5/c1-13(2)20(23(31)32)27-21(29)19(11-14-12-25-17-9-5-3-7-15(14)17)28-22(30)16-8-4-6-10-18(16)26-24(28)33/h3-10,12-13,19-20,25H,11H2,1-2H3,(H,26,33)(H,27,29)(H,31,32)/t19-,20-/m1/s1	C24H24N4O5	448.471	9	4	131.6	4	8	0	-1.7251	3.74957	3.11	3.347	58.6237	126.7847	3.27550000000001	400.471383545075
Cond-003284	NPD3369	NPD3369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4184702747	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1c(Cl)cccc1)c1cc(OC)ccc1	InChI=1S/C34H27ClN4O4/c1-43-24-9-6-8-21(17-24)31-30-26(25-10-3-5-12-28(25)37-30)18-29-33(41)38(34(42)39(29)31)23-15-13-20(14-16-23)32(40)36-19-22-7-2-4-11-27(22)35/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.2474	5.43718000000001	4.21	7.029	54.8553	166.4467	4.20740000000001	507.800401267214
Cond-003285	NPD3370	NPD3370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2702624329	CC(C)[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1)C(=O)O	InChI=1S/C27H33N3O4/c1-18(2)23(25(32)33)29-26(34)27(21-10-4-3-5-11-21)12-14-30(15-13-27)24(31)22-16-19-8-6-7-9-20(19)17-28-22/h3-11,18,22-23,28H,12-17H2,1-2H3,(H,29,34)(H,32,33)/t22-,23+/m0/s1	C27H33N3O4	463.569	7	3	98.74	4	8	1	-1.4325	2.38109	3.66	5.363	76.8418	131.5992	3.6257	448.745267915547
Cond-003286	NPD3371	NPD3371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5839002831	COc1c(OC)cc2c(oc(=O)c(CC(=O)NCCCC(=O)O)c2C)c1	InChI=1S/C18H21NO7/c1-10-11-7-14(24-2)15(25-3)9-13(11)26-18(23)12(10)8-16(20)19-6-4-5-17(21)22/h7,9H,4-6,8H2,1-3H3,(H,19,20)(H,21,22)	C18H21NO7	363.362	8	2	111.16	2	9	0	-0.5575	2.50208	2.56	0.739	65.6868	97.5755	2.6373	338.344400771296
Cond-003287	NPD3372	NPD3372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1953937959	COc1c2OCOc2cc2c1C(N(C)CC2)c1c(O)nc(S)n(c1=O)c1c(C)cc(C)cc1C	InChI=1S/C25H27N3O5S/c1-12-8-13(2)19(14(3)9-12)28-24(30)18(23(29)26-25(28)34)20-17-15(6-7-27(20)4)10-16-21(22(17)31-5)33-11-32-16/h8-10,20,29H,6-7,11H2,1-5H3,(H,26,34)	C25H27N3O5S	481.564	8	1	122.63	5	3	0	2.4983	4.49392000000001	3.22	3.243	84.2007	137.2038	3.4575	429.096090721175
Cond-003288	NPD3373	NPD3373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.5014819206	CC(C)C[C@H](NC(=O)c1cc(ccc1)c1cc2c(oc1=O)cccc2)C(=O)O	InChI=1S/C22H21NO5/c1-13(2)10-18(21(25)26)23-20(24)16-8-5-7-14(11-16)17-12-15-6-3-4-9-19(15)28-22(17)27/h3-9,11-13,18H,10H2,1-2H3,(H,23,24)(H,25,26)/t18-/m0/s1	C22H21NO5	379.406	6	2	92.7	3	7	1	-0.0221000000000012	3.81837	3.22	5.792	52.0934	108.185	2.8459	358.782051070441
Cond-003289	NPD3374	NPD3374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1186449036	[C@@H]12C(NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O)C(C)O	InChI=1S/C25H27N3O4/c1-13-9-10-17-20(14(13)2)26-24(32)25(17)19-18(21(27-25)15(3)29)22(30)28(23(19)31)12-11-16-7-5-4-6-8-16/h4-10,15,18-19,21,27,29H,11-12H2,1-3H3,(H,26,32)/t15?,18-,19-,21?,25?/m0/s1	C25H27N3O4	433.5	7	3	98.74	5	4	0	-1.3464	1.63413	3.44	3.64	68.098	119.4542	3.2353	401.796839963014
Cond-003290	NPD3375	NPD3375	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7019913592	CC(C)[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O	InChI=1S/C17H18ClNO6/c1-7(2)15(16(22)23)19-14(21)5-10-8(3)9-4-11(18)12(20)6-13(9)25-17(10)24/h4,6-7,15,20H,5H2,1-3H3,(H,19,21)(H,22,23)/t15-/m0/s1	C17H18ClNO6	367.781	7	3	112.93	2	6	0	0.487499999999999	2.90557	2.45	1.425	64.653	94.6093	2.5601	327.469257215301
Cond-003291	NPD3376	NPD3376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3863585979	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(CN(CC(c4ccccc4)c4ccccc4)CO3)cc12	InChI=1S/C34H31NO3/c1-23-29-19-28-20-35(21-31(26-14-8-4-9-15-26)27-16-10-5-11-17-27)22-37-32(28)24(2)33(29)38-34(36)30(23)18-25-12-6-3-7-13-25/h3-17,19,31H,18,20-22H2,1-2H3	C34H31NO3	501.615	4	0	38.77	6	6	1	1.5792	7.38509000000001	4.76	12.138	51.5236	153.975	3.9215	479.33820227412
Cond-003292	NPD3377	NPD3377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.8249209453	OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O	InChI=1S/C28H24N4O5/c33-25(30-23(27(35)36)14-17-8-2-1-3-9-17)24(15-18-16-29-21-12-6-4-10-19(18)21)32-26(34)20-11-5-7-13-22(20)31-28(32)37/h1-13,16,23-24,29H,14-15H2,(H,30,33)(H,31,37)(H,35,36)/t23-,24+/m0/s1	C28H24N4O5	496.514	9	4	131.6	5	9	1	-2.2356	4.33627000000001	3.55	5.957	49.2213	142.0927	3.60150000000001	438.489487245341
Cond-003293	NPD3378	NPD3378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.461952568	CC1Oc2ccccc2C=C1/C=C/1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O	InChI=1S/C32H23NO5/c1-21-23(18-22-10-8-9-15-28(22)36-21)19-30-31(34)27-17-16-26(20-29(27)38-30)37-32(35)33(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-21H,1H3/b30-19-	C32H23NO5	501.529	6	0	65.07	6	6	1	-0.361899999999999	8.21734	4.32	9.642	45.4184	151.1075	3.67110000000001	457.053769021908
Cond-003294	NPD3379	NPD3379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1066232677	COc1cccc(/C=C/2\Oc3c(C[NH+](C)C)c([O-])ccc3C2=O)c1OC	InChI=1S/C20H21NO5/c1-21(2)11-14-15(22)9-8-13-18(23)17(26-20(13)14)10-12-6-5-7-16(24-3)19(12)25-4/h5-10,22H,11H2,1-4H3/b17-10-	C20H21NO5	355.384	6	1	72.26	3	5	0	-2.5223	1.03978	3	2.321	47.3486	98.4147	2.6501	329.462999220307
Cond-003295	NPD338	NPD338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6308792734	CCc1ccc(O[C@@H]2O[C@H](CI)[C@@H](O)[C@H](O)[C@H]2O)cc1	InChI=1S/C14H19IO5/c1-2-8-3-5-9(6-4-8)19-14-13(18)12(17)11(16)10(7-15)20-14/h3-6,10-14,16-18H,2,7H2,1H3/t10-,11-,12+,13-,14-/m1/s1	C14H19IO5	394.202	5	3	79.15	2	4	0	-0.0198999999999996	1.37119	2.34	3.411	56.71	84.0774000000001	2.2867	276.405885132005
Cond-003296	NPD3380	NPD3380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4667579864	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCCOC	InChI=1S/C22H21N3O3/c1-28-11-10-23-21(26)18-12-16-13-6-4-5-9-17(13)24-19(16)20-14-7-2-3-8-15(14)22(27)25(18)20/h2-9,18,20,24H,10-12H2,1H3,(H,23,26)/t18-,20?/m0/s1	C22H21N3O3	375.42	6	2	74.43	5	5	0	-1.8637	1.98899	3.22	3.139	46.5093	108.1867	2.7539	330.218659384852
Cond-003297	NPD3381	NPD3381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1771958376	CC1CC(C)C[NH+](Cc2c3oc(=O)cc(c4cc5c(oc4=O)ccc(Cl)c5)c3ccc2[O-])C1	InChI=1S/C26H24ClNO5/c1-14-7-15(2)12-28(11-14)13-21-22(29)5-4-18-19(10-24(30)33-25(18)21)20-9-16-8-17(27)3-6-23(16)32-26(20)31/h3-6,8-10,14-15,29H,7,11-13H2,1-2H3	C26H24ClNO5	465.925	6	1	80.1	5	3	0	-0.874200000000003	4.13416	3.55	4.425	72.3935	127.8427	3.3147	418.464139942741
Cond-003298	NPD3382	NPD3382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.1132009666	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)Nc1ccc(C)cc1)[C@H]2c1cc(OC)c(OC)c(OC)c1	InChI=1S/C27H36N2O5/c1-18-8-10-20(11-9-18)28-24(30)17-29-14-13-27(31)12-6-5-7-21(27)25(29)19-15-22(32-2)26(34-4)23(16-19)33-3/h8-11,15-16,21,25,31H,5-7,12-14,17H2,1-4H3,(H,28,30)/t21-,25-,27-/m0/s1	C27H36N2O5	468.585	7	2	80.26	4	8	0	-1.7797	4.54010000000001	3.66	4.216	75.7699	133.3565	3.6706	451.811651809542
Cond-003299	NPD3383	NPD3383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.6946762662	CSCC[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@H](CC(C)C)C(=O)O	InChI=1S/C17H31N3O4S/c1-11(2)10-14(17(23)24)19-15(21)12-4-7-20(8-5-12)16(22)13(18)6-9-25-3/h11-14H,4-10,18H2,1-3H3,(H,19,21)(H,23,24)/t13-,14+/m0/s1	C17H31N3O4S	373.511	7	4	138.03	1	11	1	-2.026	1.15479	2.45	-0.872	91.6728	102.5429	2.964	368.98257402168
Cond-003300	NPD3384	NPD3384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.214357531	COc1cc(CNC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)ccc1	InChI=1S/C25H27NO5/c1-15-19-11-17-8-9-25(2,3)31-21(17)13-22(19)30-24(28)20(15)12-23(27)26-14-16-6-5-7-18(10-16)29-4/h5-7,10-11,13H,8-9,12,14H2,1-4H3,(H,26,27)	C25H27NO5	421.486	6	1	73.86	4	6	0	0.745299999999999	4.91106000000001	3.55	4.188	68.3952	122.7037	3.203	400.950004948041
Cond-003301	NPD3385	NPD3385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4190629399	Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C25H27N3O4/c1-16-17(7-8-24(29)27-9-4-11-28-12-10-26-15-28)25(30)32-22-14-23-20(13-19(16)22)18-5-2-3-6-21(18)31-23/h10,12-15H,2-9,11H2,1H3,(H,27,29)	C25H27N3O4	433.5	7	1	86.36	5	8	0	-0.573799999999998	4.66536000000001	3.44	3.011	68.5218	126.5777	3.2353	390.896839963014
Cond-003302	NPD3386	NPD3386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3076828337	CCCCc1cc(=O)oc2c(C)c3c(CN(Cc4cc(OC)c(OC)c(OC)c4)CO3)cc12	InChI=1S/C26H31NO6/c1-6-7-8-18-12-23(28)33-25-16(2)24-19(11-20(18)25)14-27(15-32-24)13-17-9-21(29-3)26(31-5)22(10-17)30-4/h9-12H,6-8,13-15H2,1-5H3	C26H31NO6	453.527	7	0	66.46	4	8	0	-0.0134999999999986	5.01359000000001	3.55	4.239	77.5273	129.116	3.4456	429.672674975269
Cond-003303	NPD3387	NPD3387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.8507942892	COCCNC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O	InChI=1S/C25H25NO5/c1-15-18(9-10-22(27)26-11-12-29-3)25(28)31-24-16(2)23-20(13-19(15)24)21(14-30-23)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3,(H,26,27)	C25H25NO5	419.47	6	1	77.77	4	8	0	0.549199999999999	4.96349000000001	3.55	4.478	60.3897	122.7647	3.16	387.413546247241
Cond-003304	NPD3388	NPD3388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.743818002	COc1cc2c(CN(CC2)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC	InChI=1S/C22H24N2O3/c1-13-14(2)23-19-6-5-16(9-18(13)19)22(25)24-8-7-15-10-20(26-3)21(27-4)11-17(15)12-24/h5-6,9-11,23H,7-8,12H2,1-4H3	C22H24N2O3	364.438	5	1	54.56	4	4	0	0.2015	3.04653	3.33	3.241	50.4839	107.574	2.8057	334.214816578285
Cond-003305	NPD3389	NPD3389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.3870422671	C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C29H28N4O6/c1-18(28(37)38)30-25(34)23(16-19-10-4-2-5-11-19)31-26(35)24(17-20-12-6-3-7-13-20)33-27(36)21-14-8-9-15-22(21)32-29(33)39/h2-15,18,23-24H,16-17H2,1H3,(H,30,34)(H,31,35)(H,32,39)(H,37,38)/t18-,23+,24-/m1/s1	C29H28N4O6	528.556	10	4	144.91	4	12	2	-2.5558	3.43638	3.55	7.056	62.5843	146.3674	3.90970000000001	487.832157272569
Cond-003306	NPD339	NPD339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.1089167866	CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(=O)C	InChI=1S/C28H40O7/c1-16(29)32-15-23(31)28-24(34-25(3,4)35-28)14-22-20-8-7-18-13-19(33-17(2)30)9-11-26(18,5)21(20)10-12-27(22,28)6/h7,19-22,24H,8-15H2,1-6H3/t19?,20?,21?,22?,24-,26+,27+,28-/m1/s1	C28H40O7	488.613	7	0	88.13	5	6	0	-0.284599999999996	4.67338000000001	3.77	4.297	126.3443	130.021	3.7497	482.047486821797
Cond-003307	NPD3390	NPD3390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.9080043108	COc1ccc(cc1)N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C23H23NO4/c1-14-21-15(12-24(13-27-21)16-7-9-17(26-2)10-8-16)11-20-18-5-3-4-6-19(18)23(25)28-22(14)20/h7-11H,3-6,12-13H2,1-2H3	C23H23NO4	377.433	5	0	48	5	2	0	0.000700000000000447	5.62138	3.44	4.351	56.0052	112.014	2.7969	347.847808995747
Cond-003308	NPD3391	NPD3391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0752643123	CC(C)Oc1ccc(cc1)C1N2C[C@]3(C)CN1C[C@@](C2)(c1ccccc1)C3=O	InChI=1S/C24H28N2O2/c1-17(2)28-20-11-9-18(10-12-20)21-25-13-23(3)14-26(21)16-24(15-25,22(23)27)19-7-5-4-6-8-19/h4-12,17,21H,13-16H2,1-3H3/t21?,23-,24+	C24H28N2O2	376.491	4	0	32.78	2	4	0	-0.258300000000001	3.52339	3.66	4.858	60.7258	111.792	2.9632	361.196559129458
Cond-003309	NPD3392	NPD3392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.2214828425	COc1c(OC)cc2c(oc(=O)c(CC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c2C)c1	InChI=1S/C25H24N2O7/c1-13-16-9-21(32-2)22(33-3)11-20(16)34-25(31)17(13)10-23(28)27-19(24(29)30)8-14-12-26-18-7-5-4-6-15(14)18/h4-7,9,11-12,19,26H,8,10H2,1-3H3,(H,27,28)(H,29,30)/t19-/m0/s1	C25H24N2O7	464.467	9	3	126.95	4	9	0	-0.831	3.55506	3.22	2.613	65.002	129.6765	3.3342	413.35430115573
Cond-003310	NPD3393	NPD3393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.4426147829	[C@@H]12CCCC[C@]1(O)CCN([C@H]2c1c(OC)ccc(OC)c1)C(=O)CNC(=O)c1ccccc1	InChI=1S/C26H32N2O5/c1-32-19-11-12-22(33-2)20(16-19)24-21-10-6-7-13-26(21,31)14-15-28(24)23(29)17-27-25(30)18-8-4-3-5-9-18/h3-5,8-9,11-12,16,21,24,31H,6-7,10,13-15,17H2,1-2H3,(H,27,30)/t21-,24-,26-/m0/s1	C26H32N2O5	452.543	7	2	88.1	4	8	0	-3.0179	3.51129000000001	3.55	4.329	67.4955	128.8705	3.4867	431.879208482875
Cond-003311	NPD3394	NPD3394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.756372258	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)CO	InChI=1S/C21H29N3O4S/c1-11(2)15(17(26)22-12(3)10-25)23-18(27)16-21(4,5)29-20-14-9-7-6-8-13(14)19(28)24(16)20/h6-9,11-12,15-16,20,25H,10H2,1-5H3,(H,22,26)(H,23,27)/t12-,15-,16+,20?/m0/s1	C21H29N3O4S	419.538	7	3	124.04	3	8	0	-0.776599999999998	1.3548	2.89	2.377	84.5503	114.7792	3.1814	394.644219021147
Cond-003312	NPD3395	NPD3395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0405637676	CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSC)C(=O)O)c12	InChI=1S/C18H21NO6S/c1-4-11-7-16(21)25-14-6-10(2)5-13(17(11)14)24-8-15(20)19-12(9-26-3)18(22)23/h5-7,12H,4,8-9H2,1-3H3,(H,19,20)(H,22,23)/t12-/m0/s1	C18H21NO6S	379.427	7	2	127.23	2	9	0	0.3402	2.29019	2.56	2.593	73.5348	101.6705	2.7421	348.063198128335
Cond-003313	NPD3396	NPD3396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.6970270139	[O-]c1ccc2c(=O)c(coc2c1C[NH+]1CCCCC1)c1ccc2OCCOc2c1	InChI=1S/C23H23NO5/c25-19-6-5-16-22(26)18(15-4-7-20-21(12-15)28-11-10-27-20)14-29-23(16)17(19)13-24-8-2-1-3-9-24/h4-7,12,14,25H,1-3,8-11,13H2	C23H23NO5	393.432	6	1	72.26	5	3	0	-4.0189	2.21887	3.33	2.587	50.8393	110.0987	2.8556	356.638035696308
Cond-003314	NPD3397	NPD3397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.9437981117	CSCC[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C17H31N3O4S/c1-11(2)10-14(17(23)24)19-15(21)12-4-7-20(8-5-12)16(22)13(18)6-9-25-3/h11-14H,4-10,18H2,1-3H3,(H,19,21)(H,23,24)/t13-,14-/m0/s1	C17H31N3O4S	373.511	7	4	138.03	1	11	1	-2.026	1.15479	2.45	-0.872	91.6728	102.5429	2.964	368.98257402168
Cond-003315	NPD3398	NPD3398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9629408249	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCn1ccnc1	InChI=1S/C26H25N5O2/c1-2-33-23-11-6-4-9-19(23)24-25-20(18-8-3-5-10-21(18)29-25)16-22(30-24)26(32)28-12-7-14-31-15-13-27-17-31/h3-6,8-11,13,15-17,29H,2,7,12,14H2,1H3,(H,28,32)	C26H25N5O2	439.509	7	2	84.83	5	9	0	-1.1082	5.14367000000001	3.55	4.703	37.5851	135.8017	3.3294	382.896515501691
Cond-003316	NPD3399	NPD3399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	88.0647168637	CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C28H29NO6/c1-5-15(2)26(27(31)32)29-24(30)12-11-19-16(3)20-13-21-23(14-22(20)35-28(19)33)34-17(4)25(21)18-9-7-6-8-10-18/h6-10,13-15,26H,5,11-12H2,1-4H3,(H,29,30)(H,31,32)/t15-,26+/m1/s1	C28H29NO6	475.533	7	2	105.84	4	9	1	-0.124900000000001	5.79719000000001	3.77	6.185	71.7676	139.3295	3.5984	445.455268124602
Cond-003317	NPD34	NPD34	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.737803352	COc1cc2c(cc1OC)C(O)C(C)(C)N(CCC(c1ccccc1)c1ccccc1)C2	InChI=1S/C28H33NO3/c1-28(2)27(30)24-18-26(32-4)25(31-3)17-22(24)19-29(28)16-15-23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-18,23,27,30H,15-16,19H2,1-4H3	C28H33NO3	431.567	4	1	41.93	4	7	1	-0.4027	4.85630000000001	4.1	8.806	53.3758	125.8778	3.5083	424.357505424519
Cond-003318	NPD340	NPD340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	74.0297029703	[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(NN1CCNC1=O)c1ccccc1)C(=O)O	InChI=1S/C19H23N5O5S/c1-19(2)13(17(27)28)24-15(26)12(16(24)30-19)21-14(25)11(10-6-4-3-5-7-10)22-23-9-8-20-18(23)29/h3-7,11-13,16,22H,8-9H2,1-2H3,(H,20,29)(H,21,25)(H,27,28)/t11?,12-,13+,16-/m1/s1	C19H23N5O5S	433.481	10	4	156.38	4	7	0	-1.6887	-0.218010000000001	2.34	2.275	79.4767	110.5469	3.0063	375.843079484708
Cond-003319	NPD3400	NPD3400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5881915158	COc1c(OC)c2c(cc1)C(OC2=O)N1C(CCC1=O)C(=O)Nc1c(C)ccc(C)c1	InChI=1S/C23H24N2O6/c1-12-5-6-13(2)15(11-12)24-21(27)16-8-10-18(26)25(16)22-14-7-9-17(29-3)20(30-4)19(14)23(28)31-22/h5-7,9,11,16,22H,8,10H2,1-4H3,(H,24,27)	C23H24N2O6	424.446	8	1	94.17	4	6	0	-0.4584	2.89534	3.11	3.546	60.7716	112.9407	3.0797	386.145022605035
Cond-003320	NPD3401	NPD3401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.253991183	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1cccc(OC)c1)c1ccc(cc1)C(C)C	InChI=1S/C37H34N4O4/c1-22(2)24-15-17-25(18-16-24)34-33-29(27-11-4-6-13-30(27)39-33)20-32-36(43)41(37(44)40(32)34)31-14-7-5-12-28(31)35(42)38-21-23-9-8-10-26(19-23)45-3/h4-19,22,32,34,39H,20-21H2,1-3H3,(H,38,42)/t32-,34?/m0/s1	C37H34N4O4	598.69	8	2	94.74	7	8	1	-1.4188	5.90718000000001	4.65	8.966	63.5075	175.5257	4.50770000000001	544.477287374379
Cond-003321	NPD3402	NPD3402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.49180004	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C18H23N3O6/c1-9(16(22)20-10(2)18(24)25)19-17(23)12-8-11-13(26-4)6-7-14(27-5)15(11)21(12)3/h6-10H,1-5H3,(H,19,23)(H,20,22)(H,24,25)/t9-,10-/m0/s1	C18H23N3O6	377.392	9	3	118.89	2	9	0	-1.7091	2.04297	2.45	0.611	63.7716	104.5367	2.7782	340.647694487069
Cond-003322	NPD3403	NPD3403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.922157583	[C@H]1(Cc2c(CN1C(=O)COc1c3c(oc(=O)cc3c3ccccc3)cc(C)c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C31H26N2O6/c1-18-12-26(30-21(19-8-4-3-5-9-19)15-29(35)39-27(30)13-18)38-17-28(34)33-16-24-22(14-25(33)31(36)37-2)20-10-6-7-11-23(20)32-24/h3-13,15,25,32H,14,16-17H2,1-2H3/t25-/m0/s1	C31H26N2O6	522.548	8	1	97.93	6	7	1	-0.7666	4.18768000000001	3.99	6.875	62.6286	148.049	3.7747	464.817688706369
Cond-003323	NPD3404	NPD3404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8576339439	CCCCc1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C27H25NO3/c1-2-3-7-19-10-12-21(13-11-19)28-17-24-25(30-18-28)15-14-22-23(16-26(29)31-27(22)24)20-8-5-4-6-9-20/h4-6,8-16H,2-3,7,17-18H2,1H3	C27H25NO3	411.492	4	0	38.77	5	5	1	-0.511700000000001	7.03146000000001	3.99	9.323	45.3656	128.567	3.1728	389.432144696252
Cond-003324	NPD3405	NPD3405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.652506998	Cc1ccc(Cl)cc1N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C24H18ClNO3/c1-15-7-8-17(25)11-21(15)26-13-20-22(28-14-26)10-9-18-19(12-23(27)29-24(18)20)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3	C24H18ClNO3	403.858	4	0	38.77	5	2	1	1.3369	6.42499	3.55	7.29	39.896	118.871	2.8725	352.755258589085
Cond-003325	NPD3406	NPD3406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.477536302	Cc1c(CC(=O)NCCCCCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Br)cc1	InChI=1S/C26H24BrNO6/c1-15-18-11-20-21(16-6-8-17(27)9-7-16)14-33-22(20)13-23(18)34-26(32)19(15)12-24(29)28-10-4-2-3-5-25(30)31/h6-9,11,13-14H,2-5,10,12H2,1H3,(H,28,29)(H,30,31)	C26H24BrNO6	526.376	7	2	105.84	4	10	0	-0.2952	6.48918000000001	3.44	4.38	67.0966	137.4975	3.4916	430.146917850436
Cond-003326	NPD3407	NPD3407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3144919707	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)ccc12	InChI=1S/C28H31NO6/c1-17-22-12-13-24(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)18(2)26(22)35-28(33)23(17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t20-,21-	C28H31NO6	477.549	7	2	101.93	4	9	1	1.0784	5.14329000000001	3.77	5.813	79.561	136.6145	3.6414	458.991726825403
Cond-003327	NPD3408	NPD3408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.7883817427	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCc3ccccc3)c1C)c2	InChI=1S/C23H21NO4/c1-14-13-27-20-11-21-19(10-18(14)20)15(2)17(23(26)28-21)8-9-22(25)24-12-16-6-4-3-5-7-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,24,25)	C23H21NO4	375.417	5	1	68.54	4	6	0	0.5894	4.46239	3.44	4.557	48.3617	109.0917	2.8195	344.031350294946
Cond-003328	NPD3409	NPD3409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.293629485	Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Br)cc1	InChI=1S/C28H20BrNO6/c1-15-19-11-21-22(16-7-9-18(29)10-8-16)14-35-23(21)13-24(19)36-28(34)20(15)12-25(31)30-26(27(32)33)17-5-3-2-4-6-17/h2-11,13-14,26H,12H2,1H3,(H,30,31)(H,32,33)/t26-/m1/s1	C28H20BrNO6	546.365	7	2	105.84	5	7	1	0.3653	6.14627	3.66	6.159	52.4232	141.5055	3.53580000000001	433.573052298969
Cond-003329	NPD341	NPD341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1079604708	COC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C35H45NO10/c1-33-14-12-23(38)17-21(33)6-9-24-25-13-15-35(44,34(25,2)18-27(39)31(24)33)28(40)19-46-30(42)11-10-29(41)36-26(32(43)45-3)16-20-4-7-22(37)8-5-20/h4-5,7-8,17,24-27,31,37,39,44H,6,9-16,18-19H2,1-3H3,(H,36,41)/t24?,25?,26?,27?,31?,33-,34-,35-/m0/s1	C35H45NO10	639.733	11	4	176.53	5	13	1	-1.8614	2.87888000000001	4.1	1.5	139.3749	166.9801	4.7969	616.404526008712
Cond-003330	NPD3410	NPD3410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.007394809	C[C@H](NC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-10-13-7-15-16(22(4,5)6)9-28-18(15)11(2)19(13)29-21(27)14(10)8-17(24)23-12(3)20(25)26/h7,9,12H,8H2,1-6H3,(H,23,24)(H,25,26)/t12-/m0/s1	C22H25NO6	399.437	7	2	105.84	3	6	0	1.726	3.98219000000001	3.11	3.183	74.3517	110.8825	2.9906	372.845195172602
Cond-003331	NPD3411	NPD3411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5616472339	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1)C(=O)O	InChI=1S/C23H24N2O7/c1-3-13(2)21(22(28)29)25-19(26)11-24-20(27)12-31-14-8-9-16-15-6-4-5-7-17(15)23(30)32-18(16)10-14/h4-10,13,21H,3,11-12H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t13-,21-/m1/s1	C23H24N2O7	440.446	9	3	131.03	3	11	1	-2.4186	2.51428	3	3.519	59.8055	120.3292	3.204	404.655249305597
Cond-003332	NPD3412	NPD3412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.454995054	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NCC3CCCO3)cc2O1	InChI=1S/C24H29NO6/c1-24(2)9-8-17-18(31-24)11-19(29-13-20(26)25-12-14-5-4-10-28-14)21-15-6-3-7-16(15)23(27)30-22(17)21/h11,14H,3-10,12-13H2,1-2H3,(H,25,26)	C24H29NO6	427.49	7	1	83.09	5	6	0	-1.1677	4.37346000000001	3.33	2.466	85.404	119.6577	3.1412	398.897164424336
Cond-003333	NPD3413	NPD3413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9981483286	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Br)cc1)C(=O)CN(CCc1ccccc1F)C2=O	InChI=1S/C29H25BrFN3O2/c1-29-27-26(21-7-3-5-9-24(21)32-27)22(18-10-12-20(30)13-11-18)16-34(29)25(35)17-33(28(29)36)15-14-19-6-2-4-8-23(19)31/h2-13,22,32H,14-17H2,1H3/t22?,29-/m0/s1	C29H25BrFN3O2	546.43	5	1	56.41	6	4	1	-0.1242	5.19779000000001	3.88	6.378	57.7012	143.31	3.6366	436.685668090031
Cond-003334	NPD3414	NPD3414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1345264428	CCC(C)NC(=O)Cc1c(C)c2cc3c(OC(C)(C)CC3)cc2oc1=O	InChI=1S/C21H27NO4/c1-6-12(2)22-19(23)10-16-13(3)15-9-14-7-8-21(4,5)26-17(14)11-18(15)25-20(16)24/h9,11-12H,6-8,10H2,1-5H3,(H,22,23)	C21H27NO4	357.443	5	1	64.63	3	5	0	0.5497	4.84026000000001	3.22	3.598	74.4741	106.5147	2.8183	354.141674547213
Cond-003335	NPD3415	NPD3415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.504950495	CCC(C)[C@H](NC(=O)COc1cc2c(cc1)C(=O)/C(=C/c1c(OC)c(OC)c(OC)cc1)/O2)C(=O)O	InChI=1S/C26H29NO9/c1-6-14(2)22(26(30)31)27-21(28)13-35-16-8-9-17-19(12-16)36-20(23(17)29)11-15-7-10-18(32-3)25(34-5)24(15)33-4/h7-12,14,22H,6,13H2,1-5H3,(H,27,28)(H,30,31)/b20-11-/t14?,22-/m0/s1	C26H29NO9	499.51	10	2	129.62	3	12	1	-2.0432	4.37566000000001	3.22	3.317	80.0691	136.295	3.6443	463.126896376153
Cond-003336	NPD3416	NPD3416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.6721653486	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C19H35N3O4S/c1-12(2)10-16(19(25)26)22-17(23)14-6-4-13(5-7-14)11-21-18(24)15(20)8-9-27-3/h12-16H,4-11,20H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t13-,14-,15-,16-/m0/s1	C19H35N3O4S	401.564	7	5	146.82	1	13	1	-0.745299999999999	1.83879	2.67	-0.0659999999999994	101.7474	111.6966	3.2458	403.574543273413
Cond-003337	NPD3417	NPD3417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6961051848	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccccc1C(=O)NCCC(C)C)c1c(C)cccc1	InChI=1S/C32H32N4O3/c1-19(2)16-17-33-30(37)23-13-7-9-15-26(23)36-31(38)27-18-24-22-12-6-8-14-25(22)34-28(24)29(35(27)32(36)39)21-11-5-4-10-20(21)3/h4-15,19,27,29,34H,16-18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1	C32H32N4O3	520.621	7	2	85.51	6	7	1	-1.013	4.98860000000001	4.21	7.916	64.6054	153.4567	3.9821	480.372972347686
Cond-003338	NPD3418	NPD3418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.0674480264	COc1ccc(CNC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)cc1	InChI=1S/C26H27N3O3/c1-32-22-13-11-18(12-14-22)16-28-26(31)24(19-7-3-2-4-8-19)29-25(30)23-15-20-9-5-6-10-21(20)17-27-23/h2-14,23-24,27H,15-17H2,1H3,(H,28,31)(H,29,30)/t23-,24+/m0/s1	C26H27N3O3	429.511	6	3	79.46	4	9	1	-1.9704	2.09719	3.66	5.858	46.4342	123.8931	3.34010000000001	406.486139187519
Cond-003339	NPD3419	NPD3419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5982256336	C[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)cc2oc1=O)C(=O)O	InChI=1S/C23H18FNO6/c1-11-15-7-17-18(13-3-5-14(24)6-4-13)10-30-19(17)9-20(15)31-23(29)16(11)8-21(26)25-12(2)22(27)28/h3-7,9-10,12H,8H2,1-2H3,(H,25,26)(H,27,28)/t12-/m0/s1	C23H18FNO6	423.391	7	2	105.84	4	6	0	0.00749999999999945	4.51117	3.11	3.199	50.5953	114.8205	2.9116	365.042903845575
Cond-003340	NPD342	NPD342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1962240792	[C@@H]12CC(=O)C3=C(CC(C)(C)C(C(=O)OC)C3=O)N1CCc1c2cccc1	InChI=1S/C21H23NO4/c1-21(2)11-15-17(19(24)18(21)20(25)26-3)16(23)10-14-13-7-5-4-6-12(13)8-9-22(14)15/h4-7,14,18H,8-11H2,1-3H3/t14-,18?/m0/s1	C21H23NO4	353.412	5	0	63.68	4	2	0	0.664500000000001	2.41988	3.22	3.71	73.1166	97.349	2.6667	339.148757145613
Cond-003341	NPD3420	NPD3420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.3191696716	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCCc1ccc(Cl)cc1	InChI=1S/C28H31ClN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-10-19(29)11-9-18)33-26(35)28(3)24-21(13-15-32(28)27(33)36)20-6-4-5-7-22(20)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1	C28H31ClN4O3	507.024	7	2	85.51	5	8	1	0.2983	4.44648000000001	3.66	5.192	79.6471	143.6497	3.7785	457.565936417853
Cond-003342	NPD3421	NPD3421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6774582747	Cc1coc2c3c(oc(=O)c(CC(=O)NCc4ccccc4)c3C)cc(C)c12	InChI=1S/C23H21NO4/c1-13-9-18-21(22-20(13)14(2)12-27-22)15(3)17(23(26)28-18)10-19(25)24-11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H,24,25)	C23H21NO4	375.417	5	1	68.54	4	5	0	1.169	4.10031	3.44	4.711	48.9984	108.1147	2.8195	344.031350294946
Cond-003343	NPD3422	NPD3422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.286143848	CCCCCCCCCCCCNC(=O)c1c(O)c2c(cc(OC)c(OC)c2)nc1O	InChI=1S/C24H36N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-25-23(28)21-22(27)17-15-19(30-2)20(31-3)16-18(17)26-24(21)29/h15-16H,4-14H2,1-3H3,(H,25,28)(H2,26,27,29)	C24H36N2O5	432.553	7	3	100.91	2	15	2	-4.4761	5.68748000000001	3.33	7.148	66.9292	126.4163	3.5081	427.273074034342
Cond-003344	NPD3423	NPD3423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6137803333	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1ccc(C)cc1	InChI=1S/C29H27N3O2/c1-4-19-11-13-20(14-12-19)23-17-31-28(34)32(21-15-9-18(2)10-16-21)27(33)29(31,3)26-25(23)22-7-5-6-8-24(22)30-26/h5-16,23,30H,4,17H2,1-3H3/t23?,29-/m0/s1	C29H27N3O2	449.544	5	1	56.41	6	3	1	-0.0907999999999995	5.33310000000001	4.1	8.292	50.3573	136.296	3.44390000000001	411.334490262158
Cond-003345	NPD3424	NPD3424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.8408525841	CCCCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C25H25N3O3/c1-2-3-4-7-12-26-25(29)20-14-18-17-8-5-6-9-19(17)27-24(18)23(28-20)16-10-11-21-22(13-16)31-15-30-21/h5-6,8-11,13-14,27H,2-4,7,12,15H2,1H3,(H,26,29)	C25H25N3O3	415.484	6	2	76.24	5	8	1	-2.447	6.26796000000001	3.55	5.762	40.4709	130.1147	3.1336	368.570154561652
Cond-003346	NPD3425	NPD3425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.8601775062	CC1Oc2ccccc2C=C1/C=C/1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O	InChI=1S/C26H17FO5/c1-15-17(12-16-6-2-5-9-22(16)30-15)13-24-25(28)20-11-10-18(14-23(20)32-24)31-26(29)19-7-3-4-8-21(19)27/h2-15H,1H3/b24-13-	C26H17FO5	428.409	5	0	61.83	5	4	1	0.1107	6.08185	3.66	7.057	43.7898	121.1625	2.9812	379.514494712047
Cond-003347	NPD3426	NPD3426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.413825155	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C)C(=O)NCCC(C)C	InChI=1S/C27H30N4O3/c1-15(2)12-13-28-25(32)16(3)29-26(33)22-14-20-17-8-6-7-11-21(17)30-23(20)24-18-9-4-5-10-19(18)27(34)31(22)24/h4-11,15-16,22,24,30H,12-14H2,1-3H3,(H,28,32)(H,29,33)/t16-,22-,24?/m0/s1	C27H30N4O3	458.552	7	3	94.3	5	8	0	-2.2792	2.89339000000001	3.66	4.885	68.3237	133.3704	3.5152	425.058884021553
Cond-003348	NPD3427	NPD3427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.9487851011	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1ccccc1	InChI=1S/C23H22N4O3/c1-2-26-13-12-16-15-10-6-7-11-17(15)24-19(16)20(26)18-21(28)25-23(30)27(22(18)29)14-8-4-3-5-9-14/h3-11,20,24,28H,2,12-13H2,1H3,(H,25,30)	C23H22N4O3	402.446	7	3	92.16	5	3	0	0.129499999999999	3.98445000000001	3.22	4.261	54.0865	120.5446	2.9516	355.874945518085
Cond-003349	NPD3428	NPD3428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6816108854	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(C2=O)c1ccc(CCCC)cc1	InChI=1S/C26H27ClN4O4/c1-3-4-5-14-6-8-15(9-7-14)31-23(33)20-18(12-19(28)32)30-26(21(20)24(31)34)16-10-11-17(27)13(2)22(16)29-25(26)35/h6-11,18,20-21,30H,3-5,12H2,1-2H3,(H2,28,32)(H,29,35)/t18?,20-,21+,26?/m1/s1	C26H27ClN4O4	494.97	8	4	121.6	5	6	0	-2.1142	3.5857	3.33	3.577	75.7643	134.0598	3.5554	442.66419386668
Cond-003350	NPD343	NPD343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.3042281358	Cc1nc2c(cc(Br)cc2)c(c2ccccc2)c1C(=O)/C=C/c1cc2c(OCO2)cc1	InChI=1S/C26H18BrNO3/c1-16-25(22(29)11-7-17-8-12-23-24(13-17)31-15-30-23)26(18-5-3-2-4-6-18)20-14-19(27)9-10-21(20)28-16/h2-14H,15H2,1H3/b11-7+	C26H18BrNO3	472.33	4	0	48.42	5	4	1	1.1229	7.05718	3.77	8.234	37.3932	130.394	3.1209	375.246861646352
Cond-003351	NPD3430	NPD3430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.5297868101	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCCCC1	InChI=1S/C27H29N3O3/c1-3-33-23-14-13-17(15-24(23)32-2)25-26-20(19-11-7-8-12-21(19)29-26)16-22(30-25)27(31)28-18-9-5-4-6-10-18/h7-8,11-16,18,29H,3-6,9-10H2,1-2H3,(H,28,31)	C27H29N3O3	443.537	6	2	76.24	5	7	1	-2.3988	6.19817000000001	3.77	5.598	47.6228	137.5157	3.4154	403.162123813386
Cond-003352	NPD3431	NPD3431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0208595621	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)NCCCN4CCOCC4)c(C)c3c2o1	InChI=1S/C24H30N2O5/c1-14-12-19-22(23-21(14)15(2)17(4)30-23)16(3)18(24(28)31-19)13-20(27)25-6-5-7-26-8-10-29-11-9-26/h12H,5-11,13H2,1-4H3,(H,25,27)	C24H30N2O5	426.505	7	1	81.01	4	7	0	1.2376	2.97073	3.33	2.111	85.7206	121.5367	3.2479	399.923697931941
Cond-003353	NPD3432	NPD3432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0949562154	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1cccc(F)c1	InChI=1S/C33H33FN4O3/c1-19(2)16-27(31(39)35-15-14-20-8-7-9-21(34)17-20)37-32(40)28-18-25-22-10-5-6-13-26(22)36-29(25)30-23-11-3-4-12-24(23)33(41)38(28)30/h3-13,17,19,27-28,30,36H,14-16,18H2,1-2H3,(H,35,39)(H,37,40)/t27-,28-,30?/m0/s1	C33H33FN4O3	552.639	7	3	94.3	6	10	1	-1.0516	4.25529000000001	4.21	7.265	69.2895	157.8004	4.14070000000001	503.736515823859
Cond-003354	NPD3434	NPD3434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6933728981	COC(=O)C(C)Oc1ccc2oc(=O)c(c(C)c2c1)c1c(OC)ccc(OC)c1	InChI=1S/C22H22O7/c1-12-16-11-15(28-13(2)21(23)27-5)7-9-19(16)29-22(24)20(12)17-10-14(25-3)6-8-18(17)26-4/h6-11,13H,1-5H3	C22H22O7	398.406	7	0	80.29	3	7	0	0.2752	3.93687	3.11	3.748	57.1328	109.667	2.9065	368.002202964196
Cond-003355	NPD3435	NPD3435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.1881188119	Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)c1cc2c(OCCO2)cc1	InChI=1S/C21H19NO5/c1-12-13(2)21(23)27-20-15(12)4-6-17-16(20)10-22(11-26-17)14-3-5-18-19(9-14)25-8-7-24-18/h3-6,9H,7-8,10-11H2,1-2H3	C21H19NO5	365.379	6	0	57.23	5	1	0	0.860699999999999	5.32255	3.11	2.997	51.3001	107.753	2.5738	322.046066444574
Cond-003356	NPD3436	NPD3436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4664191193	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)N	InChI=1S/C23H20ClN5O5/c1-9-6-12-18(13(24)7-9)27-22(34)23(12)17-16(14(28-23)8-15(25)30)20(32)29(21(17)33)11-4-2-10(3-5-11)19(26)31/h2-7,14,16-17,28H,8H2,1H3,(H2,25,30)(H2,26,31)(H,27,34)/t14?,16-,17+,23?/m1/s1	C23H20ClN5O5	481.888	10	6	164.69	5	4	0	-2.2867	0.54941	2.78	0.0559999999999998	66.6185	123.3202	3.2482	407.926768197008
Cond-003357	NPD3437	NPD3437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.498665761	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(Cl)cc1)c1cc(Cl)ccc1	InChI=1S/C33H24Cl2N4O3/c34-21-14-12-19(13-15-21)18-36-31(40)24-9-2-4-11-27(24)39-32(41)28-17-25-23-8-1-3-10-26(23)37-29(25)30(38(28)33(39)42)20-6-5-7-22(35)16-20/h1-16,28,30,37H,17-18H2,(H,36,40)/t28-,30?/m0/s1	C33H24Cl2N4O3	595.475	7	2	85.51	7	6	1	-0.4513	6.08198000000001	4.1	7.569	53.1551	164.9047	4.13020000000001	496.925257711219
Cond-003358	NPD3438	NPD3438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6500897579	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOC(C)C)c1ccc(cc1)C(C)C	InChI=1S/C35H38N4O4/c1-21(2)23-14-16-24(17-15-23)32-31-27(25-10-5-7-12-28(25)37-31)20-30-34(41)39(35(42)38(30)32)29-13-8-6-11-26(29)33(40)36-18-9-19-43-22(3)4/h5-8,10-17,21-22,30,32,37H,9,18-20H2,1-4H3,(H,36,40)/t30-,32?/m0/s1	C35H38N4O4	578.701	8	2	94.74	6	10	1	-1.7453	5.85298000000001	4.43	8.186	80.6299	170.1557	4.46350000000001	541.051152925847
Cond-003359	NPD344	NPD344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2772277228	CCCc1cc2c(occ(c2=O)c2cc3c(OCCO3)cc2)cc1OCC(=O)OC	InChI=1S/C23H22O7/c1-3-4-15-9-16-20(11-19(15)30-13-22(24)26-2)29-12-17(23(16)25)14-5-6-18-21(10-14)28-8-7-27-18/h5-6,9-12H,3-4,7-8,13H2,1-2H3	C23H22O7	410.417	7	0	80.29	4	7	0	-1.4707	5.13185000000001	3.22	3.812	59.8131	116.6795	2.9388	372.941728889263
Cond-003360	NPD3440	NPD3440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.5610473082	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)Nc1c(C)ccc(C)c1)[C@H]2c1cc(OC)c(OC)c(OC)c1	InChI=1S/C28H38N2O5/c1-18-9-10-19(2)22(14-18)29-25(31)17-30-13-12-28(32)11-7-6-8-21(28)26(30)20-15-23(33-3)27(35-5)24(16-20)34-4/h9-10,14-16,21,26,32H,6-8,11-13,17H2,1-5H3,(H,29,31)/t21-,26-,28-/m0/s1	C28H38N2O5	482.612	7	2	80.26	4	8	0	-1.1377	4.62283000000001	3.77	4.328	81.272	137.2625	3.8115	469.107636435408
Cond-003361	NPD3441	NPD3441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0759169397	COC(=O)c1ccccc1NC(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C25H19NO6/c1-30-25(29)19-9-5-6-10-21(19)26-23(27)15-31-17-11-12-18-20(16-7-3-2-4-8-16)14-24(28)32-22(18)13-17/h2-14H,15H2,1H3,(H,26,27)	C25H19NO6	429.421	7	1	90.93	4	8	1	-0.9051	4.99346	3.44	6.983	40.9261	121.9892	3.08970000000001	388.294396845402
Cond-003362	NPD3442	NPD3442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.5053455279	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3cc(C)cc4C)[C@@H]1C(=O)N(C1CCCC1)C2=O	InChI=1S/C23H29N3O3S/c1-12-10-13(2)19-15(11-12)23(22(29)24-19)18-17(16(25-23)8-9-30-3)20(27)26(21(18)28)14-6-4-5-7-14/h10-11,14,16-18,25H,4-9H2,1-3H3,(H,24,29)/t16?,17-,18+,23?/m1/s1	C23H29N3O3S	427.56	6	2	103.81	5	4	0	-1.9401	2.70633	3.22	2.854	83.2311	118.0154	3.1873	395.733044170719
Cond-003363	NPD3443	NPD3443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.1790619644	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C27H31N5O7/c1-15(2)12-19(23(34)30-20(26(37)38)14-22(28)33)29-24(35)21(13-16-8-4-3-5-9-16)32-25(36)17-10-6-7-11-18(17)31-27(32)39/h3-11,15,19-21H,12-14H2,1-2H3,(H2,28,33)(H,29,35)(H,30,34)(H,31,39)(H,37,38)/t19-,20-,21-/m0/s1	C27H31N5O7	537.564	12	6	191.49	3	14	2	-1.8878	1.40648	3.11	4.202	83.5654	145.0909	3.98100000000001	501.556551031964
Cond-003364	NPD3444	NPD3444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2665174662	CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1	InChI=1S/C28H26O7/c1-4-14-32-28(30)20-8-10-21(11-9-20)35-27-18(2)34-25-16-23(12-13-24(25)26(27)29)33-17-19-6-5-7-22(15-19)31-3/h5-13,15-16H,4,14,17H2,1-3H3	C28H26O7	474.502	7	0	80.29	4	10	1	-1.0688	5.28168000000001	3.77	6.641	56.752	131.0655	3.5143	440.612275916197
Cond-003365	NPD3445	NPD3445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2868744191	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NCc1ccccc1	InChI=1S/C28H25N3O4/c1-34-22-13-12-18-23(26(22)35-2)28(33)31-21(27(32)29-15-16-8-4-3-5-9-16)14-19-17-10-6-7-11-20(17)30-24(19)25(18)31/h3-13,21,25,30H,14-15H2,1-2H3,(H,29,32)/t21-,25?/m0/s1	C28H25N3O4	467.516	7	2	83.66	6	6	0	-1.9271	3.22049	3.77	4.927	49.1129	133.9377	3.42040000000001	411.618959037414
Cond-003366	NPD3446	NPD3446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1386138614	CCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc(Cl)c(OC)cc1	InChI=1S/C21H20ClNO4/c1-3-4-13-9-20(24)27-21-15(13)6-8-18-16(21)11-23(12-26-18)14-5-7-19(25-2)17(22)10-14/h5-10H,3-4,11-12H2,1-2H3	C21H20ClNO4	385.841	5	0	48	4	4	0	0.468800000000001	6.10266	3.11	4.599	55.3854	110.881	2.7461	340.823366215246
Cond-003367	NPD3447	NPD3447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.710493674	[C@@H]1(N2C(CC2=O)S(=O)(=O)C1(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC1CCCCC1	InChI=1S/C25H32N4O5S/c1-25(2)22(29-20(30)13-21(29)35(25,33)34)24(32)28-19(23(31)27-16-8-4-3-5-9-16)12-15-14-26-18-11-7-6-10-17(15)18/h6-7,10-11,14,16,19,21-22,26H,3-5,8-9,12-13H2,1-2H3,(H,27,31)(H,28,32)/t19-,21?,22+/m0/s1	C25H32N4O5S	500.61	9	3	136.82	5	8	0	-3.7311	3.01608	3.11	2.048	85.2277	135.7474	3.6433	445.365768330942
Cond-003368	NPD3448	NPD3448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.400986277	CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)n(C)c2ccccc2c1=O)C(=O)O	InChI=1S/C23H25N3O5S/c1-25-18-11-7-6-10-16(18)21(28)26(23(25)31)19(14-15-8-4-3-5-9-15)20(27)24-17(22(29)30)12-13-32-2/h3-11,17,19H,12-14H2,1-2H3,(H,24,27)(H,29,30)/t17-,19-/m0/s1	C23H25N3O5S	455.527	8	2	132.32	3	10	1	-1.3588	2.86629	3	5.206	67.8666	126.153	3.3499	416.580580170241
Cond-003369	NPD3449	NPD3449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.0653636498	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1ccc(CC)cc1	InChI=1S/C23H25NO3/c1-3-5-6-17-13-22(25)27-23-19(17)11-12-21-20(23)14-24(15-26-21)18-9-7-16(4-2)8-10-18/h7-13H,3-6,14-15H2,1-2H3	C23H25NO3	363.449	4	0	38.77	4	5	1	-0.204800000000001	6.39316000000001	3.55	6.619	55.7161	113.314	2.8468	351.414040995985
Cond-003370	NPD345	NPD345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7037889889	[C@@H]12C[C@@]3(O)N(N=C(C)[C@H]3[C@@H]1C2(C)C)C(=O)C(=O)N1N=C(C)[C@H]2[C@H]3[C@@H](C[C@@]12O)C3(C)C	InChI=1S/C22H30N4O4/c1-9-13-15-11(19(15,3)4)7-21(13,29)25(23-9)17(27)18(28)26-22(30)8-12-16(20(12,5)6)14(22)10(2)24-26/h11-16,29-30H,7-8H2,1-6H3/t11-,12-,13+,14+,15-,16-,21+,22+/m1/s1	C22H30N4O4	414.498	8	2	105.8	6	3	0	-0.621800000000001	2.41787	3	3.674	106.7698	113.5966	3.0188	383.53148109678
Cond-003371	NPD3450	NPD3450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.1906754334	CC(C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3C)c(C)c2oc1=O)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C26H30N2O7/c1-12(2)21(24(30)28-8-6-7-19(28)25(31)32)27-20(29)10-18-14(4)17-9-16-13(3)11-34-22(16)15(5)23(17)35-26(18)33/h9,11-12,19,21H,6-8,10H2,1-5H3,(H,27,29)(H,31,32)/t19-,21-/m0/s1	C26H30N2O7	482.526	9	2	126.15	4	8	0	-0.0229000000000034	3.33981	3.33	2.078	90.3958	129.7215	3.5611	446.823203183197
Cond-003372	NPD3451	NPD3451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.854175488	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCc1ccccc1)c1ccc(OC)cc1	InChI=1S/C35H30N4O4/c1-43-26-17-13-23(14-18-26)32-31-28(27-9-5-6-10-29(27)37-31)21-30-34(41)38(35(42)39(30)32)25-15-11-24(12-16-25)33(40)36-20-19-22-7-3-2-4-8-22/h2-18,30,32,37H,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O4	570.637	8	2	94.74	7	8	1	-1.7361	5.16578000000001	4.43	8.13500000000001	53.6915	167.0597	4.22590000000001	509.885318122647
Cond-003373	NPD3452	NPD3452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.9405940594	FC(F)(F)c1cccc(c1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C22H14F3NO3/c23-22(24,25)13-4-3-5-14(10-13)26-11-18-19(28-12-26)9-8-16-15-6-1-2-7-17(15)21(27)29-20(16)18/h1-10H,11-12H2	C22H14F3NO3	397.347	4	0	38.77	5	2	1	0.8832	6.18107	3.11	6.958	26.1895	107.142	2.5644	323.791356818637
Cond-003374	NPD3453	NPD3453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1958557482	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCO	InChI=1S/C23H23N3O4/c1-3-30-19-9-8-14(12-20(19)29-2)21-22-16(15-6-4-5-7-17(15)25-22)13-18(26-21)23(28)24-10-11-27/h4-9,12-13,25,27H,3,10-11H2,1-2H3,(H,24,28)	C23H23N3O4	405.446	7	3	96.47	4	8	0	-1.3455	3.85777	3.22	3.061	41.6559	122.5955	3.0191	355.12487071128
Cond-003375	NPD3454	NPD3454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.9300292993	COc1cc(OCC(=O)Nc2ccc3OCCOc3c2)c2c(CCCCCC(=O)CCC[C@H](C)OC2=O)c1	InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(34-2)17-26(28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1	C29H35NO8	525.59	9	1	109.39	4	6	0	-2.9895	5.95437000000001	3.66	4.781	83.0571	145.7837	3.9427	496.504623553192
Cond-003376	NPD3455	NPD3455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6796094853	C[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C20H21NO6/c1-8-12(5)26-17-10(3)18-14(6-13(8)17)9(2)15(20(25)27-18)7-16(22)21-11(4)19(23)24/h6,11H,7H2,1-5H3,(H,21,22)(H,23,24)/t11-/m0/s1	C20H21NO6	371.384	7	2	105.84	3	5	0	1.2513	2.72153	2.89	1.997	66.4595	101.8915	2.7088	338.253225920868
Cond-003377	NPD3456	NPD3456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.056769756	COc1cc2c([nH]c3c2CCNC3c2c(O)n(c(=O)n(c2=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1	InChI=1S/C30H28N4O4/c1-17-4-8-19(9-5-17)33-28(35)25(29(36)34(30(33)37)20-10-6-18(2)7-11-20)27-26-22(14-15-31-27)23-16-21(38-3)12-13-24(23)32-26/h4-13,16,27,31-32,35H,14-15H2,1-3H3	C30H28N4O4	508.568	8	3	97.9	6	4	1	0.0221999999999991	5.65879000000001	3.88	6.293	61.7831	148.9945	3.75900000000001	454.571229796514
Cond-003378	NPD3457	NPD3457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.6892117527	COCC[NH+](CCOC)Cc1cc(=O)oc2cc(c([O-])cc12)c1ccccc1	InChI=1S/C22H25NO5/c1-26-10-8-23(9-11-27-2)15-17-12-22(25)28-21-14-18(20(24)13-19(17)21)16-6-4-3-5-7-16/h3-7,12-14,24H,8-11,15H2,1-2H3	C22H25NO5	383.438	6	1	72.26	3	9	0	-2.2092	1.50767	3.22	3.388	53.5077	109.3777	2.9319	364.054968472041
Cond-003379	NPD3458	NPD3458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9060059913	CCOc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccc(OC)cc1	InChI=1S/C27H25NO5/c1-4-31-22-11-7-20(8-12-22)28-15-19-13-24-23(18-5-9-21(30-3)10-6-18)14-25(29)33-27(24)17(2)26(19)32-16-28/h5-14H,4,15-16H2,1-3H3	C27H25NO5	443.491	6	0	57.23	5	5	1	0.739400000000002	6.12418000000001	3.77	5.674	53.2058	131.316	3.2902	407.012598097375
Cond-003380	NPD3459	NPD3459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.5303880888	Clc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC1CCCO1	InChI=1S/C23H20ClN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,26H,4,7,10,13H2,(H,25,28)	C23H20ClN3O2	405.877	5	2	67.01	5	5	0	-1.0682	5.29057000000001	3.33	4.684	36.6217	121.7727	2.9155	340.399026379791
Cond-003381	NPD346	NPD346	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	24.4794240136	CCCc1cc2c(oc(C)c(c2=O)c2ccc3OCCOc3c2)cc1OC(C)C	InChI=1S/C24H26O5/c1-5-6-16-11-18-21(13-20(16)28-14(2)3)29-15(4)23(24(18)25)17-7-8-19-22(12-17)27-10-9-26-19/h7-8,11-14H,5-6,9-10H2,1-4H3	C24H26O5	394.46	5	0	53.99	4	5	1	-0.714199999999999	5.99106	3.55	5.228	64.2765	117.267	3.0053	375.293718814808
Cond-003382	NPD3460	NPD3460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.1136479809	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1c2c(C)cc(=O)oc2cc(C)c1	InChI=1S/C27H25NO6S/c1-17-9-11-21(12-10-17)35(31,32)28-22(16-20-7-5-4-6-8-20)27(30)34-24-14-18(2)13-23-26(24)19(3)15-25(29)33-23/h4-15,22,28H,16H2,1-3H3	C27H25NO6S	491.555	7	1	107.15	4	8	1	0.878099999999999	4.626	3.55	7.714	57.4429	129.2787	3.57800000000001	444.031848855536
Cond-003383	NPD3461	NPD3461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6743429163	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(CC)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccccc1	InChI=1S/C30H27N3O3/c1-2-18-14-15-23-21(17-18)30(28(36)32-23)29(20-11-6-7-12-22(20)31-27(29)35)25(24-13-8-16-33(24)30)26(34)19-9-4-3-5-10-19/h3-7,9-12,14-15,17,24-25H,2,8,13,16H2,1H3,(H,31,35)(H,32,36)/t24-,25-,29+,30+/m0/s1	C30H27N3O3	477.554	6	2	78.51	7	3	1	-2.6275	5.41128000000001	4.1	5.693	55.9559	140.0849	3.5349	435.964242887786
Cond-003384	NPD3462	NPD3462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.3290878906	Cc1coc2c1cc1c(C)c(CC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(=O)oc1c2C	InChI=1S/C24H27NO6/c1-12-11-30-21-14(3)22-18(8-17(12)21)13(2)19(24(29)31-22)9-20(26)25-10-15-4-6-16(7-5-15)23(27)28/h8,11,15-16H,4-7,9-10H2,1-3H3,(H,25,26)(H,27,28)/t15?,16-	C24H27NO6	425.474	7	2	105.84	4	6	0	1.5008	4.13061000000001	3.33	2.456	80.4493	116.6755	3.1638	395.080705723536
Cond-003385	NPD3463	NPD3463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9784095871	COc1ccc(cc1OC)c1c2n(ccc3cc(OC)c(OC)cc23)c(C(=O)C(=O)NCCO)c1c1ccccc1	InChI=1S/C32H30N2O7/c1-38-23-11-10-21(17-24(23)39-2)28-27(19-8-6-5-7-9-19)30(31(36)32(37)33-13-15-35)34-14-12-20-16-25(40-3)26(41-4)18-22(20)29(28)34/h5-12,14,16-18,35H,13,15H2,1-4H3,(H,33,37)	C32H30N2O7	554.59	9	2	107.73	5	11	2	-1.5297	5.48798	3.99	5.06	56.9377	162.461	4.0829	492.360358733597
Cond-003386	NPD3464	NPD3464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.431274562	CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)O	InChI=1S/C18H33N3O4S/c1-11(2)15(19)17(23)20-10-12-4-6-13(7-5-12)16(22)21-14(18(24)25)8-9-26-3/h11-15H,4-10,19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15-/m1/s1	C18H33N3O4S	387.537	7	5	146.82	1	12	1	-1.0009	1.44869	2.56	-0.846	97.2956	107.0796	3.1049	386.278558647547
Cond-003387	NPD3465	NPD3465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.125325345	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1ccc(OCC)cc1	InChI=1S/C23H25NO4/c1-3-5-6-16-13-22(25)28-23-19(16)11-12-21-20(23)14-24(15-27-21)17-7-9-18(10-8-17)26-4-2/h7-13H,3-6,14-15H2,1-2H3	C23H25NO4	379.449	5	0	48	4	6	1	-0.313100000000001	6.22946	3.44	5.495	56.9752	115.105	2.9055	360.204267696547
Cond-003388	NPD3466	NPD3466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5293883244	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c1C)c2	InChI=1S/C30H29N3O7/c1-16-15-39-25-13-26-22(12-21(16)25)17(2)19(30(38)40-26)7-8-27(34)31-10-9-28(35)33-24(29(36)37)11-18-14-32-23-6-4-3-5-20(18)23/h3-6,12-15,24,32H,7-11H2,1-2H3,(H,31,34)(H,33,35)(H,36,37)/t24-/m0/s1	C30H29N3O7	543.567	10	4	150.73	5	12	1	-0.7655	4.20848000000001	3.66	2.751	79.0599	152.2282	3.9439	482.301608390831
Cond-003389	NPD3467	NPD3467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6739077374	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCCc3ccccc3)c(C)c1c2	InChI=1S/C25H25NO4/c1-15-17(3)29-22-14-23-21(13-20(15)22)16(2)19(25(28)30-23)9-10-24(27)26-12-11-18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3,(H,26,27)	C25H25NO4	403.47	5	1	68.54	4	7	1	1.2845	4.85321000000001	3.66	5.834	58.546	120.7837	3.1013	378.62331954668
Cond-003390	NPD3468	NPD3468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2364177623	CC(Oc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)NCC(=O)NCC(=O)O	InChI=1S/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)	C21H24N2O7	416.424	9	3	131.03	3	9	0	-1.9966	1.83491	2.78	1.246	77.2931	110.4202	3.0082	386.236197455463
Cond-003391	NPD3469	NPD3469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9272155845	COc1c(OC)c2c(cc1)c(cc(=O)o2)c1cc2c(oc1=O)cc(OCc1cccc(Cl)c1)cc2	InChI=1S/C27H19ClO7/c1-31-22-9-8-19-20(13-24(29)35-25(19)26(22)32-2)21-11-16-6-7-18(12-23(16)34-27(21)30)33-14-15-4-3-5-17(28)10-15/h3-13H,14H2,1-2H3	C27H19ClO7	490.889	7	0	80.29	5	6	1	0.753699999999999	5.27096	3.55	5.49	57.2838	131.42	3.3442	423.534441659163
Cond-003392	NPD347	NPD347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.3289605285	CCCOc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OCC)c1	InChI=1S/C22H24O4/c1-5-11-25-18-9-7-16(8-10-18)17-12-19(23)21-14(3)26-15(4)22(21)20(13-17)24-6-2/h7-10,12-13H,5-6,11H2,1-4H3	C22H24O4	352.424	4	0	48.67	3	6	0	0.467	4.42022000000001	3.44	4.877	63.851	103.719	2.7734	344.267981563313
Cond-003393	NPD3470	NPD3470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9739342995	COc1ccc(CNC(=O)Cc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)cc1	InChI=1S/C24H23NO5/c1-13-15(3)29-21-11-22-19(9-18(13)21)14(2)20(24(27)30-22)10-23(26)25-12-16-5-7-17(28-4)8-6-16/h5-9,11H,10,12H2,1-4H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	6	0	0.914700000000001	4.08971	3.44	3.808	56.5446	117.0957	3.0191	370.117561621374
Cond-003394	NPD3472	NPD3472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8041545941	CCCCOC(=O)c1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccc(OC)cc1	InChI=1S/C30H29NO6/c1-4-5-14-35-30(33)21-6-10-23(11-7-21)31-17-22-15-26-25(20-8-12-24(34-3)13-9-20)16-27(32)37-29(26)19(2)28(22)36-18-31/h6-13,15-16H,4-5,14,17-18H2,1-3H3	C30H29NO6	499.554	7	0	74.3	5	8	1	-0.0634000000000013	6.68238000000001	3.99	6.603	64.322	145.3375	3.7286	465.054319974736
Cond-003395	NPD3474	NPD3474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0364614465	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCO	InChI=1S/C22H21N3O3/c1-2-28-19-10-6-4-8-15(19)20-21-16(14-7-3-5-9-17(14)24-21)13-18(25-20)22(27)23-11-12-26/h3-10,13,24,26H,2,11-12H2,1H3,(H,23,27)	C22H21N3O3	375.42	6	3	87.24	4	7	0	-1.2937	3.84917000000001	3.22	3.716	34.3401	116.0435	2.8195	329.038659384852
Cond-003396	NPD3475	NPD3475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.8689057421	[C@H]1(C)[C@H](OC(=O)CCC(=O)NC(C(C)O)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C23H35NO10/c1-11-5-6-15-12(2)20(30-17(27)8-7-16(26)24-18(13(3)25)19(28)29)31-21-23(15)14(11)9-10-22(4,32-21)33-34-23/h11-15,18,20-21,25H,5-10H2,1-4H3,(H,24,26)(H,28,29)/t11-,12-,13?,14+,15+,18?,20-,21-,22+,23?/m1/s1	C23H35NO10	485.525	11	3	149.85	3	9	1	-0.803599999999996	1.70189	2.78	1.951	104.2736	116.6443	3.4727	447.927921403914
Cond-003397	NPD3477	NPD3477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.2690998624	NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O	InChI=1S/C26H27N5O7/c27-21(32)14-18(24(35)30-12-6-11-19(30)25(36)37)28-22(33)20(13-15-7-2-1-3-8-15)31-23(34)16-9-4-5-10-17(16)29-26(31)38/h1-5,7-10,18-20H,6,11-14H2,(H2,27,32)(H,28,33)(H,29,38)(H,36,37)/t18-,19+,20-/m0/s1	C26H27N5O7	521.522	12	5	182.7	4	11	2	-3.2807	0.86658	3	2.992	75.3812	138.4402	3.7315	471.904107705297
Cond-003398	NPD3478	NPD3478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6938724882	CC(C)[C@H](C(=O)O)NC(=O)CNC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C22H22N2O7/c1-12(2)20(21(27)28)24-18(25)10-23-19(26)11-30-13-7-8-15-14-5-3-4-6-16(14)22(29)31-17(15)9-13/h3-9,12,20H,10-11H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t20-/m1/s1	C22H22N2O7	426.419	9	3	131.03	3	10	0	-1.7424	2.12418	2.89	2.95	56.7277	115.7122	3.0631	387.35926467973
Cond-003399	NPD3479	NPD3479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6229753542	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C25H28N4O6/c1-14(2)20(24(33)34)28-21(30)15(3)26-22(31)19(13-16-9-5-4-6-10-16)29-23(32)17-11-7-8-12-18(17)27-25(29)35/h4-12,14-15,19-20H,13H2,1-3H3,(H,26,31)(H,27,35)(H,28,30)(H,33,34)/t15-,19-,20-/m0/s1	C25H28N4O6	480.513	10	4	148.4	3	11	2	-1.4921	2.16088	3.11	5.033	73.0216	132.3365	3.58370000000001	449.814053572303
Cond-003400	NPD3481	NPD3481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.097876495	Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Cl)ccc2)cc1	InChI=1S/C26H20ClN3O/c1-16-9-11-17(12-10-16)15-28-26(31)23-14-21-20-7-2-3-8-22(20)29-25(21)24(30-23)18-5-4-6-19(27)13-18/h2-14,29H,15H2,1H3,(H,28,31)	C26H20ClN3O	425.909	4	2	57.78	5	5	1	0.3427	6.00029	3.77	7.562	26.5714	130.9617	3.15050000000001	364.68737745443
Cond-003401	NPD3483	NPD3483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.1007796847	O=C(N1CCOCC1)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C23H19N3O4/c27-23(26-7-9-28-10-8-26)18-12-16-15-3-1-2-4-17(15)24-22(16)21(25-18)14-5-6-19-20(11-14)30-13-29-19/h1-6,11-12,24H,7-10,13H2	C23H19N3O4	401.415	7	1	76.68	6	3	0	-1.4656	4.43026	3.22	3.016	38.6815	120.362	2.8019	330.41195330968
Cond-003402	NPD3484	NPD3484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.6956174703	CC(C)CN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Br)cc1	InChI=1S/C25H26BrN3O2/c1-15(2)12-28-14-21(30)29-13-19(16-8-10-17(26)11-9-16)22-18-6-4-5-7-20(18)27-23(22)25(29,3)24(28)31/h4-11,15,19,27H,12-14H2,1-3H3/t19?,25-/m0/s1	C25H26BrN3O2	480.397	5	1	56.41	5	3	0	-0.2866	4.47199000000001	3.55	4.653	66.6447	128.044	3.2929	392.600005539458
Cond-003403	NPD3485	NPD3485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.49141864	C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C24H25N5O7/c1-13(23(34)35)26-20(31)17(12-19(25)30)27-21(32)18(11-14-7-3-2-4-8-14)29-22(33)15-9-5-6-10-16(15)28-24(29)36/h2-10,13,17-18H,11-12H2,1H3,(H2,25,30)(H,26,31)(H,27,32)(H,28,36)(H,34,35)/t13-,17-,18-/m0/s1	C24H25N5O7	495.485	12	6	191.49	3	12	2	-2.665	0.38028	2.78	2.767	70.7445	131.3099	3.5583	449.668597154364
Cond-003404	NPD3487	NPD3487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.047028539	[C@@H]12Cc3c([nH]c4ccccc34)C(C)N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccco1	InChI=1S/C26H22N4O4/c1-15-23-19(17-8-2-4-10-20(17)28-23)13-22-25(32)30(26(33)29(15)22)21-11-5-3-9-18(21)24(31)27-14-16-7-6-12-34-16/h2-12,15,22,28H,13-14H2,1H3,(H,27,31)/t15?,22-/m0/s1	C26H22N4O4	454.477	8	2	98.65	6	5	0	-2.0427	3.33728	3.44	4.132	49.4417	130.6367	3.2384	388.023749993847
Cond-003405	NPD3488	NPD3488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8234090245	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OC/C=C/c1ccccc1	InChI=1S/C28H20O5/c1-18-24(31-15-7-10-19-8-3-2-4-9-19)14-13-21-22(17-26(29)33-27(18)21)23-16-20-11-5-6-12-25(20)32-28(23)30/h2-14,16-17H,15H2,1H3/b10-7+	C28H20O5	436.455	5	0	61.83	5	5	1	1.2228	5.85387	3.99	8.637	52.8573	129.164	3.20230000000001	405.402446412674
Cond-003406	NPD3489	NPD3489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.8804015714	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2c(OC)cccc2)cc1	InChI=1S/C23H22N4O5/c1-31-12-7-8-15-14(11-12)13-9-10-24-20(19(13)25-15)18-21(28)26-23(30)27(22(18)29)16-5-3-4-6-17(16)32-2/h3-8,11,20,24-25,28H,9-10H2,1-2H3,(H,26,30)	C23H22N4O5	434.445	9	4	119.41	5	4	0	-0.7604	3.26935	3	2.289	59.1296	124.4043	3.069	373.455398919208
Cond-003407	NPD349	NPD349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2315072733	[C@H](N)(C(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(c(C)o2)c1ccc(F)cc1	InChI=1S/C21H20FNO4/c1-11(2)19(23)21(25)27-15-8-9-16-17(10-15)26-12(3)18(20(16)24)13-4-6-14(22)7-5-13/h4-11,19H,23H2,1-3H3/t19-/m0/s1	C21H20FNO4	369.386	5	2	78.62	3	5	0	-0.0985000000000023	4.77346	3.11	4.45	50.1007	105.1459	2.707	341.399857295119
Cond-003408	NPD3490	NPD3490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6663985522	Cc1c(CC(=O)NCCCc2ccccc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C26H29NO4/c1-17-20-14-19-11-12-26(2,3)31-22(19)16-23(20)30-25(29)21(17)15-24(28)27-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3,(H,27,28)	C26H29NO4	419.513	5	1	64.63	4	7	1	0.571499999999999	5.67456000000001	3.77	6.614	68.8564	126.3917	3.2852	409.455762873347
Cond-003409	NPD3491	NPD3491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.938205849	Cc1c2oc(=O)c(CC(=O)N3CCC(CC3)C(=O)N)c(C)c2cc2c1occ2c1ccccc1	InChI=1S/C27H26N2O5/c1-15-19-12-21-22(17-6-4-3-5-7-17)14-33-24(21)16(2)25(19)34-27(32)20(15)13-23(30)29-10-8-18(9-11-29)26(28)31/h3-7,12,14,18H,8-11,13H2,1-2H3,(H2,28,31)	C27H26N2O5	458.506	7	2	102.84	5	5	0	-0.8169	4.53469000000001	3.66	3.829	65.0948	131.7604	3.39	418.009358305541
Cond-003410	NPD3492	NPD3492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.2775284777	COC(=O)C(C)Oc1ccc2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/Oc2c1C	InChI=1S/C23H24O8/c1-12-16(30-13(2)23(25)29-6)8-7-15-20(24)17(31-21(12)15)9-14-10-18(26-3)22(28-5)19(11-14)27-4/h7-11,13H,1-6H3/b17-9-	C23H24O8	428.432	8	0	89.52	3	8	0	-0.159000000000001	4.40439	3.11	3.354	66.8899	117.7905	3.1061	394.088414290624
Cond-003411	NPD3493	NPD3493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.9667782143	COc1cc(COc2ccc3C(=O)/C(=C/C4=Cc5ccccc5OC4)/Oc3c2)ccc1	InChI=1S/C26H20O5/c1-28-20-7-4-5-17(12-20)15-29-21-9-10-22-24(14-21)31-25(26(22)27)13-18-11-19-6-2-3-8-23(19)30-16-18/h2-14H,15-16H2,1H3/b25-13-	C26H20O5	412.434	5	0	53.99	5	5	1	-0.4615	5.08236	3.77	5.858	45.6883	119.718	3.0065	376.083394562541
Cond-003412	NPD3494	NPD3494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3270104722	CCC(C)[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O	InChI=1S/C19H24ClN3O4/c1-5-10(2)16(19(26)27)22-17(24)11(3)21-18(25)15-9-12-8-13(20)6-7-14(12)23(15)4/h6-11,16H,5H2,1-4H3,(H,21,25)(H,22,24)(H,26,27)/t10?,11-,16-/m0/s1	C19H24ClN3O4	393.865	7	3	100.43	2	9	0	-1.0158	3.20458	2.67	2.819	66.2025	108.1627	2.9241	355.574293482246
Cond-003413	NPD3495	NPD3495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.95617059	CC(C)OC(=O)COc1ccc2C(=O)/C(=C/C3=Cc4c(OC3C)cccc4)/Oc2c1	InChI=1S/C24H22O6/c1-14(2)28-23(25)13-27-18-8-9-19-21(12-18)30-22(24(19)26)11-17-10-16-6-4-5-7-20(16)29-15(17)3/h4-12,14-15H,13H2,1-3H3/b22-11-	C24H22O6	406.428	6	0	71.06	4	6	1	-0.672699999999999	5.31945000000001	3.44	5.139	64.2937	116.7485	2.978	378.811028113769
Cond-003414	NPD3496	NPD3496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6678057419	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1cccc(Cl)c1	InChI=1S/C26H17ClO5/c1-15-22(30-14-16-5-4-7-18(27)11-16)10-9-19-20(13-24(28)32-25(15)19)21-12-17-6-2-3-8-23(17)31-26(21)29/h2-13H,14H2,1H3	C26H17ClO5	444.863	5	0	61.83	5	4	1	1.4993	5.83728	3.66	6.701	48.1543	124.283	3.0859	388.658003632174
Cond-003415	NPD3497	NPD3497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.911064185	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(Cl)c(OC)cc3OC)cc12	InChI=1S/C23H24ClNO5/c1-5-6-14-8-21(26)30-23-13(2)22-15(7-16(14)23)11-25(12-29-22)18-9-17(24)19(27-3)10-20(18)28-4/h7-10H,5-6,11-12H2,1-4H3	C23H24ClNO5	429.893	6	0	57.23	4	5	0	1.059	6.13928	3.22	4.267	68.2033	121.073	3.0866	384.205562167541
Cond-003416	NPD3498	NPD3498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5265438259	CC(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(ccc(=O)o2)cc1	InChI=1S/C20H17NO6/c1-13(21-20(24)25-12-14-5-3-2-4-6-14)19(23)26-16-9-7-15-8-10-18(22)27-17(15)11-16/h2-11,13H,12H2,1H3,(H,21,24)	C20H17NO6	367.352	7	1	90.93	3	8	1	0.000699999999999923	3.05157	2.89	5.049	45.5534	99.4567	2.6228	332.980308519268
Cond-003417	NPD3499	NPD3499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5499145716	COc1c(C)c2c(cc1)c(C)c(CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)NCCC(=O)O)c(=O)o2	InChI=1S/C26H27ClN2O7/c1-14-18-8-9-21(35-3)15(2)24(18)36-26(34)19(14)13-22(30)29-20(25(33)28-11-10-23(31)32)12-16-4-6-17(27)7-5-16/h4-9,20H,10-13H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)	C26H27ClN2O7	514.955	9	3	131.03	3	12	1	0.439099999999999	4.0678	3.22	2.941	82.2068	139.4602	3.7061	469.11781225283
Cond-003418	NPD35	NPD35	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.959455277	COc1ccc2C3CC[C@@]4(C)C(CC[C@@]4(OC(=O)C)C#C)C3CCc2c1	InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3/t19?,20?,21?,22-,23-/m0/s1	C23H28O3	352.467	3	0	35.53	4	3	1	1.3917	4.79988000000001	3.66	5.926	74.7083	103.539	2.833	356.590198189419
Cond-003419	NPD350	NPD350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4332566026	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1oc(c2c1ccc(Cl)cc1)c1ccccc1	InChI=1S/C30H19ClO3/c1-18-28-24(23(17-26(32)33-28)19-8-4-2-5-9-19)16-25-27(20-12-14-22(31)15-13-20)30(34-29(18)25)21-10-6-3-7-11-21/h2-17H,1H3	C30H19ClO3	462.923	3	0	39.44	6	3	1	1.3066	8.37378000000001	4.32	10.518	28.0519	143.065	3.33750000000001	400.832112632119
Cond-003420	NPD3500	NPD3500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6498064893	CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)c12	InChI=1S/C25H27NO6/c1-4-5-11-19-14-22(27)31-20-12-16(2)13-21(23(19)20)32-24(28)17(3)26-25(29)30-15-18-9-7-6-8-10-18/h6-10,12-14,17H,4-5,11,15H2,1-3H3,(H,26,29)/t17-/m1/s1	C25H27NO6	437.485	7	1	90.93	3	11	2	-0.0152000000000005	4.63999000000001	3.44	7.036	66.4227	121.5647	3.3273	419.460231648602
Cond-003421	NPD3502	NPD3502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2175226586	Cc1c(CCC(=O)N2CCC(CC2)C(=O)N)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C25H28N2O5/c1-14-16(6-7-23(28)27-10-8-15(9-11-27)24(26)29)25(30)32-21-13-22-19(12-18(14)21)17-4-2-3-5-20(17)31-22/h12-13,15H,2-11H2,1H3,(H2,26,29)	C25H28N2O5	436.5	7	2	102.84	5	5	0	-1.6545	3.98626000000001	3.44	2.063	79.5985	125.2224	3.2372	402.226765156208
Cond-003422	NPD3503	NPD3503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5557855878	Clc1ccc(cc1)C(=O)COc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)cccc3)c1	InChI=1S/C26H15ClO6/c27-17-7-5-15(6-8-17)22(28)14-31-18-9-10-19-20(13-25(29)32-24(19)12-18)21-11-16-3-1-2-4-23(16)33-26(21)30/h1-13H,14H2	C26H15ClO6	458.847	6	0	78.9	5	5	1	0.3801	5.27596	3.55	6.074	47.848	124.5655	3.1016	394.811771631935
Cond-003423	NPD3504	NPD3504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5459940653	COc1cc(c(OC)cc1)c1cc2ccc(OC(=O)N(C)C)cc2oc1=O	InChI=1S/C20H19NO6/c1-21(2)20(23)26-14-6-5-12-9-16(19(22)27-18(12)11-14)15-10-13(24-3)7-8-17(15)25-4/h5-11H,1-4H3	C20H19NO6	369.368	7	0	74.3	3	6	0	0.1981	3.66687	2.89	3.46	50.208	102.655	2.6658	335.616767220068
Cond-003424	NPD3505	NPD3505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.1084817999	Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C20H21NO6/c1-10-11-5-13-14(20(2,3)4)9-26-15(13)7-16(11)27-19(25)12(10)6-17(22)21-8-18(23)24/h5,7,9H,6,8H2,1-4H3,(H,21,22)(H,23,24)	C20H21NO6	371.384	7	2	105.84	3	6	0	0.988000000000003	3.74838	2.89	2.545	64.1901	103.7095	2.7088	338.253225920868
Cond-003425	NPD3506	NPD3506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9380339219	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)O)c1cc(Cl)ccc1	InChI=1S/C26H18ClN3O4/c27-15-7-5-6-14(12-15)23-22-18(16-8-1-3-10-19(16)28-22)13-21-24(31)30(26(34)29(21)23)20-11-4-2-9-17(20)25(32)33/h1-12,21,23,28H,13H2,(H,32,33)/t21-,23?/m0/s1	C26H18ClN3O4	471.892	7	2	93.71	6	3	1	-0.8122	4.53628	3.44	5.408	42.6051	129.9978	3.21800000000001	389.601598855313
Cond-003426	NPD3507	NPD3507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.4455445545	Cc1cc(Br)ccc1N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C24H18BrNO3/c1-15-11-17(25)7-9-21(15)26-13-20-22(28-14-26)10-8-18-19(12-23(27)29-24(18)20)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3	C24H18BrNO3	448.309	4	0	38.77	5	2	1	1.4814	6.53409	3.55	7.628	42.8795	121.561	2.9251	356.827809796219
Cond-003427	NPD3508	NPD3508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8279897028	CCCCOCCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O	InChI=1S/C26H36N4O4/c1-5-6-15-34-16-9-13-27-23(31)21(17(2)3)30-24(32)26(4)22-19(12-14-29(26)25(30)33)18-10-7-8-11-20(18)28-22/h7-8,10-11,17,21,28H,5-6,9,12-16H2,1-4H3,(H,27,31)/t21-,26-/m0/s1	C26H36N4O4	468.588	8	2	94.74	4	11	1	-1.9008	3.36708	3.44	3.201	90.8049	134.2207	3.6706	447.718960899447
Cond-003428	NPD3509	NPD3509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.3891182079	CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](CC(=O)N)C(=O)O	InChI=1S/C26H29N5O7S/c1-39-12-11-18(22(33)29-19(25(36)37)14-21(27)32)28-23(34)20(13-15-7-3-2-4-8-15)31-24(35)16-9-5-6-10-17(16)30-26(31)38/h2-10,18-20H,11-14H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,38)(H,36,37)/t18-,19+,20-/m0/s1	C26H29N5O7S	555.603	12	6	216.79	3	15	2	-2.2998	1.11348	2.89	3.738	85.9598	148.6349	4.0036	502.769590463697
Cond-003429	NPD351	NPD351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6838830118	[C@H](C)(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1CC)c(C)cc(=O)o2	InChI=1S/C23H23NO6/c1-4-17-11-18-14(2)10-21(25)29-20(18)12-19(17)30-22(26)15(3)24-23(27)28-13-16-8-6-5-7-9-16/h5-12,15H,4,13H2,1-3H3,(H,24,27)/t15-/m1/s1	C23H23NO6	409.432	7	1	90.93	3	9	1	0.754	4.50486000000001	3.22	5.792	60.1859	115.5127	3.0455	384.868262396869
Cond-003430	NPD3510	NPD3510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.64760529	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(C)cc1)c1ccc(F)cc1	InChI=1S/C34H27FN4O3/c1-20-10-12-21(13-11-20)19-36-32(40)25-7-3-5-9-28(25)39-33(41)29-18-26-24-6-2-4-8-27(24)37-30(26)31(38(29)34(39)42)22-14-16-23(35)17-15-22/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27FN4O3	558.602	7	2	85.51	7	6	1	-0.8182	4.94230000000001	4.32	8.292	48.2985	158.4827	4.04400000000001	489.866665646526
Cond-003431	NPD3511	NPD3511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.501564285	CCCC(NC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O	InChI=1S/C19H23NO7/c1-5-6-13(18(22)23)20-17(21)8-12-10(2)11-7-15(25-3)16(26-4)9-14(11)27-19(12)24/h7,9,13H,5-6,8H2,1-4H3,(H,20,21)(H,22,23)	C19H23NO7	377.388	8	2	111.16	2	9	0	-0.9977	2.70787	2.67	1.676	68.5585	101.1085	2.7782	355.640385397163
Cond-003432	NPD3512	NPD3512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.846338242	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCCCOC	InChI=1S/C23H23N3O3/c1-29-12-6-11-24-22(27)19-13-17-14-7-4-5-10-18(14)25-20(17)21-15-8-2-3-9-16(15)23(28)26(19)21/h2-5,7-10,19,21,25H,6,11-13H2,1H3,(H,24,27)/t19-,21?/m0/s1	C23H23N3O3	389.447	6	2	74.43	5	6	0	-2.1517	2.37909	3.33	3.497	49.4209	112.8037	2.8948	347.514644010719
Cond-003433	NPD3514	NPD3514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.475626278	CC(CN1COc2ccc3c(oc(=O)c4c3cccc4)c2C1)c1ccccc1	InChI=1S/C24H21NO3/c1-16(17-7-3-2-4-8-17)13-25-14-21-22(27-15-25)12-11-19-18-9-5-6-10-20(18)24(26)28-23(19)21/h2-12,16H,13-15H2,1H3	C24H21NO3	371.428	4	0	38.77	5	3	1	-0.0699	5.57538000000001	3.66	7.497	33.0024	115.136	2.7931	340.180649519452
Cond-003434	NPD3515	NPD3515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8013395056	CCOc1cc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)ccc1OCc1ccccc1	InChI=1S/C30H32N2O3/c1-5-34-27-18-22(12-14-26(27)35-20-23-9-7-6-8-10-23)15-16-30-29(3,4)24-17-21(2)11-13-25(24)32(30)19-28(33)31-30/h6-18H,5,19-20H2,1-4H3,(H,31,33)/b16-15+	C30H32N2O3	468.587	5	1	50.8	5	7	1	1.2767	5.56819000000001	4.21	7.831	64.5884	140.5957	3.6953	452.31685878202
Cond-003435	NPD3516	NPD3516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3599064419	Brc1cc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)ccc1	InChI=1S/C25H15BrO5/c26-17-6-3-4-15(10-17)14-29-18-8-9-19-20(13-24(27)30-23(19)12-18)21-11-16-5-1-2-7-22(16)31-25(21)28/h1-13H,14H2	C25H15BrO5	475.288	5	0	61.83	5	4	1	1.0018	5.36286	3.55	6.927	45.6357	121.006	2.9976	375.43457021344
Cond-003436	NPD3517	NPD3517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7717252866	COc1ccc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C23H19NO4/c1-14-21-15(12-24(13-27-21)16-7-9-17(26-2)10-8-16)11-20-18-5-3-4-6-19(18)23(25)28-22(14)20/h3-11H,12-13H2,1-2H3	C23H19NO4	373.401	5	0	48	5	2	1	0.3753	5.53999	3.44	5.512	32.5728	113.11	2.7109	331.674891594146
Cond-003437	NPD3518	NPD3518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5583115538	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(OC(C)C)cc1	InChI=1S/C32H31N3O4/c1-18(2)39-21-15-13-20(14-16-21)28(36)26-25-12-7-17-35(25)32(23-10-6-8-19(3)27(23)34-30(32)38)31(26)22-9-4-5-11-24(22)33-29(31)37/h4-6,8-11,13-16,18,25-26H,7,12,17H2,1-3H3,(H,33,37)(H,34,38)/t25-,26-,31+,32+/m0/s1	C32H31N3O4	521.606	7	2	87.74	7	4	0	-2.3943	5.66410000000001	4.21	4.719	67.9219	150.1109	3.87540000000001	479.346438840081
Cond-003438	NPD3519	NPD3519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4352319992	[C@@H]12Cc3c([nH]c4ccccc34)C(C)(C)N1C(=O)N(C2=O)c1c(cccc1)C(=O)OC	InChI=1S/C23H21N3O4/c1-23(2)19-15(13-8-4-6-10-16(13)24-19)12-18-20(27)25(22(29)26(18)23)17-11-7-5-9-14(17)21(28)30-3/h4-11,18,24H,12H2,1-3H3/t18-/m0/s1	C23H21N3O4	403.431	7	1	82.71	5	3	0	-0.661000000000002	3.13368	3.22	4.198	52.1287	115.036	2.9105	353.66841201048
Cond-003439	NPD352	NPD352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	12.2461141183	COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1	InChI=1S/C31H42N2O5/c1-30-15-13-22(18-21(30)9-10-23-24-11-12-27(34)31(24,2)16-14-25(23)30)33-38-19-28(35)32-26(29(36)37-3)17-20-7-5-4-6-8-20/h4-8,18,23-27,34H,9-17,19H2,1-3H3,(H,32,35)/b33-22-/t23?,24?,25?,26?,27?,30-,31-/m0/s1	C31H42N2O5	522.676	7	2	97.22	5	9	1	-0.6545	4.89297000000001	4.1	7.139	116.9944	150.3205	4.1256	519.539131612208
Cond-003440	NPD3520	NPD3520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.642723718	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC)c1cc(OC)ccc1	InChI=1S/C29H25N3O5/c1-3-37-28(34)17-11-13-19(14-12-17)31-27(33)24-16-22-21-9-4-5-10-23(21)30-25(22)26(32(24)29(31)35)18-7-6-8-20(15-18)36-2/h4-15,24,26,30H,3,16H2,1-2H3/t24-,26?/m0/s1	C29H25N3O5	495.526	8	1	91.94	6	6	1	-1.1069	4.36998000000001	3.77	5.401	53.3682	140.537	3.577	435.068711663041
Cond-003441	NPD3521	NPD3521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.0044083584	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCN1CCOCC1)c1c(C)cccc1	InChI=1S/C33H33N5O4/c1-21-8-2-3-9-22(21)30-29-25(23-10-4-6-12-26(23)35-29)20-28-32(40)38(33(41)37(28)30)27-13-7-5-11-24(27)31(39)34-14-15-36-16-18-42-19-17-36/h2-13,28,30,35H,14-20H2,1H3,(H,34,39)/t28-,30?/m0/s1	C33H33N5O4	563.646	9	2	97.98	7	7	1	-1.3808	3.2747	4.1	5.511	75.5041	161.2607	4.1729	505.099485181481
Cond-003442	NPD3522	NPD3522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1466541743	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(C2=O)c1ccc2OCCOc2c1	InChI=1S/C31H25ClN4O5/c1-15-10-17(32)12-20-27(15)34-30(39)31(20)26-25(22(35-31)11-16-14-33-21-5-3-2-4-19(16)21)28(37)36(29(26)38)18-6-7-23-24(13-18)41-9-8-40-23/h2-7,10,12-14,22,25-26,33,35H,8-9,11H2,1H3,(H,34,39)/t22?,25-,26+,31?/m1/s1	C31H25ClN4O5	569.007	9	3	112.76	8	3	0	-1.6949	5.28698000000001	3.77	3.284	68.0143	158.1634	3.86380000000001	471.155591491775
Cond-003443	NPD3523	NPD3523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3530717617	CC(C)CNC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C21H25NO4/c1-11(2)10-22-20(23)7-6-15-13(4)17-8-16-12(3)14(5)25-18(16)9-19(17)26-21(15)24/h8-9,11H,6-7,10H2,1-5H3,(H,22,23)	C21H25NO4	355.427	5	1	68.54	3	6	0	1.6018	4.26651000000001	3.22	3.224	68.362	105.4757	2.7753	340.605215846413
Cond-003444	NPD3524	NPD3524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8570147692	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)c1ccc(cc1)C(C)C	InChI=1S/C35H36N4O5/c1-19(2)17-27(34(42)43)37-32(40)24-10-6-8-12-28(24)39-33(41)29-18-25-23-9-5-7-11-26(23)36-30(25)31(38(29)35(39)44)22-15-13-21(14-16-22)20(3)4/h5-16,19-20,27,29,31,36H,17-18H2,1-4H3,(H,37,40)(H,42,43)/t27-,29-,31?/m0/s1	C35H36N4O5	592.684	9	3	122.81	6	9	1	-0.947	5.80268000000001	4.32	8.478	80.7412	170.684	4.4792	547.204920925608
Cond-003445	NPD3525	NPD3525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3199845511	NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](CO)C(=O)O	InChI=1S/C25H27N5O8/c26-20(32)11-10-17(21(33)28-18(13-31)24(36)37)27-22(34)19(12-14-6-2-1-3-7-14)30-23(35)15-8-4-5-9-16(15)29-25(30)38/h1-9,17-19,31H,10-13H2,(H2,26,32)(H,27,34)(H,28,33)(H,29,38)(H,36,37)/t17-,18-,19-/m0/s1	C25H27N5O8	525.511	13	7	211.72	3	14	3	-3.453	-0.25722	2.78	1.993	75.0342	137.3387	3.75790000000001	475.754808480791
Cond-003446	NPD3526	NPD3526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5081999605	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C27H31N3O5S/c1-15(2)11-19(23(31)28-13-16-9-10-20-21(12-16)35-14-34-20)29-24(32)22-27(3,4)36-26-18-8-6-5-7-17(18)25(33)30(22)26/h5-10,12,15,19,22,26H,11,13-14H2,1-4H3,(H,28,31)(H,29,32)/t19-,22+,26?/m0/s1	C27H31N3O5S	509.617	8	2	122.27	5	9	0	-0.364300000000001	3.45429	3.44	4.72	84.613	140.4224	3.7393	463.688059972908
Cond-003447	NPD3527	NPD3527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4186596972	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O	InChI=1S/C24H21ClN4O6/c1-10-13(25)4-3-12-20(10)27-23(33)24(12)19-18(14(28-24)7-17(26)30)21(31)29(22(19)32)8-11-2-5-15-16(6-11)35-9-34-15/h2-6,14,18-19,28H,7-9H2,1H3,(H2,26,30)(H,27,33)/t14?,18-,19+,24?/m1/s1	C24H21ClN4O6	496.9	10	4	140.06	6	4	0	-1.943	1.6016	2.89	0.318	71.3613	125.5158	3.2824	413.296219315269
Cond-003448	NPD3528	NPD3528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.643324402	CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C27H30N4O6/c1-16(2)22(26(35)36)29-23(32)20-13-8-14-30(20)25(34)21(15-17-9-4-3-5-10-17)31-24(33)18-11-6-7-12-19(18)28-27(31)37/h3-7,9-12,16,20-22H,8,13-15H2,1-2H3,(H,28,37)(H,29,32)(H,35,36)/t20-,21-,22+/m0/s1	C27H30N4O6	506.55	10	3	139.61	4	10	1	-2.1078	2.64718	3.33	5.258	77.6583	139.4668	3.7569	472.049564123236
Cond-003449	NPD3529	NPD3529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1667654614	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C23H25N3O6/c1-14(21(28)25-20(23(30)31)15-6-4-3-5-7-15)24-22(29)16-12-19(27)26(13-16)17-8-10-18(32-2)11-9-17/h3-11,14,16,20H,12-13H2,1-2H3,(H,24,29)(H,25,28)(H,30,31)/t14-,16?,20+/m0/s1	C23H25N3O6	439.461	9	3	125.04	3	10	0	-2.5572	1.91478	3	2.651	62.2869	118.9092	3.2451	406.861782813202
Cond-003450	NPD353	NPD353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.07863516	COC(=O)c1ccccc1/N=c/1\nc2[nH]c3ccccc3c(=O)n2cc1Br	InChI=1S/C19H13BrN4O3/c1-27-18(26)12-7-3-5-9-15(12)21-16-13(20)10-24-17(25)11-6-2-4-8-14(11)22-19(24)23-16/h2-10H,1H3,(H,21,22,23)	C19H13BrN4O3	425.236	7	1	83.36	4	3	0	-0.7938	3.96705	2.67	4.582	51.2227	110.1802	2.6286	326.594625992185
Cond-003451	NPD3530	NPD3530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.3254511512	COc1cc(OC)c(CN2COc3c(C2)cc2c(C)c(Cc4ccccc4)c(=O)oc2c3C)cc1	InChI=1S/C29H29NO5/c1-18-24-13-22-16-30(15-21-10-11-23(32-3)14-26(21)33-4)17-34-27(22)19(2)28(24)35-29(31)25(18)12-20-8-6-5-7-9-20/h5-11,13-14H,12,15-17H2,1-4H3	C29H29NO5	471.544	6	0	57.23	5	6	1	1.5099	6.00309000000001	3.99	6.633	62.5823	140.129	3.572	441.604567349108
Cond-003452	NPD3531	NPD3531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8593652769	Clc1ccc(CCN2COc3ccc4c(cc(=O)oc4c3C2)c2ccccc2)cc1	InChI=1S/C25H20ClNO3/c26-19-8-6-17(7-9-19)12-13-27-15-22-23(29-16-27)11-10-20-21(14-24(28)30-25(20)22)18-4-2-1-3-5-18/h1-11,14H,12-13,15-16H2	C25H20ClNO3	417.884	4	0	38.77	5	4	1	0.962099999999999	5.85327	3.66	7.479	43.5579	122.472	3.0134	370.051243214952
Cond-003453	NPD3532	NPD3532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.587730061	COc1ccc(CCn2c(O)nc(O)c(C3N(C)CCc4c3[nH]c3c4cccc3)c2=O)cc1	InChI=1S/C25H26N4O4/c1-28-13-12-18-17-5-3-4-6-19(17)26-21(18)22(28)20-23(30)27-25(32)29(24(20)31)14-11-15-7-9-16(33-2)10-8-15/h3-10,22,26,30H,11-14H2,1-2H3,(H,27,32)	C25H26N4O4	446.498	8	3	101.39	5	5	0	0.0945000000000014	3.11396	3.33	3.484	66.2725	129.9866	3.2921	399.25714147038
Cond-003454	NPD3533	NPD3533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.638046974	CCCOc1c(OC)cc(cc1)C1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H31N3O5/c1-4-13-38-24-12-11-19(15-25(24)36-3)22-17-33-26(34)18-32(16-20-8-7-14-37-20)29(35)30(33,2)28-27(22)21-9-5-6-10-23(21)31-28/h5-12,14-15,22,31H,4,13,16-18H2,1-3H3/t22?,30-/m0/s1	C30H31N3O5	513.584	8	1	88.01	6	7	0	-2.3334	4.28539000000001	3.88	3.916	67.8543	147.062	3.8039	457.637613690508
Cond-003455	NPD3534	NPD3534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.4593255197	CCCCC(NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-5-6-7-17(21(25)26)23-20(24)9-16-12(3)15-8-14-11(2)13(4)28-18(14)10-19(15)29-22(16)27/h8,10,17H,5-7,9H2,1-4H3,(H,23,24)(H,25,26)	C22H25NO6	399.437	7	2	105.84	3	8	0	-0.2547	3.86381	3.11	3.381	69.6922	112.1025	2.9906	372.845195172602
Cond-003456	NPD3535	NPD3535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8990324981	COc1ccc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CCC(=O)N)C(=O)O)c3)C2=O)c1	InChI=1S/C24H24N2O9/c1-32-14-4-7-18(33-2)13(9-14)10-20-23(29)16-5-3-15(11-19(16)35-20)34-12-22(28)26-17(24(30)31)6-8-21(25)27/h3-5,7,9-11,17H,6,8,12H2,1-2H3,(H2,25,27)(H,26,28)(H,30,31)/b20-10-/t17-/m0/s1	C24H24N2O9	484.455	11	4	163.48	3	12	1	-2.7761	2.58646	2.89	1.284	70.31	128.7164	3.4193	436.895228631785
Cond-003457	NPD3536	NPD3536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.945326966	CC(C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(Br)cc3)cc2oc1=O)C(=O)O	InChI=1S/C25H22BrNO6/c1-12(2)23(24(29)30)27-22(28)9-17-13(3)16-8-18-19(14-4-6-15(26)7-5-14)11-32-20(18)10-21(16)33-25(17)31/h4-8,10-12,23H,9H2,1-3H3,(H,27,28)(H,29,30)/t23-/m0/s1	C25H22BrNO6	512.349	7	2	105.84	4	7	0	0.9382	5.77067000000001	3.33	4.329	66.691	131.7265	3.3507	412.850933224569
Cond-003458	NPD3537	NPD3537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2998175452	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)c(C)ccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OCCC)ccc1	InChI=1S/C33H33N3O4/c1-4-17-40-22-10-7-9-21(18-22)29(37)27-26-13-8-16-36(26)33(24-15-14-19(2)20(3)28(24)35-31(33)39)32(27)23-11-5-6-12-25(23)34-30(32)38/h5-7,9-12,14-15,18,26-27H,4,8,13,16-17H2,1-3H3,(H,34,38)(H,35,39)/t26-,27-,32+,33+/m0/s1	C33H33N3O4	535.633	7	2	87.74	7	5	0	-2.0296	5.69372000000001	4.32	4.94	71.7512	153.7729	4.0163	496.642423465948
Cond-003459	NPD3539	NPD3539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.9935887952	CCN1CC[NH+](Cc2c3oc(=O)cc(c4cc5c(oc4=O)ccc(Br)c5)c3ccc2[O-])CC1	InChI=1S/C25H23BrN2O5/c1-2-27-7-9-28(10-8-27)14-20-21(29)5-4-17-18(13-23(30)33-24(17)20)19-12-15-11-16(26)3-6-22(15)32-25(19)31/h3-6,11-13,29H,2,7-10,14H2,1H3	C25H23BrN2O5	511.365	7	1	83.34	5	4	0	-0.669800000000001	2.90286	3.33	3.371	75.7539	129.7017	3.3262	416.237466732174
Cond-003460	NPD354	NPD354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.323757231	COc1ccc(/C=C\2/SC(=S)N(CCC(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1OC	InChI=1S/C26H27N3O5S2/c1-33-20-7-6-16(11-21(20)34-2)12-22-25(32)28(26(35)36-22)9-8-23(30)27-13-17-10-18(15-27)19-4-3-5-24(31)29(19)14-17/h3-7,11-12,17-18H,8-10,13-15H2,1-2H3/b22-12+/t17-,18-/m0/s1	C26H27N3O5S2	525.64	8	0	136.78	5	7	0	-0.188899999999997	2.95926	3.22	1.102	121.0882	142.796	3.7189	473.164640703841
Cond-003461	NPD3540	NPD3540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.129396924	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC1=CCCCC1)c1cc(OC)ccc1	InChI=1S/C35H34N4O4/c1-43-24-13-9-12-23(20-24)32-31-27(25-14-5-7-16-28(25)37-31)21-30-34(41)39(35(42)38(30)32)29-17-8-6-15-26(29)33(40)36-19-18-22-10-3-2-4-11-22/h5-10,12-17,20,30,32,37H,2-4,11,18-19,21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H34N4O4	574.669	8	2	94.74	7	8	1	-1.7219	5.73977000000001	4.43	6.816	77.9304	167.8117	4.3119	526.058235524247
Cond-003462	NPD3541	NPD3541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	86.4700695601	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(C2)c1ccccc1F	InChI=1S/C22H16FNO3/c1-13-20-14(11-24(12-26-20)19-9-5-4-8-18(19)23)10-17-15-6-2-3-7-16(15)22(25)27-21(13)17/h2-10H,11-12H2,1H3	C22H16FNO3	361.366	4	0	38.77	5	1	1	0.9068	5.67049	3.33	5.915	26.1295	106.516	2.529	311.656239118025
Cond-003463	NPD3542	NPD3542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.5852907583	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O	InChI=1S/C20H24N2O7/c1-9(2)18(19(26)27)22-16(25)8-21-15(24)7-12-11(4)17-13(23)5-10(3)6-14(17)29-20(12)28/h5-6,9,18,23H,7-8H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t18-/m0/s1	C20H24N2O7	404.414	9	4	142.03	2	9	0	-0.451400000000002	1.39639	2.67	0.824	76.543	106.249	2.9759	381.296671530396
Cond-003464	NPD3543	NPD3543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.286504643	CCC(C)[C@H](NC(=O)[C@@H](NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(C)C)C(=O)O	InChI=1S/C25H28N2O5/c1-5-14(4)21(25(31)32)27-24(30)20(13(2)3)26-23(29)18-12-8-11-17-19(18)15-9-6-7-10-16(15)22(17)28/h6-14,20-21H,5H2,1-4H3,(H,26,29)(H,27,30)(H,31,32)/t14?,20-,21-/m0/s1	C25H28N2O5	436.5	7	3	112.57	3	10	0	-1.6178	3.55019	3.44	4.935	65.7073	124.5512	3.3684	421.666765156208
Cond-003465	NPD3544	NPD3544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.087071306	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NC1CCCC1)c1cc(OC)ccc1	InChI=1S/C32H30N4O4/c1-40-23-10-6-7-20(17-23)29-28-25(24-11-4-5-12-26(24)34-28)18-27-31(38)35(32(39)36(27)29)22-15-13-19(14-16-22)30(37)33-21-8-2-3-9-21/h4-7,10-17,21,27,29,34H,2-3,8-9,18H2,1H3,(H,33,37)/t27-,29?/m0/s1	C32H30N4O4	534.605	8	2	94.74	7	6	1	-3.2057	4.86568000000001	4.1	5.706	59.5718	154.3027	3.9322	476.806740347447
Cond-003466	NPD3545	NPD3545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.595167629	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC	InChI=1S/C34H36N4O3/c1-2-3-4-12-19-35-32(39)28(20-22-13-6-5-7-14-22)37-33(40)29-21-26-23-15-10-11-18-27(23)36-30(26)31-24-16-8-9-17-25(24)34(41)38(29)31/h5-11,13-18,28-29,31,36H,2-4,12,19-21H2,1H3,(H,35,39)(H,37,40)/t28-,29-,31?/m0/s1	C34H36N4O3	548.675	7	3	94.3	6	12	2	-3.6537	4.65039000000001	4.43	8.78	67.6561	162.5294	4.2639	514.964941599419
Cond-003467	NPD3546	NPD3546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.942152795	Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2c1cc1c(occ1c1ccc(Br)cc1)c2	InChI=1S/C25H20BrNO6/c1-13-16-9-18-19(14-4-6-15(26)7-5-14)12-32-21(18)11-22(16)33-25(31)17(13)10-23(28)27-8-2-3-20(27)24(29)30/h4-7,9,11-12,20H,2-3,8,10H2,1H3,(H,29,30)/t20-/m0/s1	C25H20BrNO6	510.333	7	1	97.05	5	5	0	-0.1991	5.62087000000001	3.33	3.899	62.9586	129.6928	3.2421	400.494474523769
Cond-003468	NPD3547	NPD3547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.7059863478	Cc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C25H21NO3/c1-16-8-10-20(11-9-16)26-14-19-12-22-21(18-6-4-3-5-7-18)13-23(27)29-25(22)17(2)24(19)28-15-26/h3-13H,14-15H2,1-2H3	C25H21NO3	383.439	4	0	38.77	5	2	1	1.2346	5.7449	3.77	7.728	39.7825	117.235	2.891	354.840175444519
Cond-003469	NPD3548	NPD3548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3676031082	COc1c(OC)c2c(cc1)C(OC2=O)N1[C@@H](CCC1=O)C(=O)NC1CCS(=O)(=O)C1	InChI=1S/C19H22N2O8S/c1-27-13-5-3-11-15(16(13)28-2)19(24)29-18(11)21-12(4-6-14(21)22)17(23)20-10-7-8-30(25,26)9-10/h3,5,10,12,18H,4,6-9H2,1-2H3,(H,20,23)/t10?,12-,18?/m0/s1	C19H22N2O8S	438.452	10	1	136.69	4	6	0	-2.4828	0.9299	2.34	0.503	74.1429	105.3257	2.926	371.859937662691
Cond-003470	NPD3549	NPD3549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	107.966399881	Cc1c2oc(=O)c(CCC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C29H28ClNO6/c1-15-19(11-12-25(32)31-23(28(33)34)13-17-7-9-18(30)10-8-17)29(35)37-26-16(2)27-22(14-21(15)26)20-5-3-4-6-24(20)36-27/h7-10,14,23H,3-6,11-13H2,1-2H3,(H,31,32)(H,33,34)	C29H28ClNO6	521.989	7	2	105.84	5	8	1	0.729600000000002	5.75588000000001	3.77	5.059	79.813	145.0865	3.7531	465.605861820102
Cond-003471	NPD355	NPD355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1291585127	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(C)Cl	InChI=1S/C31H51ClO2/c1-5-6-7-8-9-10-11-23-13-15-27-26-14-12-24-21-25(34-29(33)20-22(2)32)16-18-31(24,4)28(26)17-19-30(23,27)3/h12,22-23,25-28H,5-11,13-21H2,1-4H3/t22?,23?,25-,26?,27?,28?,30+,31-/m0/s1	C31H51ClO2	491.188	2	0	26.3	4	11	2	0.0815999999999998	9.40528	4.54	12.272	130.7948	145.971	4.1959	522.824751069425
Cond-003472	NPD3550	NPD3550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5692181428	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C26H30N4O6/c1-15(2)13-20(25(34)35)28-22(31)16(3)27-23(32)21(14-17-9-5-4-6-10-17)30-24(33)18-11-7-8-12-19(18)29-26(30)36/h4-12,15-16,20-21H,13-14H2,1-3H3,(H,27,32)(H,28,31)(H,29,36)(H,34,35)/t16-,20-,21-/m0/s1	C26H30N4O6	494.54	10	4	148.4	3	12	2	-1.2365	2.55098	3.22	5.813	77.4734	136.9535	3.72460000000001	467.110038198169
Cond-003473	NPD3551	NPD3551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6672448398	Cc1c2oc(=O)c(CC(=O)NC(C(=O)O)c3ccccc3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C27H25NO6/c1-14-18-12-20-17-10-6-7-11-21(17)33-25(20)15(2)24(18)34-27(32)19(14)13-22(29)28-23(26(30)31)16-8-4-3-5-9-16/h3-5,8-9,12,23H,6-7,10-11,13H2,1-2H3,(H,28,29)(H,30,31)	C27H25NO6	459.49	7	2	105.84	5	6	1	-0.139500000000001	4.50128000000001	3.66	5.069	64.4666	129.9305	3.3489	415.802824797936
Cond-003474	NPD3553	NPD3553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.647566448	Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C24H19ClN2O7/c1-12-15-6-17-18(13-2-4-14(25)5-3-13)11-33-19(17)8-20(15)34-24(32)16(12)7-21(28)26-9-22(29)27-10-23(30)31/h2-6,8,11H,7,9-10H2,1H3,(H,26,28)(H,27,29)(H,30,31)	C24H19ClN2O7	482.87	9	3	134.94	4	9	0	-0.6605	3.93588	3	1.982	62.6824	129.3492	3.2727	408.632925599496
Cond-003475	NPD3554	NPD3554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.0554636567	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(CCOC)C2=O	InChI=1S/C25H23ClN4O4/c1-34-9-8-30-22(31)20-19(10-13-12-27-17-5-3-2-4-15(13)17)29-25(21(20)23(30)32)16-11-14(26)6-7-18(16)28-24(25)33/h2-7,11-12,19-21,27,29H,8-10H2,1H3,(H,28,33)/t19?,20-,21+,25?/m1/s1	C25H23ClN4O4	478.928	8	3	103.53	6	5	0	-2.0805	2.90168	3.22	1.748	66.5898	130.7094	3.30590000000001	402.111750540013
Cond-003476	NPD3555	NPD3555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3852970945	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NC3CC3)c2C)c1)c1ccccc1	InChI=1S/C24H21NO4/c1-13-10-19-22(23-21(13)18(12-28-23)15-6-4-3-5-7-15)14(2)17(24(27)29-19)11-20(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)	C24H21NO4	387.428	5	1	68.54	5	5	1	-0.111	5.08939000000001	3.55	5.253	48.0052	114.4267	2.8518	348.970876220013
Cond-003477	NPD3556	NPD3556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6061460178	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3cc(Cl)c(F)cc3)c1C)c2	InChI=1S/C22H17ClFNO4/c1-11-10-28-19-9-20-16(8-15(11)19)12(2)14(22(27)29-20)4-6-21(26)25-13-3-5-18(24)17(23)7-13/h3,5,7-10H,4,6H2,1-2H3,(H,25,26)	C22H17ClFNO4	413.826	5	1	68.54	4	5	0	1.8018	6.51678	3.11	4.036	50.1376	111.8417	2.8187	348.013992289819
Cond-003478	NPD3557	NPD3557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2553632194	COC(=O)Cc1c(C)c2ccc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)c(C)c2oc1=O	InChI=1S/C30H33NO8/c1-18-23-13-14-25(19(2)27(23)39-29(34)24(18)15-26(32)36-3)38-28(33)22-11-9-20(10-12-22)16-31-30(35)37-17-21-7-5-4-6-8-21/h4-8,13-14,20,22H,9-12,15-17H2,1-3H3,(H,31,35)	C30H33NO8	535.585	9	1	117.23	4	12	2	1.7352	4.42241000000001	3.77	5.882	90.4524	145.0817	3.9976	508.527690777458
Cond-003479	NPD3558	NPD3558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.1274103002	Cc1cc(=O)oc2cc(OCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(Cl)cc12	InChI=1S/C23H19ClN2O7/c1-11-4-22(29)33-19-8-20(16(24)7-14(11)19)32-10-21(28)26-18(23(30)31)5-12-9-25-17-3-2-13(27)6-15(12)17/h2-4,6-9,18,25,27H,5,10H2,1H3,(H,26,28)(H,30,31)	C23H19ClN2O7	470.859	9	4	137.95	4	8	0	-0.745200000000001	3.51536	2.89	1.979	61.3275	125.1823	3.1748	393.97339967443
Cond-003480	NPD3559	NPD3559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4986355743	COc1c(OC)c2c(cc1)C1SC(C)(C)C(N1C2=O)C(=O)NC(C)CCc1ccccc1	InChI=1S/C25H30N2O4S/c1-15(11-12-16-9-7-6-8-10-16)26-22(28)21-25(2,3)32-24-17-13-14-18(30-4)20(31-5)19(17)23(29)27(21)24/h6-10,13-15,21,24H,11-12H2,1-5H3,(H,26,28)	C25H30N2O4S	454.582	6	1	93.17	4	8	1	-0.438100000000002	3.8717	3.44	5.68	74.65	128.7917	3.4506	424.302021214047
Cond-003481	NPD3560	NPD3560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6355742992	Fc1c(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)ccc(Br)c1	InChI=1S/C19H14BrFN2O4/c20-10-5-6-14(13(21)9-10)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18?/m0/s1	C19H14BrFN2O4	433.228	6	1	75.71	4	4	0	-0.270300000000001	3.66899	2.67	4.049	44.6074	99.9487	2.5914	324.731808528319
Cond-003482	NPD3561	NPD3561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8782464766	CCCCc1cc(=O)oc2cc(C)cc(OC(=O)C(CCC)NC(=O)OCc3ccccc3)c12	InChI=1S/C27H31NO6/c1-4-6-13-20-16-24(29)33-22-14-18(3)15-23(25(20)22)34-26(30)21(10-5-2)28-27(31)32-17-19-11-8-7-9-12-19/h7-9,11-12,14-16,21H,4-6,10,13,17H2,1-3H3,(H,28,31)	C27H31NO6	465.538	7	1	90.93	3	13	2	-0.591200000000002	5.42019000000001	3.66	7.963	72.2459	130.7987	3.6091	454.052200900336
Cond-003483	NPD3562	NPD3562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.1104352234	C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C29H28N4O6/c1-18(25(34)31-23(28(37)38)16-19-10-4-2-5-11-19)30-26(35)24(17-20-12-6-3-7-13-20)33-27(36)21-14-8-9-15-22(21)32-29(33)39/h2-15,18,23-24H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,39)(H,37,38)/t18-,23-,24-/m0/s1	C29H28N4O6	528.556	10	4	148.4	4	12	2	-2.0026	2.74758	3.55	7.643	63.6192	147.6445	3.90970000000001	487.832157272569
Cond-003484	NPD3564	NPD3564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2868447082	COC(=O)C(C)Oc1ccc2cc(c(=O)oc2c1)c1c(OC)cc(OC)cc1	InChI=1S/C21H20O7/c1-12(20(22)26-4)27-15-6-5-13-9-17(21(23)28-18(13)11-15)16-8-7-14(24-2)10-19(16)25-3/h5-12H,1-4H3	C21H20O7	384.379	7	0	80.29	3	7	0	-0.1712	3.54677	3	3.686	52.8508	105.05	2.7656	350.70621833833
Cond-003485	NPD3565	NPD3565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1029730605	[O-]c1ccc2c(cc(=O)oc2c1C[NH+]1CCOCC1)c1cc2c(oc1=O)ccc(Cl)c2	InChI=1S/C23H18ClNO6/c24-14-1-4-20-13(9-14)10-17(23(28)30-20)16-11-21(27)31-22-15(16)2-3-19(26)18(22)12-25-5-7-29-8-6-25/h1-4,9-11,26H,5-8,12H2	C23H18ClNO6	439.845	7	1	89.33	5	3	0	-1.3343	2.48846	3.11	2.567	61.501	115.7167	2.9507	375.366412765702
Cond-003486	NPD3566	NPD3566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8101999063	COc1c(OC)cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CC(=O)N)C(=O)O)c3)C2=O)cc1	InChI=1S/C23H22N2O9/c1-31-16-6-3-12(7-18(16)32-2)8-19-22(28)14-5-4-13(9-17(14)34-19)33-11-21(27)25-15(23(29)30)10-20(24)26/h3-9,15H,10-11H2,1-2H3,(H2,24,26)(H,25,27)(H,29,30)/b19-8-/t15-/m0/s1	C23H22N2O9	470.429	11	4	163.48	3	11	1	-2.4881	2.19636	2.78	0.926	67.3984	124.0994	3.2784	419.599244005919
Cond-003487	NPD3567	NPD3567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.242128387	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCC(=O)O)ccc12	InChI=1S/C20H17NO7/c1-26-13-4-2-12(3-5-13)16-9-20(25)28-17-8-14(6-7-15(16)17)27-11-18(22)21-10-19(23)24/h2-9H,10-11H2,1H3,(H,21,22)(H,23,24)	C20H17NO7	383.351	8	2	111.16	3	8	0	-1.4097	2.17747	2.78	2.336	48.0348	102.5325	2.6815	341.770535219829
Cond-003488	NPD3568	NPD3568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.679200427	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NC(C)CC)c1ccc(OC)cc1	InChI=1S/C31H30N4O4/c1-4-18(2)32-29(36)22-10-6-8-12-25(22)35-30(37)26-17-23-21-9-5-7-11-24(21)33-27(23)28(34(26)31(35)38)19-13-15-20(39-3)16-14-19/h5-16,18,26,28,33H,4,17H2,1-3H3,(H,32,36)/t18?,26-,28?/m0/s1	C31H30N4O4	522.594	8	2	94.74	6	7	1	-2.2391	4.72158000000001	3.99	5.899	62.6344	151.7997	3.89990000000001	471.867214422381
Cond-003489	NPD3569	NPD3569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7913107152	OC(=O)[C@H](NC(=O)C1CN(C(=O)C1)c1cc2c(OCO2)cc1)c1ccccc1	InChI=1S/C20H18N2O6/c23-17-8-13(10-22(17)14-6-7-15-16(9-14)28-11-27-15)19(24)21-18(20(25)26)12-4-2-1-3-5-12/h1-7,9,13,18H,8,10-11H2,(H,21,24)(H,25,26)/t13?,18-/m1/s1	C20H18N2O6	382.367	8	2	105.17	4	6	0	-2.0675	2.63097	2.78	2.436	45.7802	102.9365	2.657	334.257068727435
Cond-003490	NPD357	NPD357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.366336634	CCCc1cc(c2nn(C)cc2c2cc3c(OCCCO3)cc2)c(O)cc1OC	InChI=1S/C23H26N2O4/c1-4-6-16-11-17(19(26)13-21(16)27-3)23-18(14-25(2)24-23)15-7-8-20-22(12-15)29-10-5-9-28-20/h7-8,11-14,26H,4-6,9-10H2,1-3H3	C23H26N2O4	394.464	6	1	65.74	4	5	0	-1.1439	6.45626000000001	3.33	3.613	47.725	121.249	3.0053	360.301027904713
Cond-003491	NPD3570	NPD3570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.720756937	O=C(CCN1C(=S)S/C(=C\c2ccccc2)/C1=O)N1CCCCC1c1cccnc1	InChI=1S/C23H23N3O2S2/c27-21(25-13-5-4-10-19(25)18-9-6-12-24-16-18)11-14-26-22(28)20(30-23(26)29)15-17-7-2-1-3-8-17/h1-3,6-9,12,15-16,19H,4-5,10-11,13-14H2/b20-15-	C23H23N3O2S2	437.578	5	0	110.9	4	6	0	-0.2204	4.13678	3.22	4.9	71.3626	124.883	3.2287	396.362465425358
Cond-003492	NPD3571	NPD3571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.188252299	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C1CCCCCC1)C2=O	InChI=1S/C27H29N3O5/c31-20-12-11-15(14-21(20)32)13-19-22-23(25(34)30(24(22)33)16-7-3-1-2-4-8-16)27(29-19)17-9-5-6-10-18(17)28-26(27)35/h5-6,9-12,14,16,19,22-23,29,31-32H,1-4,7-8,13H2,(H,28,35)/t19?,22-,23+,27?/m1/s1	C27H29N3O5	475.536	8	4	118.97	6	3	0	-5.0748	3.33129000000001	3.55	3.299	66.9307	130.446	3.4672	432.822577214508
Cond-003493	NPD3572	NPD3572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1336664888	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC(C)C)c1ccc(cc1)C(C)C	InChI=1S/C34H36N4O3/c1-20(2)17-18-35-32(39)25-10-6-8-12-28(25)38-33(40)29-19-26-24-9-5-7-11-27(24)36-30(26)31(37(29)34(38)41)23-15-13-22(14-16-23)21(3)4/h5-16,20-21,29,31,36H,17-19H2,1-4H3,(H,35,39)/t29-,31?/m0/s1	C34H36N4O3	548.675	7	2	85.51	6	8	1	-1.0821	6.08398000000001	4.43	8.993	73.3711	163.9057	4.26390000000001	514.964941599419
Cond-003494	NPD3573	NPD3573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1041080192	COC(=O)c1ccc(/C=C/2\Oc3cc(OCc4cc(OC)ccc4)ccc3C2=O)cc1	InChI=1S/C25H20O6/c1-28-19-5-3-4-17(12-19)15-30-20-10-11-21-22(14-20)31-23(24(21)26)13-16-6-8-18(9-7-16)25(27)29-2/h3-14H,15H2,1-2H3/b23-13-	C25H20O6	416.423	6	0	71.06	4	7	1	-0.580000000000001	4.62397	3.55	6.156	42.2469	117.7495	3.0329	379.934095338035
Cond-003495	NPD3574	NPD3574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1521428219	COCC[NH+](CCOC)Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1[O-]	InChI=1S/C25H25NO7/c1-30-11-9-26(10-12-31-2)15-20-21(27)8-7-17-18(14-23(28)33-24(17)20)19-13-16-5-3-4-6-22(16)32-25(19)29/h3-8,13-14,27H,9-12,15H2,1-2H3	C25H25NO7	451.468	8	1	98.56	4	9	0	-2.0281	2.09766	3.33	2.702	68.8979	123.6397	3.2774	415.893999648363
Cond-003496	NPD3575	NPD3575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7406239387	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOC(C)C)c1ccc(C)cc1	InChI=1S/C33H34N4O4/c1-20(2)41-18-8-17-34-31(38)24-10-5-7-12-27(24)37-32(39)28-19-25-23-9-4-6-11-26(23)35-29(25)30(36(28)33(37)40)22-15-13-21(3)14-16-22/h4-7,9-16,20,28,30,35H,8,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1	C33H34N4O4	550.647	8	2	94.74	6	9	1	-1.6762	4.75760000000001	4.21	7.109	71.8642	159.7067	4.18170000000001	506.459183674114
Cond-003497	NPD3576	NPD3576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.7609224482	CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC(=C)C)ccc3c2=O)cc1	InChI=1S/C23H22O6/c1-5-26-23(25)16-6-8-17(9-7-16)29-22-15(4)28-20-12-18(27-13-14(2)3)10-11-19(20)21(22)24/h6-12H,2,5,13H2,1,3-4H3	C23H22O6	394.417	6	0	71.06	3	8	0	0.714699999999999	4.52457	3.33	4.918	60.3334	109.9175	2.9457	373.871502188702
Cond-003498	NPD3577	NPD3577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.1271255662	COc1cc2c(cc1OC)C(=NCC2)c1ccc(o1)c1cc(Cl)c(Cl)cc1	InChI=1S/C21H17Cl2NO3/c1-25-19-10-12-7-8-24-21(14(12)11-20(19)26-2)18-6-5-17(27-18)13-3-4-15(22)16(23)9-13/h3-6,9-11H,7-8H2,1-2H3	C21H17Cl2NO3	402.271	4	0	43.96	4	4	0	1.1683	5.53628	3.11	4.719	43.0622	111.782	2.7668	333.707748584318
Cond-003499	NPD3578	NPD3578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	72.5017552071	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C32H32FN3O4/c1-19(2)40-26-14-11-21(15-27(26)39-4)24-17-36-28(37)18-35(16-20-9-12-22(33)13-10-20)31(38)32(36,3)30-29(24)23-7-5-6-8-25(23)34-30/h5-15,19,24,34H,16-18H2,1-4H3/t24?,32-/m0/s1	C32H32FN3O4	541.613	7	1	74.87	6	6	1	-1.4223	4.84909000000001	4.1	5.37	68.7805	152.303	4.0017	486.870456391187
Cond-003500	NPD3580	NPD3580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.965081816	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCC(C)C)c1ccc(C)cc1	InChI=1S/C31H30N4O3/c1-18(2)17-32-29(36)21-12-14-22(15-13-21)34-30(37)26-16-24-23-6-4-5-7-25(23)33-27(24)28(35(26)31(34)38)20-10-8-19(3)9-11-20/h4-15,18,26,28,33H,16-17H2,1-3H3,(H,32,36)/t26-,28?/m0/s1	C31H30N4O3	506.595	7	2	85.51	6	6	1	-0.724999999999999	4.59850000000001	4.1	6.925	61.6938	148.8397	3.84120000000001	463.07698772182
Cond-003501	NPD3581	NPD3581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.069015514	CSCC[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1)c1ccccc1)C(=O)O	InChI=1S/C21H29N3O4S2/c1-29-12-7-16(19(26)27)23-20(28)21(15-5-3-2-4-6-15)8-10-24(11-9-21)18(25)17-13-30-14-22-17/h2-6,16-17,22H,7-14H2,1H3,(H,23,28)(H,26,27)/t16-,17-/m1/s1	C21H29N3O4S2	451.603	7	3	149.34	3	10	0	-1.0552	1.76569	2.78	3.337	90.85	123.9912	3.3449	413.153243078747
Cond-003502	NPD3582	NPD3582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.8129439031	COC(=O)c1c(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)sc2c1CCCC2	InChI=1S/C22H25N3O3S2/c1-28-21(27)19-15-5-2-3-7-17(15)30-20(19)23-22(29)24-10-13-9-14(12-24)16-6-4-8-18(26)25(16)11-13/h4,6,8,13-14H,2-3,5,7,9-12H2,1H3,(H,23,29)/t13-,14-/m0/s1	C22H25N3O3S2	443.582	6	1	122.21	5	5	0	-0.1525	2.62266	3	3.186	104.7947	119.6607	3.1669	394.309624901652
Cond-003503	NPD3583	NPD3583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.518357187	COc1c(OC)cc(CCN2COc3ccc4c(oc(=O)c5c4cccc5)c3C2)cc1	InChI=1S/C25H23NO5/c1-28-22-9-7-16(13-23(22)29-2)11-12-26-14-20-21(30-15-26)10-8-18-17-5-3-4-6-19(17)25(27)31-24(18)20/h3-10,13H,11-12,14-15H2,1-2H3	C25H23NO5	417.454	6	0	57.23	5	5	1	-0.0512999999999992	5.03158	3.55	5.257	43.5505	123.529	3.0514	375.057087546441
Cond-003504	NPD3584	NPD3584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5459940653	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCc3ccncc3)c12	InChI=1S/C23H24N2O5/c1-14-10-20(27)29-22-16-4-7-23(2,3)30-17(16)11-18(21(14)22)28-13-19(26)25-12-15-5-8-24-9-6-15/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,25,26)	C23H24N2O5	408.447	7	1	86.75	4	6	0	0.495299999999999	3.91596	3.22	2.792	63.8563	115.8817	3.021	377.354795904474
Cond-003505	NPD3586	NPD3586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2889591791	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCC)c1ccc(C)cc1	InChI=1S/C30H28N4O3/c1-3-16-31-28(35)20-12-14-21(15-13-20)33-29(36)25-17-23-22-6-4-5-7-24(22)32-26(23)27(34(25)30(33)37)19-10-8-18(2)9-11-19/h4-15,25,27,32H,3,16-17H2,1-2H3,(H,31,35)/t25-,27?/m0/s1	C30H28N4O3	492.568	7	2	85.51	6	6	1	-1.5346	4.35250000000001	3.99	6.628	56.2363	144.2927	3.7003	445.781003095953
Cond-003506	NPD3587	NPD3587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2138581669	COc1c(OC)cc(CN2COc3c(C2)cc2c4c(CCC4)c(=O)oc2c3C)cc1	InChI=1S/C24H25NO5/c1-14-22-16(10-19-17-5-4-6-18(17)24(26)30-23(14)19)12-25(13-29-22)11-15-7-8-20(27-2)21(9-15)28-3/h7-10H,4-6,11-13H2,1-3H3	C24H25NO5	407.459	6	0	57.23	5	4	0	0.2485	4.36889000000001	3.44	3.281	65.1216	115.833	2.9965	373.934020322174
Cond-003507	NPD3588	NPD3588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3562462642	CCCCc1cc(=O)oc2cc(OC(C)C(=O)NC(CC(C)C)C(=O)O)ccc12	InChI=1S/C22H29NO6/c1-5-6-7-15-11-20(24)29-19-12-16(8-9-17(15)19)28-14(4)21(25)23-18(22(26)27)10-13(2)3/h8-9,11-14,18H,5-7,10H2,1-4H3,(H,23,25)(H,26,27)	C22H29NO6	403.469	7	2	101.93	2	11	1	-0.851000000000003	4.11397000000001	3.11	4.756	79.4462	112.9325	3.1422	398.738112574202
Cond-003508	NPD3589	NPD3589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9747590525	CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(C)C)C(=O)O)c12	InChI=1S/C23H30N2O7/c1-5-6-7-15-10-20(28)32-17-9-14(4)8-16(21(15)17)31-12-19(27)24-11-18(26)25-22(13(2)3)23(29)30/h8-10,13,22H,5-7,11-12H2,1-4H3,(H,24,27)(H,25,26)(H,29,30)/t22-/m1/s1	C23H30N2O7	446.493	9	3	131.03	2	13	1	-1.3972	2.47959	3	2.945	87.8405	120.3702	3.3986	433.184625407997
Cond-003509	NPD359	NPD359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8322706753	CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C)OC(=O)C	InChI=1S/C29H38O8/c1-6-7-25-36-24-13-21-20-9-8-18-12-19(32)10-11-27(18,4)26(20)22(35-17(3)31)14-28(21,5)29(24,37-25)23(33)15-34-16(2)30/h10-12,20-22,24-26H,6-9,13-15H2,1-5H3/t20?,21?,22?,24-,25?,26?,27+,28+,29-/m1/s1	C29H38O8	514.607	8	0	105.2	5	8	0	-0.645900000000002	3.94467000000001	3.77	3.394	130.0177	134.664	3.8633	502.860780746625
Cond-003510	NPD3590	NPD3590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.1421562554	COc1c(CNC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cccc1	InChI=1S/C23H29N3O3S/c1-29-21-10-6-5-9-18(21)15-25-22(27)19(11-12-30-2)26-23(28)20-13-16-7-3-4-8-17(16)14-24-20/h3-10,19-20,24H,11-15H2,1-2H3,(H,25,27)(H,26,28)/t19-,20-/m0/s1	C23H29N3O3S	427.56	6	3	104.76	3	11	1	-1.5539	2.37419	3.22	4.555	67.5482	124.6021	3.3185	404.273044170719
Cond-003511	NPD3591	NPD3591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9452084804	COc1ccc(cc1)c1cc(=O)oc2cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C29H29NO7S/c1-20-7-14-24(15-8-20)38(33,34)30-17-5-3-4-6-28(31)36-23-13-16-25-26(19-29(32)37-27(25)18-23)21-9-11-22(35-2)12-10-21/h7-16,18-19,30H,3-6,17H2,1-2H3	C29H29NO7S	535.608	8	1	116.38	4	12	2	-1.1806	5.58408	3.66	6.501	63.5625	141.4617	3.9185	487.41404480783
Cond-003512	NPD3593	NPD3593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1089333202	COc1ccc(OC)c(c1)n1c(O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C23H22N4O5/c1-31-12-7-8-17(32-2)16(11-12)27-22(29)18(21(28)26-23(27)30)20-19-14(9-10-24-20)13-5-3-4-6-15(13)25-19/h3-8,11,20,24-25,28H,9-10H2,1-2H3,(H,26,30)	C23H22N4O5	434.445	9	4	119.41	5	4	0	-0.7604	3.26935	3	2.5	59.1296	124.4043	3.069	373.455398919208
Cond-003513	NPD3594	NPD3594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.72882597	Cc1ccc(cc1)c1coc2c1cc1c(oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c1C)c2	InChI=1S/C31H27NO6S/c1-18-8-10-21(11-9-18)25-15-37-27-14-28-22(12-24(25)27)19(2)23(31(36)38-28)13-29(33)32-26(30(34)35)17-39-16-20-6-4-3-5-7-20/h3-12,14-15,26H,13,16-17H2,1-2H3,(H,32,33)(H,34,35)/t26-/m0/s1	C31H27NO6S	541.614	7	2	131.14	5	10	1	0.7323	5.97409000000001	3.99	8.074	66.5441	154.6765	3.947	484.686411256603
Cond-003514	NPD3595	NPD3595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.1513244295	COc1ccc2c(CC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)cc(=O)oc2c1C	InChI=1S/C22H20ClNO6/c1-12-18(29-2)8-7-16-14(11-20(26)30-21(12)16)10-19(25)24-17(22(27)28)9-13-3-5-15(23)6-4-13/h3-8,11,17H,9-10H2,1-2H3,(H,24,25)(H,27,28)	C22H20ClNO6	429.85	7	2	101.93	3	8	0	0.474399999999999	3.98869	3	3.219	61.1468	116.1545	3.027	382.783345541435
Cond-003515	NPD3596	NPD3596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.6910469018	CC(C)C[C@H](n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C25H26N4O5/c1-14(2)11-21(29-23(31)17-8-4-6-10-19(17)28-25(29)34)22(30)27-20(24(32)33)12-15-13-26-18-9-5-3-7-16(15)18/h3-10,13-14,20-21,26H,11-12H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t20-,21+/m1/s1	C25H26N4O5	462.498	9	4	131.6	4	9	0	-1.4695	4.13967000000001	3.22	4.127	63.0755	131.4017	3.41640000000001	417.767368170941
Cond-003516	NPD3597	NPD3597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9798914136	COCCCNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O	InChI=1S/C20H23NO5/c1-11-8-15-18(19-17(11)12(2)10-25-19)13(3)14(20(23)26-15)9-16(22)21-6-5-7-24-4/h8,10H,5-7,9H2,1-4H3,(H,21,22)	C20H23NO5	357.4	6	1	77.77	3	7	0	0.840800000000001	3.27611	3	1.971	63.938	100.0847	2.6931	332.099457921107
Cond-003517	NPD3599	NPD3599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.710135571	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O	InChI=1S/C20H25NO6/c1-6-11(3)18(19(23)24)21-16(22)9-13-12(4)17-14(26-5)7-10(2)8-15(17)27-20(13)25/h7-8,11,18H,6,9H2,1-5H3,(H,21,22)(H,23,24)/t11-,18+/m1/s1	C20H25NO6	375.416	7	2	101.93	2	8	0	0.117499999999998	2.97329	2.89	2.74	72.3685	102.7435	2.8604	364.146143322469
Cond-003518	NPD36	NPD36	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0271919813	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2OC(=O)c1ccccc1	InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3/t19?,20?,21?,22?,23?,25-,26-/m0/s1	C26H34O3	394.546	3	1	46.53	5	3	1	-0.0254999999999997	5.43028000000001	3.99	7.128	85.1328	116.1068	3.1901	398.758152067019
Cond-003519	NPD360	NPD360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.38365387	CCCCCc1ccc(cc1)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C25H28O4/c1-5-6-7-8-19-9-11-20(12-10-19)22(26)15-28-23-14-13-21-16(2)17(3)25(27)29-24(21)18(23)4/h9-14H,5-8,15H2,1-4H3	C25H28O4	392.487	4	0	52.6	3	8	1	0.541499999999998	6.52889000000001	3.77	7.398	61.7024	120.0505	3.1531	393.519476740113
Cond-003520	NPD3600	NPD3600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	29.3762376238	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(C)ccc3)cc12	InChI=1S/C26H23NO4/c1-16-5-4-6-20(11-16)27-14-19-12-23-22(18-7-9-21(29-3)10-8-18)13-24(28)31-26(23)17(2)25(19)30-15-27/h4-13H,14-15H2,1-3H3	C26H23NO4	413.465	5	0	48	5	3	1	1.1828	5.75350000000001	3.77	6.229	47.0983	123.787	3.0906	380.926386770946
Cond-003521	NPD3602	NPD3602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.045571325	CCCOc1ccc2c(cc(=O)oc2c1C)c1cc2c(oc1=O)c(OC)ccc2	InChI=1S/C23H20O6/c1-4-10-27-18-9-8-15-16(12-20(24)28-21(15)13(18)2)17-11-14-6-5-7-19(26-3)22(14)29-23(17)25/h5-9,11-12H,4,10H2,1-3H3	C23H20O6	392.401	6	0	71.06	4	5	0	0.4665	4.74178	3.33	4.456	58.6648	111.593	2.8371	361.515043487902
Cond-003522	NPD3603	NPD3603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.053257064	COc1c(OC)c(OC)c(cc1)/C=C/1\Oc2c(C[NH+](C)C)c([O-])ccc2C1=O	InChI=1S/C21H23NO6/c1-22(2)11-14-15(23)8-7-13-18(24)17(28-20(13)14)10-12-6-9-16(25-3)21(27-5)19(12)26-4/h6-10,23H,11H2,1-5H3/b17-10-	C21H23NO6	385.41	7	1	81.49	3	6	0	-2.5741	1.04838	3	1.877	54.6644	104.9667	2.8497	355.549210546735
Cond-003523	NPD3604	NPD3604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4934168351	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C24H23ClN4O4/c1-12-9-14-20(15(25)10-12)27-23(33)24(14)19-18(16(28-24)11-17(26)30)21(31)29(22(19)32)8-7-13-5-3-2-4-6-13/h2-6,9-10,16,18-19,28H,7-8,11H2,1H3,(H2,26,30)(H,27,33)/t16?,18-,19+,24?/m1/s1	C24H23ClN4O4	466.917	8	4	121.6	5	5	0	-1.3847	1.75411	3.11	2.903	68.341	122.9548	3.2736	408.072224614947
Cond-003524	NPD3605	NPD3605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.892807332	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)NCc1ccccc1	InChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)16-28-19-11-12-20-21(18-9-5-2-6-10-18)14-24(27)29-22(20)13-19/h1-14H,15-16H2,(H,25,26)	C24H19NO4	385.412	5	1	64.63	4	7	1	-0.9047	3.94497	3.55	7.361	33.6499	112.8677	2.8744	356.054417519213
Cond-003525	NPD3606	NPD3606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.54353845	COc1cc2c(cc1)c(cc(=O)o2)c1cc2c(oc1=O)cc(OCc1c(Cl)cccc1F)cc2	InChI=1S/C26H16ClFO6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3	C26H16ClFO6	478.853	6	0	71.06	5	5	1	1.2852	5.40146	3.44	5.893	50.8405	124.826	3.1623	403.515789183041
Cond-003526	NPD3607	NPD3607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3097283607	Cc1c(CC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C21H17Cl2NO6/c1-10-13-7-15(23)17(25)9-18(13)30-21(29)14(10)8-19(26)24-16(20(27)28)6-11-2-4-12(22)5-3-11/h2-5,7,9,16,25H,6,8H2,1H3,(H,24,26)(H,27,28)	C21H17Cl2NO6	450.269	7	3	112.93	3	7	0	0.7213	4.14567	2.78	3.076	60.8662	114.9273	3.0085	380.698428686002
Cond-003527	NPD3608	NPD3608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2459081737	CCOC(=O)c1ccc(cc1)n1c(C)c2c(c1C)c(OC)cccc2=O	InChI=1S/C21H21NO4/c1-5-26-21(24)15-9-11-16(12-10-15)22-13(2)19-17(23)7-6-8-18(25-4)20(19)14(22)3/h6-12H,5H2,1-4H3	C21H21NO4	351.396	5	0	57.01	3	5	0	1.2203	3.70052	3.22	3.968	63.1968	101.1665	2.6893	335.332298444813
Cond-003528	NPD3609	NPD3609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.746785361	COc1c(OC)cc2c3cc(cn3CCc2c1)c1c(N)n(C)c(=O)n(C)c1=O	InChI=1S/C20H22N4O4/c1-22-18(21)17(19(25)23(2)20(22)26)12-7-14-13-9-16(28-4)15(27-3)8-11(13)5-6-24(14)10-12/h7-10H,5-6,21H2,1-4H3	C20H22N4O4	382.413	8	2	90.03	4	3	0	-0.838199999999998	1.97908	2.78	0.941	64.3325	106.7774	2.7822	341.306594443446
Cond-003529	NPD361	NPD361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.176487891	[C@@H](Cc1ccccc1)(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)O	InChI=1S/C23H29N5O5/c24-22(25)26-13-7-12-18(28-23(32)33-15-17-10-5-2-6-11-17)20(29)27-19(21(30)31)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,27,29)(H,28,32)(H,30,31)(H4,24,25,26)/t18-,19+/m1/s1	C23H29N5O5	455.507	10	7	166.63	2	16	2	-2.2327	0.615260000000001	2.89	3.394	61.4119	124.512	3.4946	432.421535229775
Cond-003530	NPD3610	NPD3610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1207994514	CCCCOc1ccc(cc1)N1COc2c(C1)cc1c(CCCC)cc(=O)oc1c2C	InChI=1S/C26H31NO4/c1-4-6-8-19-15-24(28)31-26-18(3)25-20(14-23(19)26)16-27(17-30-25)21-9-11-22(12-10-21)29-13-7-5-2/h9-12,14-15H,4-8,13,16-17H2,1-3H3	C26H31NO4	421.529	5	0	48	4	8	1	-0.5369	7.03768000000001	3.77	6.534	68.9209	127.979	3.3282	412.092221574147
Cond-003531	NPD3611	NPD3611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7478201234	Cc1c(C)c2cc3c(OCN(C3)c3cc(F)c(F)cc3)c(C)c2oc1=O	InChI=1S/C20H17F2NO3/c1-10-11(2)20(24)26-19-12(3)18-13(6-15(10)19)8-23(9-25-18)14-4-5-16(21)17(22)7-14/h4-7H,8-9H2,1-3H3	C20H17F2NO3	357.351	4	0	38.77	4	1	0	2.7471	5.35678	3	4.125	45.8846	98.258	2.4595	311.661204818998
Cond-003532	NPD3612	NPD3612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4233432245	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCc3c[nH]c4ccccc34)c12	InChI=1S/C27H28N2O5/c1-16-12-24(31)33-26-19-8-10-27(2,3)34-21(19)13-22(25(16)26)32-15-23(30)28-11-9-17-14-29-20-7-5-4-6-18(17)20/h4-7,12-14,29H,8-11,15H2,1-3H3,(H,28,30)	C27H28N2O5	460.522	7	2	89.65	5	7	0	0.3305	5.30755000000001	3.66	4.2	71.6081	137.0397	3.433	420.645817006341
Cond-003533	NPD3613	NPD3613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4832547755	Cc1c(CCC(=O)N[C@H](CCCNC(=O)N)C(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C27H32N4O8/c1-14-15(8-9-23(32)31-19(6-4-10-29-27(28)37)25(35)30-13-24(33)34)26(36)39-21-12-22-18(11-17(14)21)16-5-2-3-7-20(16)38-22/h11-12,19H,2-10,13H2,1H3,(H,30,35)(H,31,32)(H,33,34)(H3,28,29,37)/t19-/m1/s1	C27H32N4O8	540.565	12	6	190.06	4	14	1	-2.7478	2.57917	3.11	0.728	96.3114	147.1823	3.9173	492.266476225158
Cond-003534	NPD3614	NPD3614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.5272255618	Cc1cc(=O)oc2cc(OCC(=O)Nc3c(F)cc(Br)cc3)ccc12	InChI=1S/C18H13BrFNO4/c1-10-6-18(23)25-16-8-12(3-4-13(10)16)24-9-17(22)21-15-5-2-11(19)7-14(15)20/h2-8H,9H2,1H3,(H,21,22)	C18H13BrFNO4	406.203	5	1	64.63	3	5	0	1.0942	5.08006	2.67	4.01	43.9114	98.4377	2.4593	308.795522395085
Cond-003535	NPD3615	NPD3615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4476987448	[C@@H]12CC3=CCCC(C)[C@@]3(C)C(O)[C@@H]1C(CN1CCC(CC1)C(=O)c1ccccc1)C(=O)O2	InChI=1S/C27H35NO4/c1-17-7-6-10-20-15-22-23(25(30)27(17,20)2)21(26(31)32-22)16-28-13-11-19(12-14-28)24(29)18-8-4-3-5-9-18/h3-5,8-10,17,19,21-23,25,30H,6-7,11-16H2,1-2H3/t17?,21?,22-,23-,25?,27-/m1/s1	C27H35NO4	437.571	5	1	66.84	5	4	0	-0.788100000000002	4.02638000000001	3.88	4.213	93.4273	124.9813	3.4465	433.204664900814
Cond-003536	NPD3618	NPD3618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1902867401	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1c(Cl)cccc1)c1ccc(OC)cc1	InChI=1S/C34H27ClN4O4/c1-43-22-16-14-20(15-17-22)31-30-25(23-9-3-6-12-27(23)37-30)18-29-33(41)39(34(42)38(29)31)28-13-7-4-10-24(28)32(40)36-19-21-8-2-5-11-26(21)35/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.2474	5.43718000000001	4.21	7.24	54.8553	166.4467	4.20740000000001	507.800401267214
Cond-003537	NPD3619	NPD3619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	80.4356435644	CCC(C)[C@H](NC(=O)[C@H](CC(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C20H27N3O5/c1-5-12(4)16(19(26)27)22-17(24)15(10-11(2)3)23-18(25)13-8-6-7-9-14(13)21-20(23)28/h6-9,11-12,15-16H,5,10H2,1-4H3,(H,21,28)(H,22,24)(H,26,27)/t12?,15-,16-/m0/s1	C20H27N3O5	389.445	8	3	115.81	2	9	0	-1.2148	3.53848	2.78	3.487	72.2557	107.3807	3.0013	377.349437038241
Cond-003538	NPD362	NPD362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3020127826	COc1c(OC)c2c(cc1)C(CC(=O)c1ccc(Br)cc1)OC2=O	InChI=1S/C18H15BrO5/c1-22-14-8-7-12-15(24-18(21)16(12)17(14)23-2)9-13(20)10-3-5-11(19)6-4-10/h3-8,15H,9H2,1-2H3	C18H15BrO5	391.213	5	0	61.83	3	5	0	0.4147	3.6328	2.78	3.888	42.8155	93.3015	2.4435	303.157888737973
Cond-003539	NPD3620	NPD3620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.989638069	OC(=O)C1CCN(CC1)C(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C21H23NO6/c23-19(22-9-7-13(8-10-22)20(24)25)12-27-14-5-6-16-15-3-1-2-4-17(15)21(26)28-18(16)11-14/h5-6,11,13H,1-4,7-10,12H2,(H,24,25)	C21H23NO6	385.41	7	1	93.14	4	5	0	-2.3937	3.18717	3	2.112	69.4352	104.1418	2.7841	356.729210546735
Cond-003540	NPD3621	NPD3621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5686121031	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccco1	InChI=1S/C30H30N4O4/c1-3-17(2)25(29(36)31-16-18-9-8-14-38-18)33-28(35)24-15-22-19-10-6-7-13-23(19)32-26(22)27-20-11-4-5-12-21(20)30(37)34(24)27/h4-14,17,24-25,27,32H,3,15-16H2,1-2H3,(H,31,36)(H,33,35)/t17?,24-,25-,27?/m0/s1	C30H30N4O4	510.584	8	3	107.44	6	9	1	-2.8728	3.30799000000001	3.88	5.133	64.2103	146.9144	3.80200000000001	457.207688497314
Cond-003541	NPD3622	NPD3622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5318779459	CCCCc1cc(=O)oc2cc(OCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(Cl)cc12	InChI=1S/C26H25ClN2O7/c1-2-3-4-14-8-25(32)36-22-11-23(19(27)10-18(14)22)35-13-24(31)29-21(26(33)34)7-15-12-28-20-6-5-16(30)9-17(15)20/h5-6,8-12,21,28,30H,2-4,7,13H2,1H3,(H,29,31)(H,33,34)	C26H25ClN2O7	512.939	9	4	137.95	4	11	1	-1.8495	4.68566000000001	3.22	3.581	72.4127	139.0333	3.5975	445.86135355203
Cond-003542	NPD3623	NPD3623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0216353182	COc1cc2c(cc1)c1c(oc2=O)cc(OCC(=O)NC[C@H]2CCC(CC2)C(=O)O)cc1	InChI=1S/C24H25NO7/c1-30-16-6-8-18-19-9-7-17(11-21(19)32-24(29)20(18)10-16)31-13-22(26)25-12-14-2-4-15(5-3-14)23(27)28/h6-11,14-15H,2-5,12-13H2,1H3,(H,25,26)(H,27,28)/t14-,15?	C24H25NO7	439.458	8	2	111.16	4	8	0	-0.790199999999999	3.79838	3.22	3.002	63.3932	120.9435	3.1795	401.234473723297
Cond-003543	NPD3625	NPD3625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5394726996	COc1cc2c(cc1)c1c(oc2=O)c(C)c(OC(C)C(=O)NC[C@H]2CCC(CC2)C(=O)O)cc1	InChI=1S/C26H29NO7/c1-14-22(33-15(2)24(28)27-13-16-4-6-17(7-5-16)25(29)30)11-10-20-19-9-8-18(32-3)12-21(19)26(31)34-23(14)20/h8-12,15-17H,4-7,13H2,1-3H3,(H,27,28)(H,29,30)/t15?,16-,17?	C26H29NO7	467.511	8	2	111.16	4	8	0	-0.0521999999999993	4.77040000000001	3.44	3.64	73.5548	131.5055	3.4613	435.82644297503
Cond-003544	NPD3626	NPD3626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6378421459	OC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)c1ccc(O)cc1	InChI=1S/C27H22N4O6/c32-17-11-9-15(10-12-17)23(26(35)36)30-24(33)22(13-16-14-28-20-7-3-1-5-18(16)20)31-25(34)19-6-2-4-8-21(19)29-27(31)37/h1-12,14,22-23,28,32H,13H2,(H,29,37)(H,30,33)(H,35,36)/t22-,23+/m0/s1	C27H22N4O6	498.487	10	5	155.32	5	8	0	-2.2051	3.14197000000001	3.33	4.168	47.9554	139.5056	3.51930000000001	429.983729320036
Cond-003545	NPD3627	NPD3627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5700989517	Cc1c(Cl)cc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C23H18ClNO3/c1-13-7-8-16(10-20(13)24)25-11-15-9-19-17-5-3-4-6-18(17)23(26)28-22(19)14(2)21(15)27-12-25/h3-10H,11-12H2,1-2H3	C23H18ClNO3	391.847	4	0	38.77	5	1	1	1.8134	6.21281	3.44	6.164	36.3747	115.208	2.7746	338.095732664018
Cond-003546	NPD3628	NPD3628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.2790145012	COc1ccc2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/Oc2c1C	InChI=1S/C20H20O6/c1-11-14(22-2)7-6-13-18(21)15(26-19(11)13)8-12-9-16(23-3)20(25-5)17(10-12)24-4/h6-10H,1-5H3/b15-8-	C20H20O6	356.369	6	0	63.22	3	5	0	0.0378999999999988	3.7064	3	3.125	51.3767	99.9540000000001	2.609	327.256465712702
Cond-003547	NPD363	NPD363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.3386698934	CCCCCCCCCCCC1=NCCC2C1Nc1c2cc(OC)cc1	InChI=1S/C23H36N2O/c1-3-4-5-6-7-8-9-10-11-12-22-23-19(15-16-24-22)20-17-18(26-2)13-14-21(20)25-23/h13-14,17,19,23,25H,3-12,15-16H2,1-2H3	C23H36N2O	356.545	3	1	33.62	3	11	2	-4.0475	6.83628000000001	3.66	6.903	67.4338	112.9667	3.1098	378.63264130703
Cond-003548	NPD3630	NPD3630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9594173256	COC(=O)COc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)cccc3)c1	InChI=1S/C21H14O7/c1-25-20(23)11-26-13-6-7-14-15(10-19(22)27-18(14)9-13)16-8-12-4-2-3-5-17(12)28-21(16)24/h2-10H,11H2,1H3	C21H14O7	378.332	7	0	88.13	4	5	0	-0.0892000000000001	2.91266	3	3.921	48.8748	100.799	2.571	333.076842235929
Cond-003549	NPD3631	NPD3631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4723393699	CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H]([C@H](C)CC)C(=O)O)ccc12	InChI=1S/C24H32N2O7/c1-5-7-8-16-11-21(29)33-23-15(4)18(10-9-17(16)23)32-13-20(28)25-12-19(27)26-22(24(30)31)14(3)6-2/h9-11,14,22H,5-8,12-13H2,1-4H3,(H,25,28)(H,26,27)(H,30,31)/t14-,22-/m1/s1	C24H32N2O7	460.52	9	3	131.03	2	14	1	-2.0734	3.42519	3.11	3.303	90.9183	127.3142	3.5395	450.480610033864
Cond-003550	NPD3632	NPD3632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4006207355	COc1cc(OC)c(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1	InChI=1S/C28H27NO5/c1-18-22-11-12-25-24(27(22)34-28(30)23(18)13-19-7-5-4-6-8-19)16-29(17-33-25)15-20-9-10-21(31-2)14-26(20)32-3/h4-12,14H,13,15-17H2,1-3H3	C28H27NO5	457.518	6	0	57.23	5	6	1	0.867900000000001	5.97507000000001	3.88	6.521	57.0802	136.489	3.4311	424.308582723241
Cond-003551	NPD3633	NPD3633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.0015858463	Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C29H23NO6/c1-17-20-13-22-23(19-10-6-3-7-11-19)16-35-25(22)15-26(20)36-29(34)21(17)14-27(31)30-24(28(32)33)12-18-8-4-2-5-9-18/h2-11,13,15-16,24H,12,14H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1	C29H23NO6	481.496	7	2	105.84	5	8	1	-0.4611	5.59487000000001	3.88	7.56	48.6895	139.3345	3.50170000000001	431.585417947269
Cond-003552	NPD3634	NPD3634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.7267371638	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(=O)NCCCO	InChI=1S/C21H21NO5/c1-14-18(26-13-19(24)22-10-5-11-23)9-8-16-17(12-20(25)27-21(14)16)15-6-3-2-4-7-15/h2-4,6-9,12,23H,5,10-11,13H2,1H3,(H,22,24)	C21H21NO5	367.395	6	2	84.86	3	8	0	-0.999400000000001	3.05019	3.11	4.214	49.3404	106.0145	2.748	344.122525145374
Cond-003553	NPD3635	NPD3635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9506026477	C[C@H](NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C22H20N2O5/c1-12(21(27)24-11-5-10-17(24)22(28)29)23-20(26)16-9-4-8-15-18(16)13-6-2-3-7-14(13)19(15)25/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,23,26)(H,28,29)/t12-,17-/m0/s1	C22H20N2O5	392.405	7	2	103.78	4	6	0	-2.6005	2.37419	3.11	3.281	50.528	108.7365	2.8371	357.422352577807
Cond-003554	NPD3636	NPD3636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.749551704	Cc1cc(C)c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C25H21NO4/c1-16-8-11-22(17(2)12-16)26-24(27)15-29-19-9-10-20-21(18-6-4-3-5-7-18)14-25(28)30-23(20)13-19/h3-14H,15H2,1-2H3,(H,26,27)	C25H21NO4	399.439	5	1	64.63	4	6	1	0.3677	5.31761	3.66	7.431	39.9419	118.1957	3.0153	373.35040214508
Cond-003555	NPD3637	NPD3637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	22.4807553374	[C@@H]12CCCC[C@]1(O)CCN([C@H]2c1ccc(Cl)cc1)C(=O)C(C)Oc1ccc2c(oc(=O)c(C)c2C)c1	InChI=1S/C29H32ClNO5/c1-17-18(2)28(33)36-25-16-22(11-12-23(17)25)35-19(3)27(32)31-15-14-29(34)13-5-4-6-24(29)26(31)20-7-9-21(30)10-8-20/h7-12,16,19,24,26,34H,4-6,13-15H2,1-3H3/t19?,24-,26-,29-/m0/s1	C29H32ClNO5	510.021	6	1	76.07	5	5	1	-0.323800000000001	5.92547000000001	3.88	5.677	82.4909	141.3298	3.7804	472.988552521142
Cond-003556	NPD3638	NPD3638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8102373266	COc1ccc(CNCCC(CCC(C)C)C2CCOC(C)(C)C2)cc1	InChI=1S/C23H39NO2/c1-18(2)6-9-20(21-13-15-26-23(3,4)16-21)12-14-24-17-19-7-10-22(25-5)11-8-19/h7-8,10-11,18,20-21,24H,6,9,12-17H2,1-5H3	C23H39NO2	361.561	3	1	30.49	2	10	1	-0.0391000000000026	5.59379000000001	3.66	6.519	79.6051	110.9397	3.2203	391.419025201025
Cond-003557	NPD3639	NPD3639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9010208611	COc1c2OCOc2cc2c1C(N(C)CC2)c1c(O)nc(O)n(C(C)CCc2ccccc2)c1=O	InChI=1S/C26H29N3O6/c1-15(9-10-16-7-5-4-6-8-16)29-25(31)20(24(30)27-26(29)32)21-19-17(11-12-28(21)2)13-18-22(23(19)33-3)35-14-34-18/h4-8,13,15,21,30H,9-12,14H2,1-3H3,(H,27,32)	C26H29N3O6	479.525	9	2	104.06	5	6	0	-0.279699999999999	4.27296000000001	3.33	4.568	78.3542	136.3796	3.4936	436.673277990003
Cond-003558	NPD364	NPD364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	86.0659725601	Cc1c(c(=O)c2c(o1)cc(OCC#N)cc2)c1cc2c(OCCCO2)cc1	InChI=1S/C21H17NO5/c1-13-20(14-3-6-17-19(11-14)26-9-2-8-25-17)21(23)16-5-4-15(24-10-7-22)12-18(16)27-13/h3-6,11-12H,2,8-10H2,1H3	C21H17NO5	363.363	6	0	77.78	4	3	0	-1.0472	5.14245	3.11	2.946	49.0777	103.7905	2.5964	329.129607743774
Cond-003559	NPD3640	NPD3640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5943415023	COc1ccc(cc1)c1cc2ccc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)cc2oc1=O	InChI=1S/C30H26N2O8/c1-16(28(34)32-26(29(35)36)12-19-15-31-25-10-6-20(33)13-23(19)25)39-22-9-5-18-11-24(30(37)40-27(18)14-22)17-3-7-21(38-2)8-4-17/h3-11,13-16,26,31,33H,12H2,1-2H3,(H,32,34)(H,35,36)	C30H26N2O8	542.536	10	4	147.18	5	10	0	-1.9806	4.28746000000001	3.66	4.197	62.2602	151.1893	3.85980000000001	477.458616182425
Cond-003560	NPD3641	NPD3641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0664299453	Cc1c2oc(=O)c(CC(=O)NCC(=O)O)c(C)c2cc2c1occ2c1ccc(F)cc1	InChI=1S/C23H18FNO6/c1-11-15-7-17-18(13-3-5-14(24)6-4-13)10-30-21(17)12(2)22(15)31-23(29)16(11)8-19(26)25-9-20(27)28/h3-7,10H,8-9H2,1-2H3,(H,25,26)(H,27,28)	C23H18FNO6	423.391	7	2	105.84	4	6	0	0.5535	4.3334	3.11	2.785	51.4379	114.9275	2.9116	365.042903845575
Cond-003561	NPD3642	NPD3642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2625733547	Cc1c2oc(=O)c(CC(=O)N3CCC(CC3)C(=O)N)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C25H28N2O5/c1-13-17-11-19-16-5-3-4-6-20(16)31-23(19)14(2)22(17)32-25(30)18(13)12-21(28)27-9-7-15(8-10-27)24(26)29/h11,15H,3-10,12H2,1-2H3,(H2,26,29)	C25H28N2O5	436.5	7	2	102.84	5	4	0	-1.0749	3.62418000000001	3.44	2.006	80.2352	124.2454	3.2372	402.226765156208
Cond-003562	NPD3643	NPD3643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.200523992	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOC)c1ccc(cc1)C(C)C	InChI=1S/C33H34N4O4/c1-20(2)21-13-15-22(16-14-21)30-29-25(23-9-4-6-11-26(23)35-29)19-28-32(39)37(33(40)36(28)30)27-12-7-5-10-24(27)31(38)34-17-8-18-41-3/h4-7,9-16,20,28,30,35H,8,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1	C33H34N4O4	550.647	8	2	94.74	6	9	1	-1.6952	5.07438000000001	4.21	7.303	71.1313	160.9437	4.18170000000001	506.459183674114
Cond-003563	NPD3644	NPD3644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5019103157	COc1ccc(CCNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1	InChI=1S/C23H25NO6/c1-14-17-9-10-19(28-3)22(29-4)21(17)30-23(26)18(14)13-20(25)24-12-11-15-5-7-16(27-2)8-6-15/h5-10H,11-13H2,1-4H3,(H,24,25)	C23H25NO6	411.448	7	1	83.09	3	9	0	0.139299999999999	3.70587	3.22	3.03	62.7743	116.3417	3.0885	387.504721097669
Cond-003564	NPD3645	NPD3645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.555197221	Cc1c2oc(=O)c3c(CCC3)c2ccc1OCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)O	InChI=1S/C24H22ClNO6/c1-13-20(10-9-17-16-3-2-4-18(16)24(30)32-22(13)17)31-12-21(27)26-19(23(28)29)11-14-5-7-15(25)8-6-14/h5-10,19H,2-4,11-12H2,1H3,(H,26,27)(H,28,29)	C24H22ClNO6	455.888	7	2	101.93	4	8	0	-0.1166	4.52289	3.22	3.811	66.9603	123.2745	3.2002	405.018856092369
Cond-003565	NPD3646	NPD3646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9190184049	COc1cc(Oc2coc3cc(OC(=O)c4ccc5OCOc5c4)ccc3c2=O)ccc1	InChI=1S/C24H16O8/c1-27-15-3-2-4-16(10-15)31-22-12-28-20-11-17(6-7-18(20)23(22)25)32-24(26)14-5-8-19-21(9-14)30-13-29-19/h2-12H,13H2,1H3	C24H16O8	432.379	8	0	89.52	5	6	1	-1.5176	6.03634	3.22	5.164	38.5518	121.6245	2.9008	367.862105412491
Cond-003566	NPD3647	NPD3647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1521257254	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C23H25N3O5/c1-3-14(2)19(22(29)30)25-20(27)18(13-15-9-5-4-6-10-15)26-21(28)16-11-7-8-12-17(16)24-23(26)31/h4-12,14,18-19H,3,13H2,1-2H3,(H,24,31)(H,25,27)(H,29,30)/t14?,18-,19-/m0/s1	C23H25N3O5	423.462	8	3	119.3	3	9	1	-1.4277	3.04628	3.11	5.904	59.4364	119.3488	3.1864	398.071556112641
Cond-003567	NPD3648	NPD3648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.429237172	Cc1c(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C30H24FNO6S/c1-17-21-11-23-24(19-7-9-20(31)10-8-19)14-37-26(23)13-27(21)38-30(36)22(17)12-28(33)32-25(29(34)35)16-39-15-18-5-3-2-4-6-18/h2-11,13-14,25H,12,15-16H2,1H3,(H,32,33)(H,34,35)/t25-/m0/s1	C30H24FNO6S	545.578	7	2	131.14	5	10	1	0.57	6.08517000000001	3.77	6.655	61.9145	150.9945	3.8238	473.457985481042
Cond-003568	NPD3649	NPD3649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0885905706	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CSC)C(=O)O)c1ccc(OC)cc1	InChI=1S/C31H28N4O6S/c1-41-18-13-11-17(12-14-18)27-26-21(19-7-3-5-9-22(19)32-26)15-25-29(37)35(31(40)34(25)27)24-10-6-4-8-20(24)28(36)33-23(16-42-2)30(38)39/h3-14,23,25,27,32H,15-16H2,1-2H3,(H,33,36)(H,38,39)/t23-,25-,27?/m0/s1	C31H28N4O6S	584.642	10	3	157.34	6	9	1	-1.6957	4.00478	3.66	5.179	73.272	162.074	4.13780000000001	505.320233180303
Cond-003569	NPD365	NPD365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7982056148	COC(=O)c1c(NC(=O)c2c(O)c3c(cccc3)n(CCC(C)C)c2=O)cccc1	InChI=1S/C23H24N2O5/c1-14(2)12-13-25-18-11-7-5-9-16(18)20(26)19(22(25)28)21(27)24-17-10-6-4-8-15(17)23(29)30-3/h4-11,14,26H,12-13H2,1-3H3,(H,24,27)	C23H24N2O5	408.447	7	2	95.94	3	8	1	-1.2528	4.26918000000001	3.22	6.043	59.467	117.6555	3.0866	387.074795904474
Cond-003570	NPD3650	NPD3650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.022326966	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(C)C)C(=O)O)c3)C2=O)c(OC)c1	InChI=1S/C24H25NO8/c1-13(2)22(24(28)29)25-21(26)12-32-16-7-8-17-19(11-16)33-20(23(17)27)9-14-5-6-15(30-3)10-18(14)31-4/h5-11,13,22H,12H2,1-4H3,(H,25,26)(H,28,29)/b20-9-/t22-/m0/s1	C24H25NO8	455.457	9	2	120.39	3	10	0	-1.3152	3.97696	3.11	3.192	69.6755	125.126	3.3038	419.744700423858
Cond-003571	NPD3651	NPD3651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2151540714	CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12	InChI=1S/C21H19BrO4/c1-3-4-15-11-20(24)26-21-13(2)19(10-9-17(15)21)25-12-18(23)14-5-7-16(22)8-6-14/h5-11H,3-4,12H2,1-2H3	C21H19BrO4	415.277	4	0	52.6	3	6	1	0.811199999999999	5.94879	3.22	5.452	54.6191	109.1385	2.7645	343.619157214213
Cond-003572	NPD3652	NPD3652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4997413602	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)c(C)c1c2	InChI=1S/C30H27NO5/c1-18-20(3)35-27-16-28-26(15-25(18)27)19(2)24(30(33)36-28)13-14-29(32)31-22-9-11-23(12-10-22)34-17-21-7-5-4-6-8-21/h4-12,15-16H,13-14,17H2,1-3H3,(H,31,32)	C30H27NO5	481.539	6	1	77.77	5	8	1	0.874800000000001	6.97260000000001	4.1	6.942	55.7133	142.9607	3.6269	442.727634573375
Cond-003573	NPD3653	NPD3653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8764694162	COc1c(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2c(Cl)cccc2)cccc1	InChI=1S/C26H20ClN3O2/c1-32-23-13-7-2-8-16(23)15-28-26(31)22-14-19-17-9-4-6-12-21(17)29-25(19)24(30-22)18-10-3-5-11-20(18)27/h2-14,29H,15H2,1H3,(H,28,31)	C26H20ClN3O2	441.909	5	2	67.01	5	6	1	-0.3511	6.53637000000001	3.66	6.584	28.3851	136.2007	3.20920000000001	373.477604154991
Cond-003574	NPD3654	NPD3654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8495948765	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1	InChI=1S/C33H24ClFN4O3/c34-21-7-5-6-20(16-21)30-29-25(23-8-1-3-10-26(23)37-29)17-28-32(41)39(33(42)38(28)30)27-11-4-2-9-24(27)31(40)36-18-19-12-14-22(35)15-13-19/h1-16,28,30,37H,17-18H2,(H,36,40)/t28-,30?/m0/s1	C33H24ClFN4O3	579.02	7	2	85.51	7	6	1	-0.7159	5.56768000000001	4.1	7.432	48.412	159.8527	4.02550000000001	487.781748791092
Cond-003575	NPD3655	NPD3655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.4135506087	CC1Oc2ccccc2C=C1/C=C/1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O	InChI=1S/C26H17ClO5/c1-15-18(12-17-4-2-3-5-22(17)30-15)13-24-25(28)21-11-10-20(14-23(21)32-24)31-26(29)16-6-8-19(27)9-7-16/h2-15H,1H3/b24-13-	C26H17ClO5	444.863	5	0	61.83	5	4	1	0.3753	6.59615	3.66	6.983	48.5329	126.2145	3.0859	388.658003632174
Cond-003576	NPD3657	NPD3657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.200523992	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C18H31N3O4S/c1-26-10-8-14(19)16(22)20-11-12-4-6-13(7-5-12)17(23)21-9-2-3-15(21)18(24)25/h12-15H,2-11,19H2,1H3,(H,20,22)(H,24,25)/t12-,13-,14-,15-/m0/s1	C18H31N3O4S	385.521	7	4	138.03	2	10	0	-2.1382	1.29889	2.56	-1.276	93.5632	105.0459	2.9963	373.922099946747
Cond-003577	NPD3659	NPD3659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1703459318	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CCSC)C(=O)O	InChI=1S/C18H33N3O4S2/c1-26-9-7-14(19)17(23)20-11-12-3-5-13(6-4-12)16(22)21-15(18(24)25)8-10-27-2/h12-15H,3-11,19H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15+/m0/s1	C18H33N3O4S2	419.602	7	5	172.12	1	14	1	-1.1573	1.54579	2.45	-0.53	104.1418	115.2406	3.2684	404.787582705147
Cond-003578	NPD366	NPD366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9334637965	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)Oc1ccc(cc1)N(=O)=O	InChI=1S/C34H49NO5/c1-4-5-6-7-8-9-10-24-12-18-30-29-17-11-25-23-28(19-21-34(25,3)31(29)20-22-33(24,30)2)40-32(36)39-27-15-13-26(14-16-27)35(37)38/h11,13-16,24,28-31H,4-10,12,17-23H2,1-3H3/t24?,28-,29?,30?,31?,33+,34-/m0/s1	C34H49NO5	551.757	6	0	78.67	5	12	2	0.5125	9.69236999999999	4.54	13.77	116.5747	163.698	4.4915	563.066783982441
Cond-003579	NPD3660	NPD3660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1968568653	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1	InChI=1S/C32H29FN4O3/c33-20-16-14-19(15-17-20)29-28-24(22-10-4-6-12-25(22)35-28)18-27-31(39)37(32(40)36(27)29)26-13-7-5-11-23(26)30(38)34-21-8-2-1-3-9-21/h4-7,10-17,21,27,29,35H,1-3,8-9,18H2,(H,34,38)/t27-,29?/m0/s1	C32H29FN4O3	536.596	7	2	85.51	7	5	1	-2.9622	5.38628000000001	4.1	6.889	56.0401	152.3257	3.8912	474.084072497193
Cond-003580	NPD3661	NPD3661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3603860928	[C@@H]12CCC3=C/C(=N/OCC(=O)NCCc4ccc(O)c(O)c4)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C30H42N2O5/c1-28-12-8-21(32-37-18-27(35)31-15-11-19-4-7-25(33)26(34)16-19)17-20(28)5-6-22-23(28)9-13-29(2)24(22)10-14-30(29,3)36/h4,7,16-17,22-24,33-34,36H,5-6,8-15,18H2,1-3H3,(H,31,35)/b32-21+/t22-,23?,24?,28+,29+,30+/m1/s1	C30H42N2O5	510.665	7	4	111.38	5	7	1	-0.475800000000002	5.15267000000001	3.99	5.198	117.2888	147.3301	4.0277	504.879605687142
Cond-003581	NPD3662	NPD3662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	71.3153561136	COc1c(OC)cc(CCN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2c(OC)cccc2)cc1	InChI=1S/C32H33N3O5/c1-32-30-29(22-10-5-7-11-24(22)33-30)23(21-9-6-8-12-25(21)38-2)18-35(32)28(36)19-34(31(32)37)16-15-20-13-14-26(39-3)27(17-20)40-4/h5-14,17,23,33H,15-16,18-19H2,1-4H3/t23?,32-/m0/s1	C32H33N3O5	539.622	8	1	84.1	6	7	0	-1.6481	4.32199000000001	4.1	4.653	70.177	155.308	4.0427	489.593124241442
Cond-003582	NPD3663	NPD3663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.917530852	CCc1cc(=O)oc2c(C)c3c(CN(Cc4ccc(Cl)cc4)CO3)cc12	InChI=1S/C21H20ClNO3/c1-3-15-9-19(24)26-21-13(2)20-16(8-18(15)21)11-23(12-25-20)10-14-4-6-17(22)7-5-14/h4-9H,3,10-12H2,1-2H3	C21H20ClNO3	369.841	4	0	38.77	4	3	0	1.6554	4.86099	3.22	4.529	54.9587	105.236	2.6874	332.033139514685
Cond-003583	NPD3664	NPD3664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8792392412	C[C@H](NC(=O)[C@@H]1Cc2c(CN1)cccc2)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C21H29N3O4/c1-13(19(25)23-11-14-6-8-15(9-7-14)21(27)28)24-20(26)18-10-16-4-2-3-5-17(16)12-22-18/h2-5,13-15,18,22H,6-12H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-,18-/m0/s1	C21H29N3O4	387.473	7	4	107.53	3	8	0	-1.5355	1.10719	3	2.406	76.468	106.9589	3.0179	376.135194963547
Cond-003584	NPD3665	NPD3665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.6194286823	COc1ccc(cc1OC)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2)/c2ccccc2O1	InChI=1S/C26H19NO5/c1-29-21-13-12-17(14-23(21)30-2)22-15-19(18-10-6-7-11-20(18)31-22)24-26(28)32-25(27-24)16-8-4-3-5-9-16/h3-15H,1-2H3/b24-19-	C26H19NO5	425.433	6	0	66.35	5	4	1	-0.4677	5.22126	3.66	6.868	46.8135	123.764	3.0633	384.443696069908
Cond-003585	NPD3666	NPD3666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.611895782	OC(=O)[C@H](CSCc1ccccc1)NC(=O)COc1ccc2ccc(=O)oc2c1	InChI=1S/C21H19NO6S/c23-19(11-27-16-8-6-15-7-9-20(24)28-18(15)10-16)22-17(21(25)26)13-29-12-14-4-2-1-3-5-14/h1-10,17H,11-13H2,(H,22,23)(H,25,26)/t17-/m0/s1	C21H19NO6S	413.444	7	2	127.23	3	10	0	-0.5038	2.71287	2.89	4.587	57.9178	112.2625	2.9272	368.785317202735
Cond-003586	NPD3667	NPD3667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6256266993	COc1ccc(cc1)/C=C/1\Oc2c(ccc(OCC(=O)N3CCC(CC3)C(=O)O)c2)C1=O	InChI=1S/C24H23NO7/c1-30-17-4-2-15(3-5-17)12-21-23(27)19-7-6-18(13-20(19)32-21)31-14-22(26)25-10-8-16(9-11-25)24(28)29/h2-7,12-13,16H,8-11,14H2,1H3,(H,28,29)/b21-12-	C24H23NO7	437.442	8	1	102.37	4	7	0	-2.3767	4.06616000000001	3.22	3.131	63.6383	121.1093	3.1365	398.598015022497
Cond-003587	NPD3668	NPD3668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8879706152	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCN(C)C	InChI=1S/C25H28N4O3/c1-29(2)13-7-12-26-25(30)21-15-18-17-8-5-6-9-20(17)27-23(18)24(28-21)19-14-16(31-3)10-11-22(19)32-4/h5-6,8-11,14-15,27H,7,12-13H2,1-4H3,(H,26,30)	C25H28N4O3	432.515	7	2	79.48	4	9	0	-1.2058	4.42707000000001	3.44	3.558	52.0005	134.0637	3.342	391.923373470619
Cond-003588	NPD3669	NPD3669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.471004561	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cc(CC)cc4)[C@@H]1C(=O)N(C2=O)c1ccc(OC(=O)C)cc1	InChI=1S/C30H27N3O7/c1-3-16-4-10-21-20(12-16)30(29(39)31-21)26-25(22(32-30)13-17-5-11-23(35)24(36)14-17)27(37)33(28(26)38)18-6-8-19(9-7-18)40-15(2)34/h4-12,14,22,25-26,32,35-36H,3,13H2,1-2H3,(H,31,39)/t22?,25-,26+,30?/m1/s1	C30H27N3O7	541.551	10	4	145.27	6	6	0	-3.0707	3.80158000000001	3.66	3.903	68.1298	148.786	3.83530000000001	480.84514969003
Cond-003589	NPD367	NPD367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2119673707	CCC1(C)C[C@@](CCNCc2ccc(cc2)N(C)C)(CCO1)c1ccc(C)cc1	InChI=1S/C26H38N2O/c1-6-25(3)20-26(16-18-29-25,23-11-7-21(2)8-12-23)15-17-27-19-22-9-13-24(14-10-22)28(4)5/h7-14,27H,6,15-20H2,1-5H3/t25?,26-/m1/s1	C26H38N2O	394.593	3	1	24.5	3	8	1	0.7006	4.83792000000001	3.99	7.675	71.9737	121.9787	3.4465	414.347677783031
Cond-003590	NPD3670	NPD3670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	26.2366984823	C1(C)C(OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC1C24OO3	InChI=1S/C31H44N2O10/c1-18-6-8-22-19(2)28(40-29-31(22)21(18)12-14-30(3,41-29)42-43-31)39-27(38)11-10-26(37)32-15-4-5-25(36)33-16-13-20-7-9-23(34)24(35)17-20/h7,9,17-19,21-22,28-29,34-35H,4-6,8,10-16H2,1-3H3,(H,32,37)(H,33,36)/t18-,19?,21+,22?,28?,29+,30?,31?/m1/s1	C31H44N2O10	604.688	12	4	161.88	4	14	1	-1.4771	3.41819000000001	3.55	3.539	115.778	154.126	4.4621	566.126723815813
Cond-003591	NPD3671	NPD3671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7860832278	Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C(=O)O)c3ccc(O)cc3)c(=O)oc1c2C	InChI=1S/C25H23NO7/c1-12-11-32-22-14(3)23-19(10-18(12)22)13(2)17(25(31)33-23)8-9-20(28)26-21(24(29)30)15-4-6-16(27)7-5-15/h4-7,10-11,21,27H,8-9H2,1-3H3,(H,26,28)(H,29,30)/t21-/m0/s1	C25H23NO7	449.453	8	3	126.07	4	7	0	0.362599999999999	3.82011	3.33	2.558	62.2583	121.0473	3.2344	402.357540947563
Cond-003592	NPD3673	NPD3673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9557680813	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1	InChI=1S/C27H22FN3O2/c1-2-33-24-10-6-4-8-20(24)25-26-21(19-7-3-5-9-22(19)30-26)15-23(31-25)27(32)29-16-17-11-13-18(28)14-12-17/h3-15,30H,2,16H2,1H3,(H,29,32)	C27H22FN3O2	439.481	5	2	67.01	5	7	1	-0.3653	5.85667000000001	3.77	6.659	27.9358	133.4387	3.24540000000001	381.630079860731
Cond-003593	NPD3674	NPD3674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1379887718	[C@@H]12[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(C)c(Cl)ccc34)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)N	InChI=1S/C28H23ClN4O4/c1-14-19(29)12-11-18-23(14)31-27(37)28(18)22-21(20(32-28)13-15-5-3-2-4-6-15)25(35)33(26(22)36)17-9-7-16(8-10-17)24(30)34/h2-12,20-22,32H,13H2,1H3,(H2,30,34)(H,31,37)/t20-,21+,22-,28-/m0/s1	C28H23ClN4O4	514.96	8	4	121.6	6	4	0	-1.6243	2.91671	3.55	4.292	59.4932	139.6548	3.59960000000001	446.090328315214
Cond-003594	NPD3675	NPD3675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.276551356	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(OCC)cc1)c1ccc(OC)cc1	InChI=1S/C35H30N4O5/c1-3-44-24-18-14-22(15-19-24)36-33(40)26-9-5-7-11-29(26)39-34(41)30-20-27-25-8-4-6-10-28(25)37-31(27)32(38(30)35(39)42)21-12-16-23(43-2)17-13-21/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O5	586.637	9	2	103.97	7	8	1	-1.8047	6.44437000000001	4.32	6.969	56.1371	170.3877	4.28460000000001	518.675544823208
Cond-003595	NPD3676	NPD3676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0253699278	OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C31H30N4O6/c36-27(32-24(30(39)40)18-20-10-3-1-4-11-20)25-16-9-17-34(25)29(38)26(19-21-12-5-2-6-13-21)35-28(37)22-14-7-8-15-23(22)33-31(35)41/h1-8,10-15,24-26H,9,16-19H2,(H,32,36)(H,33,41)(H,39,40)/t24-,25-,26-/m0/s1	C31H30N4O6	554.593	10	3	139.61	5	11	2	-2.6183	3.23388	3.77	7.868	68.2559	154.7748	4.08290000000001	510.067667823503
Cond-003596	NPD3678	NPD3678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4515006207	CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3c2ccc(OC)c3)c1C	InChI=1S/C28H29NO7S/c1-6-17(3)25(29-37(32,33)20-10-7-16(2)8-11-20)28(31)35-24-14-13-22-21-12-9-19(34-5)15-23(21)27(30)36-26(22)18(24)4/h7-15,17,25,29H,6H2,1-5H3	C28H29NO7S	523.597	8	1	116.38	4	9	1	-0.146899999999999	5.83641000000001	3.55	6.315	62.7134	140.2997	3.8206	472.754518882764
Cond-003597	NPD3679	NPD3679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.4783886799	[C@@H]12[C@@H](N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)C(C)C	InChI=1S/C24H23N3O4/c1-12(2)20-18-19(24(26-20)16-6-4-5-7-17(16)25-23(24)31)22(30)27(21(18)29)15-10-8-14(9-11-15)13(3)28/h4-12,18-20,26H,1-3H3,(H,25,31)/t18-,19-,20-,24-/m0/s1	C24H23N3O4	417.457	7	2	95.58	5	3	0	-2.1192	2.75229	3.33	2.678	61.1068	117.1834	3.0514	381.864396636347
Cond-003598	NPD368	NPD368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2291470253	Cc1c(CN2CCOCC2)c(=O)oc2c1cc1CCCN3CCCc2c13	InChI=1S/C21H26N2O3/c1-14-17-12-15-4-2-6-23-7-3-5-16(19(15)23)20(17)26-21(24)18(14)13-22-8-10-25-11-9-22/h12H,2-11,13H2,1H3	C21H26N2O3	354.443	5	0	42.01	5	2	0	0.129800000000002	3.48916	3.22	1.852	75.6267	105.451	2.6852	334.271749354019
Cond-003599	NPD3680	NPD3680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.3159482339	CC(Oc1ccc2c(oc(=O)c3c2cccc3)c1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C24H25NO6/c1-14(22(26)25-13-15-6-8-16(9-7-15)23(27)28)30-17-10-11-19-18-4-2-3-5-20(18)24(29)31-21(19)12-17/h2-5,10-12,14-16H,6-9,13H2,1H3,(H,25,26)(H,27,28)/t14?,15-,16-	C24H25NO6	423.458	7	2	101.93	4	7	0	-0.642399999999997	4.17828000000001	3.33	4.605	60.7369	118.9865	3.1208	392.444247022736
Cond-003600	NPD3682	NPD3682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.391889589	CCCCCCc1c(C)c2ccc(OCC(=O)N3Cc4c(CC3C(=O)OC)c3ccccc3[nH]4)cc2oc1=O	InChI=1S/C31H34N2O6/c1-4-5-6-7-10-22-19(2)21-14-13-20(15-28(21)39-30(22)35)38-18-29(34)33-17-26-24(16-27(33)31(36)37-3)23-11-8-9-12-25(23)32-26/h8-9,11-15,27,32H,4-7,10,16-18H2,1-3H3	C31H34N2O6	530.611	8	1	97.93	5	11	2	-1.8938	5.47186000000001	3.99	6.305	83.8941	152.241	4.0123	495.98352350957
Cond-003601	NPD3683	NPD3683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2221515581	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCc1cccs1	InChI=1S/C24H19N3O2S/c28-23(25-13-14-6-5-11-30-14)20-12-18-15-7-3-4-10-19(15)26-21(18)22-16-8-1-2-9-17(16)24(29)27(20)22/h1-11,20,22,26H,12-13H2,(H,25,28)/t20-,22?/m0/s1	C24H19N3O2S	413.492	5	2	93.44	6	4	0	-1.2329	2.77709	3.44	4.927	42.2748	115.5287	2.9459	346.000049891224
Cond-003602	NPD3684	NPD3684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2459630236	CC(C)[C@H](NC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)O	InChI=1S/C24H30N4O5/c1-12(2)17(21(30)31)26-20(29)18(13(3)4)28-22(32)24(5)19-15(10-11-27(24)23(28)33)14-8-6-7-9-16(14)25-19/h6-9,12-13,17-18,25H,10-11H2,1-5H3,(H,26,29)(H,30,31)/t17-,18-,24-/m0/s1	C24H30N4O5	454.519	9	3	122.81	4	7	0	-0.792800000000002	2.26948	3.11	2.246	85.2256	125.2715	3.4045	419.280759647475
Cond-003603	NPD3685	NPD3685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3311833292	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCc3ncccc3)c(C)c1c2	InChI=1S/C22H20N2O4/c1-12-14(3)27-19-10-20-17(8-16(12)19)13(2)18(22(26)28-20)9-21(25)24-11-15-6-4-5-7-23-15/h4-8,10H,9,11H2,1-3H3,(H,24,25)	C22H20N2O4	376.405	6	1	81.43	4	5	0	0.966500000000001	3.93601	3.22	3.241	49.2288	109.6457	2.7784	337.732125877246
Cond-003604	NPD3686	NPD3686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0898040189	CN(C)CCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C22H28N2O4/c1-13-15(3)27-19-12-20-18(11-17(13)19)14(2)16(22(26)28-20)7-8-21(25)23-9-6-10-24(4)5/h11-12H,6-10H2,1-5H3,(H,23,25)	C22H28N2O4	384.469	6	1	71.78	3	8	0	0.970300000000001	3.56221	3.22	2.357	76.0094	113.8087	3.016	368.897960680447
Cond-003605	NPD3687	NPD3687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.1113536059	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)Nc1ccccc1)[C@H]2c1ccc(O)c(OC)c1	InChI=1S/C24H30N2O4/c1-30-21-15-17(10-11-20(21)27)23-19-9-5-6-12-24(19,29)13-14-26(23)16-22(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,19,23,27,29H,5-6,9,12-14,16H2,1H3,(H,25,28)/t19-,23-,24-/m0/s1	C24H30N2O4	410.506	6	3	82.03	4	6	0	-2.7784	4.20048000000001	3.44	3.818	58.2008	118.2773	3.1892	391.13347123138
Cond-003606	NPD3689	NPD3689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5153313551	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCN(CC3)c3cc(Cl)ccc3)c12	InChI=1S/C27H29ClN2O5/c1-17-13-24(32)34-26-20-7-8-27(2,3)35-21(20)15-22(25(17)26)33-16-23(31)30-11-9-29(10-12-30)19-6-4-5-18(28)14-19/h4-6,13-15H,7-12,16H2,1-3H3	C27H29ClN2O5	496.983	7	0	68.31	5	5	0	1.2876	6.07335000000001	3.55	4.126	86.5065	141.223	3.5984	449.393343477575
Cond-003607	NPD369	NPD369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8464187648	CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3c2cccc3)C(=C(N)O1)C(=O)OCCOC	InChI=1S/C22H26N2O7/c1-4-8-15-16(19(25)29-5-2)22(13-9-6-7-10-14(13)24-21(22)27)17(18(23)31-15)20(26)30-12-11-28-3/h6-7,9-10H,4-5,8,11-12,23H2,1-3H3,(H,24,27)/t22-/m0/s1	C22H26N2O7	430.451	9	3	126.18	3	10	0	-1.6409	2.57026	2.89	3.139	84.0449	113.3961	3.1491	403.53218208133
Cond-003608	NPD3690	NPD3690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3467989134	COc1c(OC)cc(CCN2C(=NC(=O)C3(Cc4c(cccc4)N4CCOCC34)C2=O)O)cc1	InChI=1S/C25H27N3O6/c1-32-19-8-7-16(13-20(19)33-2)9-10-28-23(30)25(22(29)26-24(28)31)14-17-5-3-4-6-18(17)27-11-12-34-15-21(25)27/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,26,29,31)	C25H27N3O6	465.498	9	1	100.9	5	5	0	-0.874200000000001	2.10858	3.22	2.864	73.7292	128.6238	3.3527	419.377293364136
Cond-003609	NPD3691	NPD3691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0980636479	[C@@H]12C(NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(Cc1ccc(OC)cc1)C2=O)C(C)C	InChI=1S/C25H27N3O4/c1-13(2)20-18-19(25(27-20)17-7-5-6-14(3)21(17)26-24(25)31)23(30)28(22(18)29)12-15-8-10-16(32-4)11-9-15/h5-11,13,18-20,27H,12H2,1-4H3,(H,26,31)/t18-,19-,20?,25?/m0/s1	C25H27N3O4	433.5	7	2	87.74	5	4	0	-1.2635	2.50791	3.44	2.787	67.8665	119.9004	3.2353	401.796839963014
Cond-003610	NPD3692	NPD3692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.765912908	O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1)OCc1ccccc1	InChI=1S/C26H21NO6/c28-24-14-12-20-11-13-21(16-23(20)33-24)32-25(29)22(15-18-7-3-1-4-8-18)27-26(30)31-17-19-9-5-2-6-10-19/h1-14,16,22H,15,17H2,(H,27,30)/t22-/m1/s1	C26H21NO6	443.448	7	1	90.93	4	10	1	0.0117999999999996	4.27437	3.55	8.314	44.5201	123.9287	3.23060000000001	405.590381471269
Cond-003611	NPD3694	NPD3694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.127596439	CN(C)CCCNC(=O)COc1c2c3c(CCC3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C24H32N2O5/c1-24(2)10-9-17-18(31-24)13-19(29-14-20(27)25-11-6-12-26(3)4)21-15-7-5-8-16(15)23(28)30-22(17)21/h13H,5-12,14H2,1-4H3,(H,25,27)	C24H32N2O5	428.521	7	1	77.1	4	8	0	-0.457400000000002	4.14616000000001	3.33	2.324	91.7668	123.8547	3.2909	413.460156632741
Cond-003612	NPD3695	NPD3695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8650819386	CCOC(=O)c1c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cccc1	InChI=1S/C26H21NO6/c1-2-31-26(30)20-10-6-7-11-22(20)27-24(28)16-32-18-12-13-19-21(17-8-4-3-5-9-17)15-25(29)33-23(19)14-18/h3-15H,2,16H2,1H3,(H,27,28)	C26H21NO6	443.448	7	1	90.93	4	9	1	-0.6547	5.38356	3.55	7.406	45.2199	126.6062	3.23060000000001	405.590381471269
Cond-003613	NPD3696	NPD3696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.704239041	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O	InChI=1S/C26H27ClN4O6/c1-12-15(27)6-5-14-22(12)29-25(35)26(14)21-20(16(30-26)11-19(28)32)23(33)31(24(21)34)9-8-13-4-7-17(36-2)18(10-13)37-3/h4-7,10,16,20-21,30H,8-9,11H2,1-3H3,(H2,28,32)(H,29,35)/t16?,20-,21+,26?/m1/s1	C26H27ClN4O6	526.969	10	4	140.06	5	7	0	-1.4883	1.77131	3.11	0.749	82.9726	136.0588	3.6728	460.244647267802
Cond-003614	NPD3697	NPD3697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.486887002	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)Nc1ccc(CC)cc1)c1ccc(C)cc1	InChI=1S/C35H30N4O3/c1-3-22-10-16-25(17-11-22)36-33(40)24-14-18-26(19-15-24)38-34(41)30-20-28-27-6-4-5-7-29(27)37-31(28)32(39(30)35(38)42)23-12-8-21(2)9-13-23/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O3	554.638	7	2	85.51	7	6	1	-1.0026	6.62749000000001	4.54	9.282	53.0643	165.6847	4.16720000000001	501.095091422086
Cond-003615	NPD3698	NPD3698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.3132803349	Cc1c([O-])cc2c(C[NH+]3CCN(CC3)C(c3ccccc3)c3ccccc3)cc(=O)oc2c1	InChI=1S/C28H28N2O3/c1-20-16-26-24(18-25(20)31)23(17-27(32)33-26)19-29-12-14-30(15-13-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-18,28,31H,12-15,19H2,1H3	C28H28N2O3	440.534	5	1	57.04	5	5	1	-1.5008	3.59989000000001	3.99	6.357	50.6741	131.0497	3.4135	417.724889530286
Cond-003616	NPD3699	NPD3699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	66.37928911	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(CCc1c(Cl)cc(Cl)cc1)C2	InChI=1S/C26H21Cl2NO3/c1-16-25-19(14-29(15-31-25)10-9-18-7-8-20(27)12-23(18)28)11-22-21(13-24(30)32-26(16)22)17-5-3-2-4-6-17/h2-8,11-13H,9-10,14-15H2,1H3	C26H21Cl2NO3	466.356	4	0	38.77	5	4	1	2.3484	6.53469	3.66	7.687	54.6756	131.122	3.2767	402.558295611252
Cond-003617	NPD37	NPD37	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.119420276	COc1c(OC)cc(cc1)C(=O)Oc1cccc2c(OC)ccc(C=O)c12	InChI=1S/C21H18O6/c1-24-16-9-8-14(12-22)20-15(16)5-4-6-18(20)27-21(23)13-7-10-17(25-2)19(11-13)26-3/h4-12H,1-3H3	C21H18O6	366.364	6	0	71.06	3	7	0	-0.4389	4.36648	3.11	4.037	34.533	105.4745	2.6639	328.379532936968
Cond-003618	NPD370	NPD370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8192058367	Cc1cc(O)c(c(=O)o1)C1=Nc2c(SC(C1)c1ccccc1)cccc2	InChI=1S/C21H17NO3S/c1-13-11-17(23)20(21(24)25-13)16-12-19(14-7-3-2-4-8-14)26-18-10-6-5-9-15(18)22-16/h2-11,19,23H,12H2,1H3	C21H17NO3S	363.43	4	1	84.19	4	2	1	0.5479	4.91176	3.22	5.781	54.7182	105.4378	2.6425	330.058178400252
Cond-003619	NPD3700	NPD3700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.4102047832	CCOc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C26H23NO4/c1-3-29-21-11-9-20(10-12-21)27-15-19-13-23-22(18-7-5-4-6-8-18)14-24(28)31-26(23)17(2)25(19)30-16-27/h4-14H,3,15-16H2,1-2H3	C26H23NO4	413.465	5	0	48	5	4	1	0.7912	6.11558	3.77	7.173	45.89	124.764	3.0906	380.926386770947
Cond-003620	NPD3701	NPD3701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3140687411	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC	InChI=1S/C32H27ClN4O5/c1-3-42-30(40)17-8-10-20(11-9-17)37-28(38)25-24(13-18-15-34-23-7-5-4-6-21(18)23)36-32(26(25)29(37)39)22-14-19(33)12-16(2)27(22)35-31(32)41/h4-12,14-15,24-26,34,36H,3,13H2,1-2H3,(H,35,41)/t24?,25-,26+,32?/m1/s1	C32H27ClN4O5	583.034	9	3	120.6	7	6	0	-1.1483	4.39910000000001	3.88	4.363	71.6339	160.4234	4.07030000000001	498.171576117642
Cond-003621	NPD3702	NPD3702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.614116228	Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C23H24N2O4/c1-14-17-10-16-4-7-23(2,3)29-19(16)12-20(17)28-22(27)18(14)11-21(26)25-13-15-5-8-24-9-6-15/h5-6,8-10,12H,4,7,11,13H2,1-3H3,(H,25,26)	C23H24N2O4	392.448	6	1	77.52	4	5	0	0.797100000000001	4.29746000000001	3.33	3.236	61.0794	113.9467	2.9623	368.564569203913
Cond-003622	NPD3703	NPD3703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6723454142	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCc3ncccc3)ccc12	InChI=1S/C24H20N2O5/c1-29-18-7-5-16(6-8-18)21-13-24(28)31-22-12-19(9-10-20(21)22)30-15-23(27)26-14-17-4-2-3-11-25-17/h2-13H,14-15H2,1H3,(H,26,27)	C24H20N2O5	416.426	7	1	86.75	4	8	0	-0.956500000000001	3.80847	3.33	4.218	40.9657	118.5217	3.0329	375.841404427941
Cond-003623	NPD3704	NPD3704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.4093253919	C1(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(C(C)CC)C(=O)O)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC1C24OO3	InChI=1S/C29H46N2O10/c1-6-16(2)24(25(35)36)31-22(33)8-7-15-30-21(32)11-12-23(34)37-26-18(4)20-10-9-17(3)19-13-14-28(5)39-27(38-26)29(19,20)41-40-28/h16-20,24,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t16?,17-,18?,19+,20?,24?,26?,27+,28?,29?/m1/s1	C29H46N2O10	582.683	12	3	158.72	3	15	2	-1.3239	3.26359	3.33	3.535	129.3725	146.6622	4.3749	560.06413066648
Cond-003624	NPD3705	NPD3705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4163420287	COc1c(OC)cc(/C=C/2\Oc3c(C[NH+](C)Cc4ccccc4)c([O-])ccc3C2=O)cc1	InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-20-21(28)11-10-19-25(29)24(32-26(19)20)14-18-9-12-22(30-2)23(13-18)31-3/h4-14,28H,15-16H2,1-3H3/b24-14-	C26H25NO5	431.48	6	1	72.26	4	7	1	-2.613	2.27068	3.66	5.229	46.3641	121.8807	3.2579	402.073072172308
Cond-003625	NPD3706	NPD3706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6289270895	CC(C)[C@H](NC(=O)C1CN(C(=O)C1)c1cc2c(OCCO2)cc1)C(=O)NCCC(=O)O	InChI=1S/C21H27N3O7/c1-12(2)19(21(29)22-6-5-18(26)27)23-20(28)13-9-17(25)24(11-13)14-3-4-15-16(10-14)31-8-7-30-15/h3-4,10,12-13,19H,5-9,11H2,1-2H3,(H,22,29)(H,23,28)(H,26,27)/t13?,19-/m0/s1	C21H27N3O7	433.455	10	3	134.27	3	10	0	-2.0653	1.80417	2.67	-0.201	81.9414	115.6512	3.151	399.86941636443
Cond-003626	NPD3707	NPD3707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5004614502	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1cccc(c1)C(F)(F)F	InChI=1S/C27H17F3O5/c1-15-22(33-14-16-5-4-7-18(11-16)27(28,29)30)10-9-19-20(13-24(31)35-25(15)19)21-12-17-6-2-3-8-23(17)34-26(21)32/h2-13H,14H2,1H3	C27H17F3O5	478.416	5	0	61.83	5	5	1	1.8531	5.86158000000001	3.55	7.93	48.9733	123.497	3.15750000000001	408.945597038526
Cond-003627	NPD3708	NPD3708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8142974732	O=N(=O)c1ccc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)cc1	InChI=1S/C25H15NO7/c27-24-13-20(21-11-16-3-1-2-4-22(16)33-25(21)28)19-10-9-18(12-23(19)32-24)31-14-15-5-7-17(8-6-15)26(29)30/h1-13H,14H2	C25H15NO7	441.389	8	0	104.97	5	5	1	0.7731	4.36756	3.33	6.38	40.9266	121.834	2.9968	382.091706144363
Cond-003628	NPD3709	NPD3709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5683453237	Clc1c(CNC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cccc1	InChI=1S/C24H18ClNO4/c25-21-9-5-4-8-17(21)14-26-23(27)15-29-18-10-11-19-20(16-6-2-1-3-7-16)13-24(28)30-22(19)12-18/h1-13H,14-15H2,(H,26,27)	C24H18ClNO4	419.857	5	1	64.63	4	7	1	-0.1604	4.59837	3.44	7.035	39.2655	117.8777	2.9968	371.265485289646
Cond-003629	NPD371	NPD371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.536469617	CCc1cc(c2n[nH]cc2c2cc3c(OCO3)cc2)c(O)cc1OCC(=O)O	InChI=1S/C20H18N2O6/c1-2-11-5-13(15(23)7-17(11)26-9-19(24)25)20-14(8-21-22-20)12-3-4-16-18(6-12)28-10-27-16/h3-8,23H,2,9-10H2,1H3,(H,21,22)(H,24,25)	C20H18N2O6	382.367	8	3	113.9	4	6	0	-1.4722	4.42476	2.78	2.629	37.0876	111.7408	2.657	323.357068727435
Cond-003630	NPD3710	NPD3710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1741507993	Cc1c(C)c2cc3c(OCN(Cc4c(Cl)cc(Cl)cc4)C3)c(C)c2oc1=O	InChI=1S/C21H19Cl2NO3/c1-11-12(2)21(25)27-20-13(3)19-15(6-17(11)20)9-24(10-26-19)8-14-4-5-16(22)7-18(14)23/h4-7H,8-10H2,1-3H3	C21H19Cl2NO3	404.286	4	0	38.77	4	2	0	3.2879	5.51439	3.11	4.342	60.083	110.246	2.8098	347.244207285118
Cond-003631	NPD3711	NPD3711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9129574679	CC[NH+](CC)Cc1c2oc(=O)c(cc2ccc1[O-])c1c(OC)cc(OC)cc1	InChI=1S/C22H25NO5/c1-5-23(6-2)13-18-19(24)10-7-14-11-17(22(25)28-21(14)18)16-9-8-15(26-3)12-20(16)27-4/h7-12,24H,5-6,13H2,1-4H3	C22H25NO5	383.438	6	1	72.26	3	7	0	-1.4435	3.09027	3.22	3.167	54.715	110.8917	2.9319	364.054968472041
Cond-003632	NPD3712	NPD3712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.579260026	COc1c(OC)cc(/C=C/2\Oc3c(ccc(OCC(=O)NCC(=O)O)c3)C2=O)cc1	InChI=1S/C21H19NO8/c1-27-15-6-3-12(7-17(15)28-2)8-18-21(26)14-5-4-13(9-16(14)30-18)29-11-19(23)22-10-20(24)25/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)/b18-8-	C21H19NO8	413.377	9	2	120.39	3	9	0	-1.9328	2.95236	2.78	2.011	56.6469	111.367	2.8811	367.856746546257
Cond-003633	NPD3713	NPD3713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6192911127	Fc1ccc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)c(F)c1	InChI=1S/C25H14F2O5/c26-16-6-5-15(21(27)10-16)13-30-17-7-8-18-19(12-24(28)31-23(18)11-17)20-9-14-3-1-2-4-22(14)32-25(20)29/h1-12H,13H2	C25H14F2O5	432.372	5	0	61.83	5	4	1	1.0724	4.87856	3.44	6.411	38.7816	113.222	2.858	368.286068936487
Cond-003634	NPD3714	NPD3714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3666097144	Fc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(Cl)cc1	InChI=1S/C26H19ClFN3O/c27-18-9-5-16(6-10-18)13-14-29-26(32)23-15-21-20-3-1-2-4-22(20)30-25(21)24(31-23)17-7-11-19(28)12-8-17/h1-12,15,30H,13-14H2,(H,29,32)	C26H19ClFN3O	443.9	4	2	57.78	5	6	1	0.436	6.49337	3.66	6.923	26.3936	132.9027	3.16820000000001	370.754936304736
Cond-003635	NPD3715	NPD3715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6508595139	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccccc1	InChI=1S/C27H33N3O3S/c1-16(2)15-21(23(31)28-17(3)18-11-7-6-8-12-18)29-24(32)22-27(4,5)34-26-20-14-10-9-13-19(20)25(33)30(22)26/h6-14,16-17,21-22,26H,15H2,1-5H3,(H,28,31)(H,29,32)/t17?,21-,22+,26?/m0/s1	C27H33N3O3S	479.634	6	2	103.81	4	9	1	-0.072299999999998	3.7842	3.66	6.774	81.7253	136.9274	3.73050000000001	458.464065272586
Cond-003636	NPD3716	NPD3716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3575297941	COc1cc(OC)c2c(oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c2C)c1	InChI=1S/C18H20N2O8/c1-9-11(6-14(21)19-7-15(22)20-8-16(23)24)18(25)28-13-5-10(26-2)4-12(27-3)17(9)13/h4-5H,6-8H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)	C18H20N2O8	392.36	10	3	140.26	2	10	0	-1.3543	0.838080000000001	2.34	-0.605	70.0793	101.3512	2.7528	355.494928979224
Cond-003637	NPD3718	NPD3718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.761280142	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(Cl)cc(C)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1c(OCC)cccc1	InChI=1S/C31H28ClN3O4/c1-3-39-24-13-7-4-9-18(24)27(36)25-23-12-8-14-35(23)31(20-15-17(2)16-21(32)26(20)34-29(31)38)30(25)19-10-5-6-11-22(19)33-28(30)37/h4-7,9-11,13,15-16,23,25H,3,8,12,14H2,1-2H3,(H,33,37)(H,34,38)/t23-,25-,30+,31+/m0/s1	C31H28ClN3O4	542.025	7	2	87.74	7	4	0	-1.3495	5.929	3.99	4.566	68.3327	150.5259	3.8569	477.261521984647
Cond-003638	NPD3719	NPD3719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6360039565	CCN1CC[NH+](Cc2c3oc(=O)c(cc3ccc2[O-])c2c(OC)ccc(OC)c2)CC1	InChI=1S/C24H28N2O5/c1-4-25-9-11-26(12-10-25)15-20-21(27)7-5-16-13-19(24(28)31-23(16)20)18-14-17(29-2)6-8-22(18)30-3/h5-8,13-14,27H,4,9-12,15H2,1-3H3	C24H28N2O5	424.49	7	1	75.5	4	6	0	-1.7366	2.38597	3.33	2.387	66.4713	121.6577	3.2049	397.287239231141
Cond-003639	NPD372	NPD372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.869493449	CCOC(=O)C(C)Oc1cc2c(cc1)c(=O)c(c(C)o2)c1cc2c(OCCCO2)cc1	InChI=1S/C24H24O7/c1-4-27-24(26)15(3)30-17-7-8-18-20(13-17)31-14(2)22(23(18)25)16-6-9-19-21(12-16)29-11-5-10-28-19/h6-9,12-13,15H,4-5,10-11H2,1-3H3	C24H24O7	424.443	7	0	80.29	4	6	0	-0.724300000000002	4.47107000000001	3.33	4.105	63.8208	116.787	3.0797	390.23771351513
Cond-003640	NPD3720	NPD3720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.568859768	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCc3ncccc3)c(C)c1c2	InChI=1S/C23H22N2O4/c1-12-15(4)28-21-14(3)22-18(9-17(12)21)13(2)19(23(27)29-22)10-20(26)25-11-16-7-5-6-8-24-16/h5-9H,10-11H2,1-4H3,(H,25,26)	C23H22N2O4	390.432	6	1	81.43	4	5	0	1.6085	3.96403	3.33	3.353	54.7309	113.2857	2.9193	355.028110503113
Cond-003641	NPD3721	NPD3721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9663987255	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C32H34N4O6/c1-3-20(2)27(31(40)41)35-28(37)25(18-21-12-6-4-7-13-21)33-29(38)26(19-22-14-8-5-9-15-22)36-30(39)23-16-10-11-17-24(23)34-32(36)42/h4-17,20,25-27H,3,18-19H2,1-2H3,(H,33,38)(H,34,42)(H,35,37)(H,40,41)/t20?,25-,26+,27-/m0/s1	C32H34N4O6	570.636	10	4	144.91	4	14	2	-2.7104	4.46258000000001	3.88	8.28	74.0312	160.1484	4.33240000000001	539.720111150169
Cond-003642	NPD3722	NPD3722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.564356436	Cc1cccc(c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C24H19NO3/c1-16-6-5-9-18(12-16)25-14-21-22(27-15-25)11-10-19-20(13-23(26)28-24(19)21)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3	C24H19NO3	369.413	4	0	38.77	5	2	1	0.5926	5.71688	3.66	7.616	34.2804	113.595	2.7501	337.544190818652
Cond-003643	NPD3723	NPD3723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.763299462	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3cccc(c3)C(F)(F)F)c1C)c2	InChI=1S/C23H18F3NO4/c1-12-11-30-19-10-20-18(9-17(12)19)13(2)16(22(29)31-20)6-7-21(28)27-15-5-3-4-14(8-15)23(24,25)26/h3-5,8-11H,6-7H2,1-2H3,(H,27,28)	C23H18F3NO4	429.389	5	1	68.54	4	6	1	1.6759	6.40198000000001	3.11	5.095	50.0841	111.0977	2.8726	362.234026845865
Cond-003644	NPD3724	NPD3724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.2034578112	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cc(C)cc3Cl)[C@@H]1C(=O)N(C(=O)[C@H]21)c1cc2c(OCO2)cc1	InChI=1S/C24H20ClN3O5/c1-11-7-13-20(14(25)8-11)26-23(31)24(13)19-18(15-3-2-6-27(15)24)21(29)28(22(19)30)12-4-5-16-17(9-12)33-10-32-16/h4-5,7-9,15,18-19H,2-3,6,10H2,1H3,(H,26,31)/t15-,18+,19-,24+/m0/s1	C24H20ClN3O5	465.886	8	1	88.18	7	1	0	-1.4854	4.10339	3.11	1.661	64.7918	122.6247	3.0583	383.789232406541
Cond-003645	NPD3725	NPD3725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.9758682738	COc1cc(OC)c(CNC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C25H25NO6/c1-14-13-31-22-11-23-20(10-19(14)22)15(2)18(25(28)32-23)7-8-24(27)26-12-16-5-6-17(29-3)9-21(16)30-4/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,26,27)	C25H25NO6	435.469	7	1	87	4	8	0	0.485799999999999	5.03509	3.44	3.036	62.9933	124.5227	3.2187	396.203772947802
Cond-003646	NPD3726	NPD3726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3987280929	Cc1coc2c1cc1c(C)c(CC(=O)NCCCN3CCOCC3)c(=O)oc1c2C	InChI=1S/C23H28N2O5/c1-14-13-29-21-16(3)22-18(11-17(14)21)15(2)19(23(27)30-22)12-20(26)24-5-4-6-25-7-9-28-10-8-25/h11,13H,4-10,12H2,1-3H3,(H,24,26)	C23H28N2O5	412.479	7	1	81.01	4	7	0	0.798099999999998	2.96191	3.22	1.403	79.9881	115.4677	3.107	382.627713306074
Cond-003647	NPD3727	NPD3727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1539728283	COc1ccc(OC)c(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCN1CCOCC1	InChI=1S/C27H30N4O4/c1-33-18-8-9-24(34-2)21(16-18)26-25-20(19-6-3-4-7-22(19)29-25)17-23(30-26)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,29H,5,10-15H2,1-2H3,(H,28,32)	C27H30N4O4	474.551	8	2	88.71	5	9	0	-1.5181	4.19767000000001	3.55	3.158	61.075	142.7687	3.5739	422.949110722114
Cond-003648	NPD3728	NPD3728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.535345204	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)CC	InChI=1S/C28H32N4O3/c1-5-16(4)29-27(34)23(15(2)3)31-26(33)22-14-20-17-10-8-9-13-21(17)30-24(20)25-18-11-6-7-12-19(18)28(35)32(22)25/h6-13,15-16,22-23,25,30H,5,14H2,1-4H3,(H,29,34)(H,31,33)/t16?,22-,23-,25?/m0/s1	C28H32N4O3	472.579	7	3	94.3	5	8	0	-2.2899	3.28189000000001	3.77	4.923	72.9081	137.9654	3.65610000000001	442.35486864742
Cond-003649	NPD3729	NPD3729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.6912307654	CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2OCOc2c1	InChI=1S/C23H27N3O4/c1-14(2)9-19(23(28)25-17-7-8-20-21(11-17)30-13-29-20)26-22(27)18-10-15-5-3-4-6-16(15)12-24-18/h3-8,11,14,18-19,24H,9-10,12-13H2,1-2H3,(H,25,28)(H,26,27)/t18-,19-/m0/s1	C23H27N3O4	409.478	7	3	88.69	4	8	0	-1.4044	3.59447000000001	3.22	4.348	60.5979	118.1451	3.1051	382.19778811288
Cond-003650	NPD373	NPD373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5728839579	[C@H]12CCCCN1CCC[C@H]2COC(=O)C1(CCCC1)c1ccc(Cl)cc1	InChI=1S/C22H30ClNO2/c23-19-10-8-18(9-11-19)22(12-2-3-13-22)21(25)26-16-17-6-5-15-24-14-4-1-7-20(17)24/h8-11,17,20H,1-7,12-16H2/t17-,20+/m0/s1	C22H30ClNO2	375.932	3	0	29.54	4	5	1	-1.3727	5.19339000000001	3.44	5.226	69.4153	107.736	2.9416	361.984732243191
Cond-003651	NPD3731	NPD3731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5393389953	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC)c1ccc(C)cc1	InChI=1S/C29H25N3O4/c1-3-36-28(34)19-12-14-20(15-13-19)31-27(33)24-16-22-21-6-4-5-7-23(21)30-25(22)26(32(24)29(31)35)18-10-8-17(2)9-11-18/h4-15,24,26,30H,3,16H2,1-2H3/t24-,26?/m0/s1	C29H25N3O4	479.526	7	1	82.71	6	5	1	-0.4131	4.38940000000001	3.88	6.801	51.5545	137.625	3.51830000000001	426.27848496248
Cond-003652	NPD3733	NPD3733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8904076153	Cc1c(C)c2cc3c(oc(=O)c(CCC(=O)NCCCCCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c3C)cc2o1	InChI=1S/C32H36N2O7/c1-19-21(3)40-27-18-28-25(17-24(19)27)20(2)23(32(39)41-28)13-14-29(35)33-15-9-5-8-12-30(36)34-26(31(37)38)16-22-10-6-4-7-11-22/h4,6-7,10-11,17-18,26H,5,8-9,12-16H2,1-3H3,(H,33,35)(H,34,36)(H,37,38)/t26-/m0/s1	C32H36N2O7	560.637	9	3	134.94	4	15	2	-0.769600000000001	4.98301000000001	3.99	5.723	90.2272	158.8182	4.2775	531.789734835997
Cond-003653	NPD3734	NPD3734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.466150681	COc1cccc(c1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C22H17NO4/c1-25-15-6-4-5-14(11-15)23-12-19-20(26-13-23)10-9-17-16-7-2-3-8-18(16)22(24)27-21(17)19/h2-11H,12-13H2,1H3	C22H17NO4	359.375	5	0	48	5	2	1	-0.2667	5.51197	3.33	5.4	27.0707	109.47	2.57	314.378906968279
Cond-003654	NPD3735	NPD3735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2147048671	COc1cc(/C=C/2\Oc3cc(OCC(=O)C)ccc3C2=O)cc(OC)c1OC	InChI=1S/C21H20O7/c1-12(22)11-27-14-5-6-15-16(10-14)28-17(20(15)23)7-13-8-18(24-2)21(26-4)19(9-13)25-3/h5-10H,11H2,1-4H3/b17-7-	C21H20O7	384.379	7	0	80.29	3	7	0	-1.1621	3.58287	3	2.66	55.5103	105.672	2.7656	350.70621833833
Cond-003655	NPD3736	NPD3736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	67.3756568952	[C@@H]12Cc3c([nH]c4ccccc34)C(C)N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(OC)cc1	InChI=1S/C29H26N4O4/c1-17-26-22(20-7-3-5-9-23(20)31-26)15-25-28(35)33(29(36)32(17)25)24-10-6-4-8-21(24)27(34)30-16-18-11-13-19(37-2)14-12-18/h3-14,17,25,31H,15-16H2,1-2H3,(H,30,34)/t17?,25-/m0/s1	C29H26N4O4	494.541	8	2	94.74	6	6	1	-1.9404	3.77208	3.77	5.081	55.1384	142.4937	3.61810000000001	437.275245170647
Cond-003656	NPD3737	NPD3737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0201706367	Cc1c(C)c2ccc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)c(C)c2oc1=O	InChI=1S/C28H31NO6/c1-17-18(2)26(30)35-25-19(3)24(14-13-23(17)25)34-27(31)22-11-9-20(10-12-22)15-29-28(32)33-16-21-7-5-4-6-8-21/h4-8,13-14,20,22H,9-12,15-16H2,1-3H3,(H,29,32)	C28H31NO6	477.549	7	1	90.93	4	9	1	2.3312	4.87921000000001	3.77	6.36	79.4169	134.1227	3.6414	458.991726825403
Cond-003657	NPD3738	NPD3738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.3713761556	CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C26H30N4O7S/c1-15(31)21(25(35)36)29-22(32)19(12-13-38-2)27-23(33)20(14-16-8-4-3-5-9-16)30-24(34)17-10-6-7-11-18(17)28-26(30)37/h3-11,15,19-21,31H,12-14H2,1-2H3,(H,27,33)(H,28,37)(H,29,32)(H,35,36)/t15?,19-,20-,21-/m0/s1	C26H30N4O7S	542.604	11	5	193.93	3	14	2	-2.1592	1.61888	3	4.677	85.8303	146.5043	3.94680000000001	494.40928895633
Cond-003658	NPD3739	NPD3739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4097071782	O=C(N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1)OCc1ccccc1	InChI=1S/C31H26N2O6/c34-29-25-11-6-10-23(25)24-14-13-21(16-28(24)39-29)38-30(35)27(15-20-17-32-26-12-5-4-9-22(20)26)33-31(36)37-18-19-7-2-1-3-8-19/h1-5,7-9,12-14,16-17,27,32H,6,10-11,15,18H2,(H,33,36)/t27-/m1/s1	C31H26N2O6	522.548	8	2	106.72	6	10	1	-0.856300000000001	5.15007000000001	3.99	7.175	58.0974	149.6687	3.7747	464.817688706369
Cond-003659	NPD374	NPD374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4170627971	CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C25H34O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,8,18-21H,6-7,9-14H2,1-4H3/t18?,19?,20?,21?,24-,25-/m0/s1	C25H34O5	414.534	5	0	69.67	4	6	0	0.315300000000001	4.63567000000001	3.66	4.747	112.8193	115.066	3.2752	422.299079543075
Cond-003660	NPD3740	NPD3740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.6042000097	COc1cc(OC)c(/C=C/2\Oc3cc(OCC(=O)C)ccc3C2=O)cc1OC	InChI=1S/C21H20O7/c1-12(22)11-27-14-5-6-15-17(9-14)28-20(21(15)23)8-13-7-18(25-3)19(26-4)10-16(13)24-2/h5-10H,11H2,1-4H3/b20-8-	C21H20O7	384.379	7	0	80.29	3	7	0	-1.1621	3.58287	3	2.66	55.5103	105.672	2.7656	350.70621833833
Cond-003661	NPD3741	NPD3741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7219383347	COc1ccc(CNC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1OC	InChI=1S/C25H25NO6/c1-13-8-20-23(24-22(13)14(2)12-31-24)15(3)17(25(28)32-20)10-21(27)26-11-16-6-7-18(29-4)19(9-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27)	C25H25NO6	435.469	7	1	87	4	7	0	1.0654	4.11751	3.44	3.19	63.63	121.2187	3.2187	396.203772947802
Cond-003662	NPD3742	NPD3742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0427386616	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C23H25N3O5/c1-14(2)12-18(22(29)30)24-20(27)19(13-15-8-4-3-5-9-15)26-21(28)16-10-6-7-11-17(16)25-23(26)31/h3-11,14,18-19H,12-13H2,1-2H3,(H,24,27)(H,25,31)(H,29,30)/t18-,19-/m0/s1	C23H25N3O5	423.462	8	3	119.3	3	9	1	-0.495900000000001	3.04628	3.11	6.115	60.8104	119.3488	3.1864	398.071556112641
Cond-003663	NPD3743	NPD3743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.716794293	CCc1ccc(cc1)C1CN2C(=O)CN(Cc3ccco3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H27N3O3/c1-3-18-10-12-19(13-11-18)22-16-31-24(32)17-30(15-20-7-6-14-34-20)27(33)28(31,2)26-25(22)21-8-4-5-9-23(21)29-26/h4-14,22,29H,3,15-17H2,1-2H3/t22?,28-/m0/s1	C28H27N3O3	453.532	6	1	69.55	6	4	1	-1.5955	4.05039000000001	3.88	5.97	55.7474	134.102	3.4047	405.465191037653
Cond-003664	NPD3744	NPD3744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9741274103	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C21H19N3O2S/c25-19(22-10-9-13-11-23-17-8-4-3-5-14(13)17)18-12-27-21-16-7-2-1-6-15(16)20(26)24(18)21/h1-8,11,18,21,23H,9-10,12H2,(H,22,25)/t18-,21?/m0/s1	C21H19N3O2S	377.459	5	2	90.5	5	5	0	-0.8455	2.70189	3.11	3.868	46.353	110.5937	2.7178	322.641472116024
Cond-003665	NPD3745	NPD3745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4140697618	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NC(C)CCc1ccccc1	InChI=1S/C29H27N3O2/c1-18(15-16-19-9-3-2-4-10-19)30-28(33)25-17-23-20-11-7-8-14-24(20)31-26(23)27-21-12-5-6-13-22(21)29(34)32(25)27/h2-14,18,25,27,31H,15-17H2,1H3,(H,30,33)/t18?,25-,27?/m0/s1	C29H27N3O2	449.544	5	2	65.2	6	6	1	-2.0598	4.36389000000001	4.1	8.046	46.8427	135.6687	3.44390000000001	411.334490262158
Cond-003666	NPD3746	NPD3746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.2275810462	NC(=O)C[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C25H26N6O8/c26-19(32)11-16(21(34)29-17(24(37)38)12-20(27)33)28-22(35)18(10-13-6-2-1-3-7-13)31-23(36)14-8-4-5-9-15(14)30-25(31)39/h1-9,16-18H,10-12H2,(H2,26,32)(H2,27,33)(H,28,35)(H,29,34)(H,30,39)(H,37,38)/t16-,17+,18-/m0/s1	C25H26N6O8	538.509	14	8	234.58	3	14	3	-3.3163	-0.764220000000001	2.67	1.156	76.8365	139.4473	3.8147	484.115109988158
Cond-003667	NPD3747	NPD3747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.6412611108	COC(=O)c1ccc(cc1)N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1	InChI=1S/C27H23NO5/c1-17-21-12-13-24-23(25(21)33-27(30)22(17)14-18-6-4-3-5-7-18)15-28(16-32-24)20-10-8-19(9-11-20)26(29)31-2/h3-13H,14-16H2,1-2H3	C27H23NO5	441.475	6	0	65.07	5	5	1	0.971099999999999	6.05996000000001	3.77	7.024	49.7248	130.5135	3.2472	404.376139396574
Cond-003668	NPD3748	NPD3748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.544015826	COc1cc(cc(OC)c1OC)c1cn2CCc3cc(OC)c(OC)cc3c2c1	InChI=1S/C23H25NO5/c1-25-19-9-14-6-7-24-13-16(8-18(24)17(14)12-20(19)26-2)15-10-21(27-3)23(29-5)22(11-15)28-4/h8-13H,6-7H2,1-5H3	C23H25NO5	395.448	6	0	51.08	4	6	0	0.0214000000000009	5.42398	3.33	2.991	48.641	116.638	2.9642	358.094494397108
Cond-003669	NPD3749	NPD3749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3826567729	COc1c(OC)c(OC)c(cc1)/C=C/1\Oc2c(C[NH+]3CCCCC3)c([O-])ccc2C1=O	InChI=1S/C24H27NO6/c1-28-19-10-7-15(22(29-2)24(19)30-3)13-20-21(27)16-8-9-18(26)17(23(16)31-20)14-25-11-5-4-6-12-25/h7-10,13,26H,4-6,11-12,14H2,1-3H3/b20-13-	C24H27NO6	425.474	7	1	81.49	4	6	0	-3.6195	1.97268	3.33	2.741	61.4302	116.7037	3.1638	395.080705723536
Cond-003670	NPD3750	NPD3750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.7441929279	COc1cccc(c1)C(=O)Nc1c(c(=O)c2ccccc2o1)c1ccccc1	InChI=1S/C23H17NO4/c1-27-17-11-7-10-16(14-17)22(26)24-23-20(15-8-3-2-4-9-15)21(25)18-12-5-6-13-19(18)28-23/h2-14H,1H3,(H,24,26)	C23H17NO4	371.385	5	1	64.63	4	5	1	-0.823	4.35557	3.44	7.082	28.8617	109.2432	2.7335	338.758432893346
Cond-003671	NPD3751	NPD3751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.1810522191	CCCCc1ccc(cc1)N1COc2c(C1)cc1c(CC)cc(=O)oc1c2C	InChI=1S/C24H27NO3/c1-4-6-7-17-8-10-20(11-9-17)25-14-19-12-21-18(5-2)13-22(26)28-24(21)16(3)23(19)27-15-25/h8-13H,4-7,14-15H2,1-3H3	C24H27NO3	377.476	4	0	38.77	4	5	1	0.437199999999999	6.42118000000001	3.66	6.731	61.2182	116.954	2.9877	368.710025621852
Cond-003672	NPD3752	NPD3752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.642304301	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3c(cccc3C)C(C)C)cc12	InChI=1S/C25H29NO3/c1-6-8-18-12-22(27)29-25-17(5)24-19(11-21(18)25)13-26(14-28-24)23-16(4)9-7-10-20(23)15(2)3/h7,9-12,15H,6,8,13-14H2,1-5H3	C25H29NO3	391.503	4	0	38.77	4	4	1	1.6332	6.67481000000001	3.77	6.571	67.726	120.954	3.1286	386.006010247719
Cond-003673	NPD3753	NPD3753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.1972852797	Cc1ccc(cc1)C1CN2C(=O)CN(CCc3ccccc3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H29N3O2/c1-20-12-14-22(15-13-20)24-18-33-26(34)19-32(17-16-21-8-4-3-5-9-21)29(35)30(33,2)28-27(24)23-10-6-7-11-25(23)31-28/h3-15,24,31H,16-19H2,1-2H3/t24?,30-/m0/s1	C30H29N3O2	463.57	5	1	56.41	6	4	1	-0.8507	4.32421000000001	4.21	8.207	53.7317	139.292	3.5848	428.630474888025
Cond-003674	NPD3754	NPD3754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.722909838	C[C@H](NC(=O)Nc1cc(ccc1)c1cc2c(oc1=O)cccc2)C(=O)O	InChI=1S/C19H16N2O5/c1-11(17(22)23)20-19(25)21-14-7-4-6-12(9-14)15-10-13-5-2-3-8-16(13)26-18(15)24/h2-11H,1H3,(H,22,23)(H2,20,21,25)/t11-/m0/s1	C19H16N2O5	352.341	7	3	104.73	3	6	0	-0.7922	3.28317	2.78	4.005	41.7736	97.2742	2.523	317.890857401007
Cond-003675	NPD3755	NPD3755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.4069126484	CSCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O	InChI=1S/C17H18ClNO6S/c1-8-9-5-11(18)13(20)7-14(9)25-17(24)10(8)6-15(21)19-12(16(22)23)3-4-26-2/h5,7,12,20H,3-4,6H2,1-2H3,(H,19,21)(H,22,23)/t12-/m0/s1	C17H18ClNO6S	399.846	7	3	138.23	2	8	0	0.3311	3.00267	2.34	1.741	71.4992	102.7703	2.7236	345.978281272901
Cond-003676	NPD3757	NPD3757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.7437315098	COc1cc(C(=O)COc2ccc3C(=O)/C(=C/C4=Cc5ccccc5OC4)/Oc3c2)c(OC)cc1	InChI=1S/C28H22O7/c1-31-19-8-10-25(32-2)22(13-19)23(29)16-33-20-7-9-21-26(14-20)35-27(28(21)30)12-17-11-18-5-3-4-6-24(18)34-15-17/h3-14H,15-16H2,1-2H3/b27-12-	C28H22O7	470.47	7	0	80.29	5	7	0	-0.990499999999999	5.11316	3.77	4.899	58.1999	132.5195	3.3627	425.619358514597
Cond-003677	NPD3758	NPD3758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.7658470343	COC(=O)COc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1C	InChI=1S/C20H16O7/c1-11-14(24-9-18(21)23-2)6-4-13-19(22)17(27-20(11)13)8-12-3-5-15-16(7-12)26-10-25-15/h3-8H,9-10H2,1-2H3/b17-8-	C20H16O7	368.337	7	0	80.29	4	5	0	-0.4023	4.21958	2.89	3.199	47.7551	101.7235	2.5161	321.053775011663
Cond-003678	NPD3759	NPD3759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4455641178	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C1CN(C(=O)C1)c1cc2c(OCCO2)cc1)C(=O)O	InChI=1S/C21H27N3O7/c1-11(2)18(21(28)29)23-19(26)12(3)22-20(27)13-8-17(25)24(10-13)14-4-5-15-16(9-14)31-7-6-30-15/h4-5,9,11-13,18H,6-8,10H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)/t12-,13?,18-/m0/s1	C21H27N3O7	433.455	10	3	134.27	3	9	0	-2.2175	1.80257	2.67	0.167	81.9015	115.6292	3.151	399.86941636443
Cond-003679	NPD376	NPD376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.5458111933	CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(=O)C)OC(=O)C)CNC(=O)C	InChI=1S/C31H48N2O6/c1-18(17-32-19(2)34)7-10-28(37)39-27-16-26-24-9-8-22-15-23(38-21(4)36)11-13-30(22,5)25(24)12-14-31(26,6)29(27)33-20(3)35/h8,18,23-27,29H,7,9-17H2,1-6H3,(H,32,34)(H,33,35)/t18?,23?,24?,25?,26?,27?,29?,30-,31-/m0/s1	C31H48N2O6	544.723	8	2	110.8	4	12	1	-0.223199999999995	4.61978000000001	3.99	4.644	142.7509	150.1794	4.3789	556.858734415169
Cond-003680	NPD3760	NPD3760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2492945412	CSCC(NC(=O)Cc1c(C)c2cc3c(occ3C)cc2oc1=O)C(=O)O	InChI=1S/C19H19NO6S/c1-9-7-25-15-6-16-12(4-11(9)15)10(2)13(19(24)26-16)5-17(21)20-14(8-27-3)18(22)23/h4,6-7,14H,5,8H2,1-3H3,(H,20,21)(H,22,23)	C19H19NO6S	389.422	7	2	131.14	3	7	0	0.823	3.02779	2.67	2.001	67.5286	104.8905	2.7314	339.466265352602
Cond-003681	NPD3761	NPD3761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.507668031	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cc(C)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(OC)c(OC)c1	InChI=1S/C32H31N3O5/c1-17-14-18(2)27-21(15-17)32(30(38)34-27)31(20-8-5-6-9-22(20)33-29(31)37)26(23-10-7-13-35(23)32)28(36)19-11-12-24(39-3)25(16-19)40-4/h5-6,8-9,11-12,14-16,23,26H,7,10,13H2,1-4H3,(H,33,37)(H,34,38)/t23-,26-,31+,32+/m0/s1	C32H31N3O5	537.606	8	2	96.97	7	4	0	-1.754	4.92212000000001	4.1	3.715	71.2412	151.0909	3.9341	488.136665540642
Cond-003682	NPD3762	NPD3762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9222356332	Cc1ccc(CN2COc3c(C2)cc2c(C)c(Cc4ccccc4)c(=O)oc2c3C)cc1	InChI=1S/C28H27NO3/c1-18-9-11-22(12-10-18)15-29-16-23-14-24-19(2)25(13-21-7-5-4-6-8-21)28(30)32-27(24)20(3)26(23)31-17-29/h4-12,14H,13,15-17H2,1-3H3	C28H27NO3	425.519	4	0	38.77	5	4	1	2.2555	5.45841000000001	4.1	8.477	53.4528	128.338	3.3137	406.728129322119
Cond-003683	NPD3763	NPD3763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.43339367	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(OC)ccc1	InChI=1S/C36H32N4O4/c1-44-24-13-9-12-23(18-24)21-37-34(41)30(19-22-10-3-2-4-11-22)39-35(42)31-20-28-25-14-7-8-17-29(25)38-32(28)33-26-15-5-6-16-27(26)36(43)40(31)33/h2-18,30-31,33,38H,19-21H2,1H3,(H,37,41)(H,39,42)/t30-,31-,33?/m0/s1	C36H32N4O4	584.664	8	3	103.53	7	10	1	-2.6048	3.93939000000001	4.54	8.123	57.4268	169.4624	4.36680000000001	527.181302748513
Cond-003684	NPD3764	NPD3764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4565691838	COc1cc(OC)c(/C=C/2\Oc3c(C[NH+]4CCCC(C)C4)c([O-])ccc3C2=O)cc1OC	InChI=1S/C25H29NO6/c1-15-6-5-9-26(13-15)14-18-19(27)8-7-17-24(28)23(32-25(17)18)11-16-10-21(30-3)22(31-4)12-20(16)29-2/h7-8,10-12,15,27H,5-6,9,13-14H2,1-4H3/b23-11-	C25H29NO6	439.501	7	1	81.49	4	6	0	-2.6545	2.21868000000001	3.44	3.038	68.5941	121.2507	3.3047	412.376690349402
Cond-003685	NPD3765	NPD3765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.751491922	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC(C)C)c1cc(OC)ccc1	InChI=1S/C32H32N4O4/c1-19(2)15-16-33-30(37)23-12-5-7-14-26(23)36-31(38)27-18-24-22-11-4-6-13-25(22)34-28(24)29(35(27)32(36)39)20-9-8-10-21(17-20)40-3/h4-14,17,19,27,29,34H,15-16,18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1	C32H32N4O4	536.621	8	2	94.74	6	8	1	-1.7068	4.96918000000001	4.1	6.516	66.4191	156.3687	4.04080000000001	489.163199048247
Cond-003686	NPD3766	NPD3766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3964564173	Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CSCNC(=O)C)C(=O)O)c(=O)c2ccccc12	InChI=1S/C24H26N4O6S/c1-15(29)25-14-35-13-18(23(32)33)26-21(30)20(12-16-8-4-3-5-9-16)28-22(31)17-10-6-7-11-19(17)27(2)24(28)34/h3-11,18,20H,12-14H2,1-2H3,(H,25,29)(H,26,30)(H,32,33)/t18-,20-/m0/s1	C24H26N4O6S	498.551	10	3	161.42	3	12	1	-1.7925	1.93999	2.89	3.925	76.3581	134.2957	3.6063	451.027093004036
Cond-003687	NPD3767	NPD3767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.3604171193	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C21H28N4O6S/c1-12(2)10-16(18(27)23-15(20(29)30)8-9-32-3)22-17(26)11-25-19(28)13-6-4-5-7-14(13)24-21(25)31/h4-7,12,15-16H,8-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,31)(H,29,30)/t15-,16-/m0/s1	C21H28N4O6S	464.535	10	4	170.21	2	13	1	-1.5316	2.36168	2.56	2.406	88.0276	123.9344	3.4212	430.304973929636
Cond-003688	NPD3768	NPD3768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.138743519	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C33H29NO6S/c1-22-13-16-27(17-14-22)41(37,38)34-30(20-25-11-7-4-8-12-25)33(36)39-26-15-18-28-23(2)29(32(35)40-31(28)21-26)19-24-9-5-3-6-10-24/h3-18,21,30,34H,19-20H2,1-2H3	C33H29NO6S	567.651	7	1	107.15	5	10	1	0.603399999999999	6.21088000000001	4.21	10.943	55.3968	154.7277	4.18580000000001	516.641921807536
Cond-003689	NPD3769	NPD3769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8349524138	COc1cc(OC)c(/C=C/2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC	InChI=1S/C26H21ClO7/c1-30-21-13-24(32-3)23(31-2)10-16(21)11-25-26(29)19-9-8-18(12-22(19)34-25)33-14-20(28)15-4-6-17(27)7-5-15/h4-13H,14H2,1-3H3/b25-11-	C26H21ClO7	480.894	7	0	80.29	4	8	0	-0.4277	5.53017	3.44	4.869	55.7015	130.7735	3.3549	421.231374434896
Cond-003690	NPD377	NPD377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9648955452	CN1C(=O)N(C)C(=O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2c(C)ccs2)C1=O	InChI=1S/C24H28N4O4S/c1-15-7-8-33-19(15)10-24(21(30)25(2)23(32)26(3)22(24)31)14-27-11-16-9-17(13-27)18-5-4-6-20(29)28(18)12-16/h4-8,16-17H,9-14H2,1-3H3/t16-,17+/m1/s1	C24H28N4O4S	468.569	8	0	109.48	5	4	0	-0.228999999999996	1.67569	3.11	0.579	111.4388	124.708	3.4007	427.543098303714
Cond-003691	NPD3770	NPD3770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0353602604	COc1c(OC)c(OC)c(/C=C/2\Oc3c(C[NH+](C)Cc4ccccc4)c([O-])ccc3C2=O)cc1	InChI=1S/C27H27NO6/c1-28(15-17-8-6-5-7-9-17)16-20-21(29)12-11-19-24(30)23(34-26(19)20)14-18-10-13-22(31-2)27(33-4)25(18)32-3/h5-14,29H,15-16H2,1-4H3/b23-14-	C27H27NO6	461.506	7	1	81.49	4	8	0	-2.6648	2.27928	3.66	4.785	53.6799	128.4327	3.4575	428.159283498736
Cond-003692	NPD3771	NPD3771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.0431239038	CCOc1c(cc2OC(C)Cc2c1)C1CC(=O)N2CCc3cc(OC)c(OC)cc3C2=C1	InChI=1S/C26H29NO5/c1-5-31-23-11-18-8-15(2)32-22(18)14-20(23)17-9-21-19-13-25(30-4)24(29-3)10-16(19)6-7-27(21)26(28)12-17/h9-11,13-15,17H,5-8,12H2,1-4H3	C26H29NO5	435.512	6	0	57.23	5	5	0	-0.341899999999999	4.89097000000001	3.66	3.343	76.3962	125.945	3.2783	408.525989573908
Cond-003693	NPD3772	NPD3772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3434094383	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c2cc(ccc2)C(F)(F)F)c1=O	InChI=1S/C23H19F3N4O3/c1-29-10-9-15-14-7-2-3-8-16(14)27-18(15)19(29)17-20(31)28-22(33)30(21(17)32)13-6-4-5-12(11-13)23(24,25)26/h2-8,11,19,27,31H,9-10H2,1H3,(H,28,33)	C23H19F3N4O3	456.417	7	3	92.16	5	3	0	0.9772	4.27205	2.89	4.741	56.2273	120.1516	3.0047	374.077622069005
Cond-003694	NPD3773	NPD3773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.209665609	COc1ccc(CNC(=O)CCc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1OC	InChI=1S/C26H27NO6/c1-14-13-32-24-16(3)25-20(11-19(14)24)15(2)18(26(29)33-25)7-9-23(28)27-12-17-6-8-21(30-4)22(10-17)31-5/h6,8,10-11,13H,7,9,12H2,1-5H3,(H,27,28)	C26H27NO6	449.496	7	1	87	4	8	0	1.1278	4.50761000000001	3.55	3.148	68.4954	125.8357	3.3596	413.499757573669
Cond-003695	NPD3774	NPD3774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8522633545	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCc1c(F)cccc1)c1ccc(C)cc1	InChI=1S/C35H29FN4O3/c1-21-14-16-23(17-15-21)32-31-26(24-9-3-6-12-28(24)38-31)20-30-34(42)40(35(43)39(30)32)29-13-7-4-10-25(29)33(41)37-19-18-22-8-2-5-11-27(22)36/h2-17,30,32,38H,18-20H2,1H3,(H,37,41)/t30-,32?/m0/s1	C35H29FN4O3	572.628	7	2	85.51	7	7	1	-0.5626	5.32430000000001	4.43	8.861	52.7503	164.1057	4.18490000000001	507.162650272392
Cond-003696	NPD3776	NPD3776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8270392378	Fc1c(F)cc(cc1)N1COc2ccc3c(oc(=O)c4c3cccc4)c2C1	InChI=1S/C21H13F2NO3/c22-17-7-5-12(9-18(17)23)24-10-16-19(26-11-24)8-6-14-13-3-1-2-4-15(13)21(25)27-20(14)16/h1-9H,10-11H2	C21H13F2NO3	365.33	4	0	38.77	5	1	1	0.7445	5.78157	3.11	5.762	21.4999	102.834	2.4058	300.427813342464
Cond-003697	NPD3777	NPD3777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3836450631	CCCCCNC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1c(OC)ccc(OC)c1	InChI=1S/C25H27N3O3/c1-4-5-8-13-26-25(29)21-15-18-17-9-6-7-10-20(17)27-23(18)24(28-21)19-14-16(30-2)11-12-22(19)31-3/h6-7,9-12,14-15,27H,4-5,8,13H2,1-3H3,(H,26,29)	C25H27N3O3	417.5	6	2	76.24	4	9	1	-1.9599	5.66557000000001	3.55	5.266	44.7188	130.4177	3.2422	380.926613262452
Cond-003698	NPD3778	NPD3778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.843186061	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NCCC(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C25H23NO6/c1-14-17(8-9-22(27)26-11-10-23(28)29)25(30)32-20-13-21-19(12-18(14)20)24(15(2)31-21)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3,(H,26,27)(H,28,29)	C25H23NO6	433.453	7	2	105.84	4	8	0	0.1819	4.95530000000001	3.44	4.593	60.3606	126.6325	3.1757	393.567314247002
Cond-003699	NPD3779	NPD3779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6175333888	OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O	InChI=1S/C27H26N4O6/c32-19-12-10-18(11-13-19)15-22(26(35)36)29-25(34)21(14-17-6-2-1-3-7-17)30-27(37)31-16-24(33)28-20-8-4-5-9-23(20)31/h1-13,21-22,32H,14-16H2,(H,28,33)(H,29,34)(H,30,37)(H,35,36)/t21-,22-/m0/s1	C27H26N4O6	502.519	10	5	151.56	4	11	2	-2.4354	3.59187	3.33	5.237	56.5828	141.8368	3.67090000000001	455.876646721636
Cond-003700	NPD378	NPD378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6793896681	CCC(=O)CC(=O)[C@@]1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C	InChI=1S/C28H37FO6/c1-6-18(30)14-22(32)28(35-24(34)7-2)16(3)12-21-20-9-8-17-13-19(31)10-11-25(17,4)27(20,29)23(33)15-26(21,28)5/h10-11,13,16,20-21,23,33H,6-9,12,14-15H2,1-5H3/t16?,20?,21?,23?,25-,26-,27-,28-/m0/s1	C28H37FO6	488.588	6	1	97.74	4	7	0	0.0305000000000004	4.31977000000001	3.77	3.038	128.6868	129.6408	3.7313	486.408360270743
Cond-003701	NPD3780	NPD3780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6117658662	[C@H]12[C@H]3CO[C@H](O3)C(=O)[C@H]1[C@H]1N(C=Cc3c1cccc3)[C@H]2C(=O)c1ccc(F)cc1	InChI=1S/C23H18FNO4/c24-14-7-5-13(6-8-14)21(26)20-17-16-11-28-23(29-16)22(27)18(17)19-15-4-2-1-3-12(15)9-10-25(19)20/h1-10,16-20,23H,11H2/t16-,17+,18-,19+,20-,23-/m1/s1	C23H18FNO4	391.392	5	0	55.84	6	2	0	-0.955600000000001	2.47409	3.33	4.481	51.712	102.622	2.663	338.922450444453
Cond-003702	NPD3782	NPD3782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.202587259	COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C25H25NO5/c1-15-14-30-22-13-23-21(12-20(15)22)16(2)19(25(28)31-23)8-9-24(27)26-11-10-17-4-6-18(29-3)7-5-17/h4-7,12-14H,8-11H2,1-3H3,(H,26,27)	C25H25NO5	419.47	6	1	77.77	4	8	0	0.793199999999998	4.85299000000001	3.55	3.838	60.1293	121.2667	3.16	387.413546247241
Cond-003703	NPD3783	NPD3783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1634199918	CCC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C26H30N4O6/c1-4-15(2)21(25(34)35)29-22(31)16(3)27-23(32)20(14-17-10-6-5-7-11-17)30-24(33)18-12-8-9-13-19(18)28-26(30)36/h5-13,15-16,20-21H,4,14H2,1-3H3,(H,27,32)(H,28,36)(H,29,31)(H,34,35)/t15?,16-,20-,21-/m0/s1	C26H30N4O6	494.54	10	4	148.4	3	12	2	-2.1683	2.55098	3.22	5.602	76.0994	136.9535	3.72460000000001	467.110038198169
Cond-003704	NPD3784	NPD3784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1374810092	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC)c1c(C)cccc1	InChI=1S/C29H25N3O4/c1-3-36-28(34)18-12-14-19(15-13-18)31-27(33)24-16-22-21-10-6-7-11-23(21)30-25(22)26(32(24)29(31)35)20-9-5-4-8-17(20)2/h4-15,24,26,30H,3,16H2,1-2H3/t24-,26?/m0/s1	C29H25N3O4	479.526	7	1	82.71	6	5	1	-0.4131	4.38940000000001	3.88	6.801	51.5545	137.625	3.51830000000001	426.27848496248
Cond-003705	NPD3785	NPD3785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.1770797377	[C@@H]12C(Cc3ccccc3)NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C29H26ClN3O3/c1-17-14-20(30)16-21-25(17)31-28(36)29(21)24-23(22(32-29)15-19-10-6-3-7-11-19)26(34)33(27(24)35)13-12-18-8-4-2-5-9-18/h2-11,14,16,22-24,32H,12-13,15H2,1H3,(H,31,36)/t22?,23-,24+,29?/m1/s1	C29H26ClN3O3	499.988	6	2	78.51	6	5	1	-0.7223	4.12141	3.88	7.139	61.2157	139.2894	3.62500000000001	446.235784733153
Cond-003706	NPD3786	NPD3786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.6138613861	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(C2)c1ccccc1F	InChI=1S/C24H18FNO3/c1-15-23-17(13-26(14-28-23)21-10-6-5-9-20(21)25)11-19-18(12-22(27)29-24(15)19)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3	C24H18FNO3	387.403	4	0	38.77	5	2	1	1.0723	5.85598	3.55	7.153	35.1529	113.553	2.7678	343.611749668958
Cond-003707	NPD3787	NPD3787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1958456973	COc1c(OC)cc(cc1)C(=O)/C=C/1\NCCc2cc(OC)c(OC)cc12	InChI=1S/C21H23NO5/c1-24-18-6-5-14(10-19(18)25-2)17(23)12-16-15-11-21(27-4)20(26-3)9-13(15)7-8-22-16/h5-6,9-12,22H,7-8H2,1-4H3/b16-12-	C21H23NO5	369.411	6	1	66.02	3	6	0	-0.709899999999999	2.87618	3.11	3.141	56.6444	105.0657	2.791	346.758983846174
Cond-003708	NPD3788	NPD3788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.16871104	COc1c(OC)cc(CCNC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)cc1	InChI=1S/C27H31NO6/c1-16-19-13-18-8-10-27(2,3)34-22(18)15-23(19)33-26(30)20(16)14-25(29)28-11-9-17-6-7-21(31-4)24(12-17)32-5/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,28,29)	C27H31NO6	465.538	7	1	83.09	4	8	0	0.949099999999999	5.30166000000001	3.66	4.102	80.1628	134.8787	3.5435	444.332200900336
Cond-003709	NPD3789	NPD3789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.756174669	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C16H18N2O4S2/c1-23-7-6-11(16(21)22)17-13(19)12-8-24-15-10-5-3-2-4-9(10)14(20)18(12)15/h2-5,11-12,15H,6-8H2,1H3,(H,17,19)(H,21,22)/t11-,12-,15?/m0/s1	C16H18N2O4S2	366.455	6	2	137.31	3	7	0	-0.6727	1.47169	2.34	2.46	65.5451	96.629	2.5406	315.676559741246
Cond-003710	NPD379	NPD379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6776655652	O=C1NC(=O)/C(=C/NN2CCCCC2c2cnccc2)/C(=O)N1c1ccccc1	InChI=1S/C21H21N5O3/c27-19-17(20(28)26(21(29)24-19)16-8-2-1-3-9-16)14-23-25-12-5-4-10-18(25)15-7-6-11-22-13-15/h1-3,6-9,11,13-14,18,23H,4-5,10,12H2,(H,24,27,29)/b17-14-	C21H21N5O3	391.423	8	2	94.64	4	4	0	-2.4335	2.62617	2.89	3.062	51.2087	108.8394	2.8782	355.536195175319
Cond-003711	NPD3790	NPD3790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7227722772	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCn1c(O)nc2ccccc2c1=O	InChI=1S/C22H20N4O5/c27-19(9-10-26-20(28)15-6-2-4-8-17(15)25-22(26)31)24-18(21(29)30)11-13-12-23-16-7-3-1-5-14(13)16/h1-8,12,18,23H,9-11H2,(H,24,27)(H,25,31)(H,29,30)/t18-/m0/s1	C22H20N4O5	420.418	9	4	135.09	4	8	0	-1.5413	2.42627	2.89	2.911	51.3294	118.9198	2.9937	365.879414293341
Cond-003712	NPD3791	NPD3791	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6278296426	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NC3CCCC3)c1C)c2	InChI=1S/C21H23NO4/c1-12-11-25-18-10-19-17(9-16(12)18)13(2)15(21(24)26-19)7-8-20(23)22-14-5-3-4-6-14/h9-11,14H,3-8H2,1-2H3,(H,22,23)	C21H23NO4	353.412	5	1	68.54	4	5	0	-0.624600000000002	4.54429000000001	3.22	2.908	58.6938	101.9577	2.6667	328.248757145613
Cond-003713	NPD3792	NPD3792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.3672341045	COc1cc(OC)c(cc1OC)/C=C/1\Oc2c(C[NH+](C)C)c([O-])ccc2C1=O	InChI=1S/C21H23NO6/c1-22(2)11-14-15(23)7-6-13-20(24)19(28-21(13)14)9-12-8-17(26-4)18(27-5)10-16(12)25-3/h6-10,23H,11H2,1-5H3/b19-9-	C21H23NO6	385.41	7	1	81.49	3	6	0	-2.5741	1.04838	3	1.877	54.6644	104.9667	2.8497	355.549210546735
Cond-003714	NPD3793	NPD3793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.73394406	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(CCCc1ccccc1)C2=O	InChI=1S/C30H28ClN3O2/c1-30-28-27(23-11-5-6-12-25(23)32-28)24(21-13-15-22(31)16-14-21)18-34(30)26(35)19-33(29(30)36)17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16,24,32H,7,10,17-19H2,1H3/t24?,30-/m0/s1	C30H28ClN3O2	498.015	5	1	56.41	6	5	1	-1.2296	5.33969000000001	4.1	7.494	57.1704	145.279	3.7072	443.841542658458
Cond-003715	NPD3794	NPD3794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.24248662	COc1c(cccc1)C1CN2C(=O)CN(CC3CCCO3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C27H29N3O4/c1-27-25-24(19-10-3-5-11-21(19)28-25)20(18-9-4-6-12-22(18)33-2)15-30(27)23(31)16-29(26(27)32)14-17-8-7-13-34-17/h3-6,9-12,17,20,28H,7-8,13-16H2,1-2H3/t17?,20?,27-/m0/s1	C27H29N3O4	459.537	7	1	74.87	6	4	0	-2.569	3.24109000000001	3.66	3.261	66.646	131.032	3.4085	413.132350513947
Cond-003716	NPD3795	NPD3795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4157489523	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCc1ccco1	InChI=1S/C25H28N4O4/c1-15(2)13-20(22(30)26-14-16-7-6-12-33-16)29-23(31)25(3)21-18(10-11-28(25)24(29)32)17-8-4-5-9-19(17)27-21/h4-9,12,15,20,27H,10-11,13-14H2,1-3H3,(H,26,30)/t20-,25-/m0/s1	C25H28N4O4	448.514	8	2	98.65	5	7	0	-0.855700000000001	2.98488	3.33	3.345	71.1988	127.7117	3.3351	401.89360017118
Cond-003717	NPD3796	NPD3796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.321935926	CCc1ccccc1N1COc2c(C1)cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C	InChI=1S/C28H27NO3/c1-4-21-12-8-9-13-25(21)29-16-22-15-23-18(2)24(14-20-10-6-5-7-11-20)28(30)32-27(23)19(3)26(22)31-17-29/h5-13,15H,4,14,16-17H2,1-3H3	C28H27NO3	425.519	4	0	38.77	5	4	1	1.9088	6.86378000000001	4.1	8.47	53.589	132.192	3.3137	406.728129322119
Cond-003718	NPD3797	NPD3797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6595621285	CC(C)[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1)C(=O)O	InChI=1S/C22H31N3O4/c1-15(2)18(20(27)28)24-21(29)22(16-7-4-3-5-8-16)10-13-25(14-11-22)19(26)17-9-6-12-23-17/h3-5,7-8,15,17-18,23H,6,9-14H2,1-2H3,(H,24,29)(H,27,28)/t17-,18+/m0/s1	C22H31N3O4	401.499	7	3	98.74	3	8	0	-2.0709	1.75809	3.11	3.124	77.7996	112.6062	3.1588	393.431179589414
Cond-003719	NPD3798	NPD3798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0075712293	COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2ccc(cc2)C(C)C)cc1	InChI=1S/C30H29N3O2/c1-19(2)21-10-12-22(13-11-21)28-29-25(24-6-4-5-7-26(24)32-29)18-27(33-28)30(34)31-17-16-20-8-14-23(35-3)15-9-20/h4-15,18-19,32H,16-17H2,1-3H3,(H,31,34)	C30H29N3O2	463.57	5	2	67.01	5	8	1	-0.2669	6.83287000000001	4.21	8.457	41.4891	148.5757	3.65040000000001	427.450474888025
Cond-003720	NPD3799	NPD3799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0075712293	CCCC(NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C22H27NO7/c1-5-6-14(21(26)27)23-17(24)11-28-16-10-15-13(7-8-22(3,4)30-15)20-19(16)12(2)9-18(25)29-20/h9-10,14H,5-8,11H2,1-4H3,(H,23,24)(H,26,27)	C22H27NO7	417.452	8	2	111.16	3	8	0	-0.437900000000002	3.91356000000001	3	2.748	81.4081	115.0285	3.0923	395.171880573963
Cond-003721	NPD38	NPD38	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.7139593783	CCC(O)c1cc(OC)c(Oc2c3c4c(onc4cc2)c2c(cccc2)C3=O)cc1	InChI=1S/C24H19NO5/c1-3-17(26)13-8-10-18(20(12-13)28-2)29-19-11-9-16-21-22(19)23(27)14-6-4-5-7-15(14)24(21)30-25-16/h4-12,17,26H,3H2,1-2H3	C24H19NO5	401.411	6	1	81.79	5	5	0	-1.3712	5.86517	3.44	4.822	30.6728	117.4258	2.8675	344.224644219774
Cond-003722	NPD380	NPD380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0099564406	Cc1c(c(=O)c2c(o1)cc(OCC(=O)O)cc2)c1ccc2OCCCOc2c1	InChI=1S/C21H18O7/c1-12-20(13-3-6-16-18(9-13)26-8-2-7-25-16)21(24)15-5-4-14(10-17(15)28-12)27-11-19(22)23/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,23)	C21H18O7	382.363	7	1	91.29	4	4	0	-1.3217	4.87115	3	2.835	50.0984	107.5383	2.657	338.349759637529
Cond-003723	NPD3800	NPD3800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.7333140223	O=C(NCCc1c[nH]c2c1cccc2)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C29H22N4O3/c34-29(30-12-11-18-15-31-22-7-3-1-5-19(18)22)24-14-21-20-6-2-4-8-23(20)32-28(21)27(33-24)17-9-10-25-26(13-17)36-16-35-25/h1-10,13-15,31-32H,11-12,16H2,(H,30,34)	C29H22N4O3	474.51	7	3	92.03	7	6	1	-1.5111	6.33495000000001	3.88	5.561	30.6776	149.4487	3.4078	391.692101068486
Cond-003724	NPD3801	NPD3801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.8553349443	CCC(=O)Oc1ccc2C(=O)/C(=C/c3c(OC)c(OC)ccc3)/Oc2c1	InChI=1S/C20H18O6/c1-4-18(21)25-13-8-9-14-16(11-13)26-17(19(14)22)10-12-6-5-7-15(23-2)20(12)24-3/h5-11H,4H2,1-3H3/b17-10-	C20H18O6	354.353	6	0	71.06	3	6	0	-0.505500000000001	4.68816	3	3.931	47.9826	101.1525	2.566	324.620007011902
Cond-003725	NPD3802	NPD3802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.1176586617	[C@@H]12C(CCSC)NC3(C(=O)Nc4c3cc(CC)cc4)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C26H29N3O3S/c1-3-16-9-10-19-18(15-16)26(25(32)27-19)22-21(20(28-26)12-14-33-2)23(30)29(24(22)31)13-11-17-7-5-4-6-8-17/h4-10,15,20-22,28H,3,11-14H2,1-2H3,(H,27,32)/t20?,21-,22+,26?/m1/s1	C26H29N3O3S	463.592	6	2	103.81	5	7	1	-1.4476	3.51279	3.55	5.74	76.6971	132.8704	3.481	428.811621945919
Cond-003726	NPD3803	NPD3803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7659285591	COc1cc(CNC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)ccc1	InChI=1S/C24H23NO5/c1-13-8-19-22(23-21(13)14(2)12-29-23)15(3)18(24(27)30-19)10-20(26)25-11-16-6-5-7-17(9-16)28-4/h5-9,12H,10-11H2,1-4H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	6	0	1.1172	4.10891	3.44	3.634	56.3142	114.6667	3.0191	370.117561621374
Cond-003727	NPD3804	NPD3804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4493531853	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCc3ccc(C)cc3)c(C)c1c2	InChI=1S/C25H25NO4/c1-14-5-7-18(8-6-14)13-26-24(27)10-9-19-16(3)21-11-20-15(2)17(4)29-22(20)12-23(21)30-25(19)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,26,27)	C25H25NO4	403.47	5	1	68.54	4	6	1	1.6709	4.49923000000001	3.66	5.377	59.5963	118.8007	3.1013	378.62331954668
Cond-003728	NPD3805	NPD3805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.5848359765	Clc1ccc(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc3c(OCO3)cc2)cc1	InChI=1S/C26H18ClN3O3/c27-17-8-5-15(6-9-17)13-28-26(31)21-12-19-18-3-1-2-4-20(18)29-25(19)24(30-21)16-7-10-22-23(11-16)33-14-32-22/h1-12,29H,13-14H2,(H,28,31)	C26H18ClN3O3	455.892	6	2	76.24	6	5	1	-0.602	6.20176	3.55	5.645	28.5414	135.5057	3.15930000000001	369.911372154752
Cond-003729	NPD3806	NPD3806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1282718656	COc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C25H21NO4/c1-16-24-18(14-26(15-29-24)19-8-10-20(28-2)11-9-19)12-22-21(13-23(27)30-25(16)22)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3	C25H21NO4	399.439	5	0	48	5	3	1	0.5408	5.72548	3.66	6.75	41.5962	120.147	2.9497	363.63040214508
Cond-003730	NPD3807	NPD3807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6746041579	Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1	InChI=1S/C28H28N4O2/c1-18-10-12-22(13-11-18)31-28(34)26(15-21-17-29-24-9-5-4-8-23(21)24)32-27(33)25-14-19-6-2-3-7-20(19)16-30-25/h2-13,17,25-26,29-30H,14-16H2,1H3,(H,31,34)(H,32,33)/t25-,26-/m0/s1	C28H28N4O2	452.548	6	4	86.02	5	8	1	-1.6462	3.99419000000001	3.88	6.272	48.0737	137.6221	3.51140000000001	417.391724545258
Cond-003731	NPD3808	NPD3808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.1124216369	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)N3CCC(CC3)C(=O)O)c(C)c1c2	InChI=1S/C22H23NO6/c1-11-13(3)28-18-10-19-16(8-15(11)18)12(2)17(22(27)29-19)9-20(24)23-6-4-14(5-7-23)21(25)26/h8,10,14H,4-7,9H2,1-3H3,(H,25,26)	C22H23NO6	397.421	7	1	97.05	4	4	0	0.0175999999999992	3.42741	3.11	2.035	70.6051	109.9508	2.882	360.488736471802
Cond-003732	NPD3809	NPD3809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8206814106	O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC(=O)N1C1OC(=O)c2c1cccc2	InChI=1S/C26H22N2O5/c29-23-15-14-22(28(23)25-20-8-4-5-9-21(20)26(31)33-25)24(30)27-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17/h1-13,22,25H,14-16H2,(H,27,30)/t22-,25?/m0/s1	C26H22N2O5	442.463	7	1	84.94	5	7	1	-1.7813	4.00689000000001	3.55	6.12	41.4671	122.3087	3.2061	398.076914978874
Cond-003733	NPD381	NPD381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.354379449	COC(=O)/C=C/c1c(C)[nH]c(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O	InChI=1S/C35H30N2O11/c1-21-25(18-19-27(38)44-2)30(39)37(35(43)36-21)31-29(48-34(42)24-16-10-5-11-17-24)28(47-33(41)23-14-8-4-9-15-23)26(46-31)20-45-32(40)22-12-6-3-7-13-22/h3-19,26,28-29,31H,20H2,1-2H3,(H,36,43)/b19-18+/t26-,28-,29-,31-/m1/s1	C35H30N2O11	654.62	13	1	163.84	5	14	3	-0.5488	3.66077	3.88	7.845	89.8523	168.6132	4.61140000000001	593.29984331104
Cond-003734	NPD3810	NPD3810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.9919551075	COc1c(Cl)cc2c(C)c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1	InChI=1S/C17H17ClN2O7/c1-8-9-3-11(18)13(26-2)5-12(9)27-17(25)10(8)4-14(21)19-6-15(22)20-7-16(23)24/h3,5H,4,6-7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)	C17H17ClN2O7	396.779	9	3	131.03	2	9	0	-0.558200000000001	1.48288	2.23	-0.0650000000000002	68.3791	99.8092	2.6756	344.619785423229
Cond-003735	NPD3811	NPD3811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.6141879278	CC(C)C[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C29H31NO6/c1-15(2)13-23(28(32)33)30-24(31)12-11-20-16(3)21-14-22-25(19-9-7-6-8-10-19)18(5)35-27(22)17(4)26(21)36-29(20)34/h6-10,14-15,23H,11-13H2,1-5H3,(H,30,31)(H,32,33)/t23-/m0/s1	C29H31NO6	489.56	7	2	105.84	4	9	1	1.4489	5.82521000000001	3.88	6.508	78.6437	142.9695	3.7393	462.751252750469
Cond-003736	NPD3812	NPD3812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.2899558259	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C26H30N4O6/c1-15(2)13-20(22(31)27-16(3)25(34)35)28-23(32)21(14-17-9-5-4-6-10-17)30-24(33)18-11-7-8-12-19(18)29-26(30)36/h4-12,15-16,20-21H,13-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16-,20-,21-/m0/s1	C26H30N4O6	494.54	10	4	148.4	3	12	2	-1.2365	2.55098	3.22	5.813	77.4734	136.9535	3.72460000000001	467.110038198169
Cond-003737	NPD3814	NPD3814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.8515251381	Cc1c(CC(=O)N(CC(=O)O)CC(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C22H21NO8/c1-11-13-6-15-12-4-2-3-5-16(12)30-18(15)8-17(13)31-22(29)14(11)7-19(24)23(9-20(25)26)10-21(27)28/h6,8H,2-5,7,9-10H2,1H3,(H,25,26)(H,27,28)	C22H21NO8	427.404	9	2	134.35	4	7	0	-1.2678	2.87006	2.89	1.47	71.985	113.9586	2.9564	375.432731172124
Cond-003738	NPD3815	NPD3815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5839128076	CCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C25H22FNO6/c1-4-20(24(29)30)27-21(28)10-17-12(2)16-9-18-19(14-5-7-15(26)8-6-14)11-32-22(18)13(3)23(16)33-25(17)31/h5-9,11,20H,4,10H2,1-3H3,(H,27,28)(H,29,30)	C25H22FNO6	451.444	7	2	105.84	4	7	0	0.361499999999999	4.92929000000001	3.33	3.669	59.009	123.0775	3.1934	399.634873097308
Cond-003739	NPD3816	NPD3816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	65.342817625	CCC(C)[C@H](NC(=O)Nc1cccc(c1)c1nc2c(o1)cccc2)C(=O)OC	InChI=1S/C21H23N3O4/c1-4-13(2)18(20(25)27-3)24-21(26)22-15-9-7-8-14(12-15)19-23-16-10-5-6-11-17(16)28-19/h5-13,18H,4H2,1-3H3,(H2,22,24,26)/t13?,18-/m0/s1	C21H23N3O4	381.425	7	2	93.46	3	9	0	-1.031	5.49157	3	4.612	44.2185	112.2694	2.8889	346.425818861146
Cond-003740	NPD3817	NPD3817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6078622166	CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)c3ccc(OC)cc3)ccc2c1=O	InChI=1S/C27H24O7/c1-4-31-23-7-5-6-8-24(23)34-27-17(2)33-25-15-20(13-14-21(25)26(27)29)32-16-22(28)18-9-11-19(30-3)12-10-18/h5-15H,4,16H2,1-3H3	C27H24O7	460.475	7	0	80.29	4	9	1	-1.0312	6.13736	3.66	5.766	53.7432	132.0325	3.3734	423.31629129033
Cond-003741	NPD3818	NPD3818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9326000468	COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)O)c(=O)oc2c1C	InChI=1S/C18H21NO6S/c1-9-11-5-6-14(24-3)10(2)16(11)25-18(23)12(9)7-15(20)19-13(8-26-4)17(21)22/h5-6,13H,7-8H2,1-4H3,(H,19,20)(H,21,22)/t13-/m0/s1	C18H21NO6S	379.427	7	2	127.23	2	8	0	0.925300000000001	2.84569	2.56	1.918	73.2253	103.9975	2.7421	348.063198128335
Cond-003742	NPD3819	NPD3819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7966127061	COc1c(C)c2c(cc1)c(C)c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)NCCCCCC(=O)O)c(=O)o2	InChI=1S/C26H36N4O8/c1-15-17-10-11-20(37-3)16(2)23(17)38-25(35)18(15)14-21(31)30-19(8-7-13-29-26(27)36)24(34)28-12-6-4-5-9-22(32)33/h10-11,19H,4-9,12-14H2,1-3H3,(H,28,34)(H,30,31)(H,32,33)(H3,27,29,36)/t19-/m0/s1	C26H36N4O8	532.586	12	6	186.15	2	18	1	-2.4237	2.7905	3	0.624	100.9386	144.9753	4.0366	513.219867701692
Cond-003743	NPD382	NPD382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.6633663366	OCC[NH2+]CCO.[O-]C(=O)COc1cc2c(cc1)c(=O)c(co2)c1cc2c(OCCO2)cc1	InChI=1S/C19H14O7.C4H11NO2/c20-18(21)10-25-12-2-3-13-16(8-12)26-9-14(19(13)22)11-1-4-15-17(7-11)24-6-5-23-15;6-3-1-5-2-4-7/h1-4,7-9H,5-6,10H2,(H,20,21);5-7H,1-4H2	C23H25NO9	459.446	7	0	94.12	4	4	0	-2.2252	2.75625	2.78	1.76	39.0905	95.6755	2.3537	302.439561035396
Cond-003744	NPD3820	NPD3820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.0643581163	CCOc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2c(C)cccc2)c1	InChI=1S/C27H24O5/c1-5-30-21-12-10-19(11-13-21)20-14-23(28)25-17(3)31-18(4)26(25)24(15-20)32-27(29)22-9-7-6-8-16(22)2/h6-15H,5H2,1-4H3	C27H24O5	428.476	5	0	65.74	4	6	1	1.3971	4.87864000000001	3.88	7.035	60.5032	122.9735	3.256	405.735837889208
Cond-003745	NPD3821	NPD3821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6145550547	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCOC)c1ccc(F)cc1	InChI=1S/C29H25FN4O4/c1-38-15-14-31-27(35)20-7-3-5-9-23(20)34-28(36)24-16-21-19-6-2-4-8-22(19)32-25(21)26(33(24)29(34)37)17-10-12-18(30)13-11-17/h2-13,24,26,32H,14-16H2,1H3,(H,31,35)/t24-,26?/m0/s1	C29H25FN4O4	512.532	8	2	94.74	6	7	0	-1.5004	3.69998	3.66	4.871	54.8244	142.1957	3.63580000000001	443.342804020953
Cond-003746	NPD3822	NPD3822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5325796905	COc1ccc(cc1OC)c1c2n(ccc3cc(OC)c(OC)cc23)c(C(=O)C(=O)N(CC=C)CC=C)c1c1ccccc1	InChI=1S/C36H34N2O6/c1-7-17-37(18-8-2)36(40)35(39)34-31(23-12-10-9-11-13-23)32(25-14-15-27(41-3)28(21-25)42-4)33-26-22-30(44-6)29(43-5)20-24(26)16-19-38(33)34/h7-16,19-22H,1-2,17-18H2,3-6H3	C36H34N2O6	590.665	8	0	78.71	5	13	2	0.345599999999999	6.76177	4.54	7.141	74.6675	177.537	4.5018	547.481153134902
Cond-003747	NPD3823	NPD3823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4131774917	Cc1c2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C30H24ClNO6/c1-16-21-13-23-24(19-8-10-20(31)11-9-19)15-37-27(23)17(2)28(21)38-30(36)22(16)14-26(33)32-25(29(34)35)12-18-6-4-3-5-7-18/h3-11,13,15,25H,12,14H2,1-2H3,(H,32,33)(H,34,35)/t25-/m0/s1	C30H24ClNO6	529.968	7	2	105.84	5	8	1	0.925199999999999	6.27629000000001	3.88	6.713	59.8072	147.9845	3.76500000000001	464.092470343569
Cond-003748	NPD3824	NPD3824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9719082044	COc1ccc(cc1OC)c1c2n(ccc3cc(OC)c(OC)cc23)c(C(=O)C(=O)NCCCN(C)C)c1c1ccccc1	InChI=1S/C35H37N3O6/c1-37(2)17-10-16-36-35(40)34(39)33-30(22-11-8-7-9-12-22)31(24-13-14-26(41-3)27(20-24)42-4)32-25-21-29(44-6)28(43-5)19-23(25)15-18-38(32)33/h7-9,11-15,18-21H,10,16-17H2,1-6H3,(H,36,40)	C35H37N3O6	595.685	9	1	90.74	5	13	2	-1.1396	6.44738	4.32	5.98	71.5761	178.5462	4.5467	546.454846118802
Cond-003749	NPD3825	NPD3825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.628794493	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c1c2	InChI=1S/C26H34N2O4/c1-14-16(3)31-21-11-22-20(10-19(14)21)15(2)18(24(30)32-22)8-9-23(29)27-17-12-25(4,5)28-26(6,7)13-17/h10-11,17,28H,8-9,12-13H2,1-7H3,(H,27,29)	C26H34N2O4	438.559	6	2	80.57	4	5	0	2.2459	4.91971000000001	3.66	4.057	92.5195	130.0864	3.471	425.725440483114
Cond-003750	NPD3826	NPD3826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5351586808	Cc1c(Cc2ccccc2)c(=O)oc2c3CN(Cc4c(F)cccc4)COc3ccc12	InChI=1S/C26H22FNO3/c1-17-20-11-12-24-22(15-28(16-30-24)14-19-9-5-6-10-23(19)27)25(20)31-26(29)21(17)13-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3	C26H22FNO3	415.456	4	0	38.77	5	4	1	1.4512	5.54147000000001	3.77	7.579	43.3211	121.016	3.0496	378.203718920692
Cond-003751	NPD3827	NPD3827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.3969391942	CCC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C25H26N4O5/c1-3-14(2)21(24(32)33)28-22(30)20(12-15-13-26-18-10-6-4-8-16(15)18)29-23(31)17-9-5-7-11-19(17)27-25(29)34/h4-11,13-14,20-21,26H,3,12H2,1-2H3,(H,27,34)(H,28,30)(H,32,33)/t14?,20-,21+/m1/s1	C25H26N4O5	462.498	9	4	131.6	4	9	0	-2.4013	4.13967000000001	3.22	3.916	61.7015	131.4017	3.41640000000001	417.767368170941
Cond-003752	NPD3828	NPD3828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.452962184	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1CCCCC1	InChI=1S/C31H36N4O3/c1-18(2)16-25(29(36)32-19-10-4-3-5-11-19)34-30(37)26-17-23-20-12-8-9-15-24(20)33-27(23)28-21-13-6-7-14-22(21)31(38)35(26)28/h6-9,12-15,18-19,25-26,28,33H,3-5,10-11,16-17H2,1-2H3,(H,32,36)(H,34,37)/t25-,26-,28?/m0/s1	C31H36N4O3	512.643	7	3	94.3	6	8	1	-3.2889	4.20619000000001	4.1	6.29	77.2089	149.7024	3.9702	481.88636382422
Cond-003753	NPD3829	NPD3829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3214638971	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCC3CCCO3)c12	InChI=1S/C23H29NO6/c1-4-14-10-20(26)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(25)24-12-15-6-5-9-27-15/h10-11,15H,4-9,12-13H2,1-3H3,(H,24,25)	C23H29NO6	415.479	7	1	83.09	4	7	0	-0.6087	4.22936000000001	3.22	2.73	84.2571	117.1547	3.1089	393.957638499269
Cond-003754	NPD383	NPD383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.8910891089	CCc1cc2c(oc(C)c(c2=O)c2cc3c(OCCO3)cc2)cc1OCC(=O)O	InChI=1S/C22H20O7/c1-3-13-8-15-18(10-17(13)28-11-20(23)24)29-12(2)21(22(15)25)14-4-5-16-19(9-14)27-7-6-26-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,23,24)	C22H20O7	396.39	7	1	91.29	4	5	0	-0.726799999999998	5.04345	3.11	3.158	57.5373	112.2993	2.7979	355.645744263396
Cond-003755	NPD3830	NPD3830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0737073159	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)NCc3ncccc3)c(C)c1c2	InChI=1S/C24H24N2O4/c1-13-16(4)29-22-15(3)23-20(11-19(13)22)14(2)18(24(28)30-23)8-9-21(27)26-12-17-7-5-6-10-25-17/h5-7,10-11H,8-9,12H2,1-4H3,(H,26,27)	C24H24N2O4	404.458	6	1	81.43	4	6	0	1.6709	4.35413000000001	3.44	3.522	59.5963	117.9027	3.0602	372.32409512898
Cond-003756	NPD3831	NPD3831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7546940954	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOC)c1ccc(C)cc1	InChI=1S/C31H30N4O4/c1-19-12-14-20(15-13-19)28-27-23(21-8-3-5-10-24(21)33-27)18-26-30(37)35(31(38)34(26)28)25-11-6-4-9-22(25)29(36)32-16-7-17-39-2/h3-6,8-15,26,28,33H,7,16-18H2,1-2H3,(H,32,36)/t26-,28?/m0/s1	C31H30N4O4	522.594	8	2	94.74	6	8	1	-1.6261	3.97900000000001	3.99	6.226	62.3656	150.4947	3.89990000000001	471.867214422381
Cond-003757	NPD3834	NPD3834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5989034981	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCOC)c1ccc(C)cc1	InChI=1S/C30H28N4O4/c1-18-11-13-19(14-12-18)27-26-22(20-7-3-5-9-23(20)32-26)17-25-29(36)34(30(37)33(25)27)24-10-6-4-8-21(24)28(35)31-15-16-38-2/h3-14,25,27,32H,15-17H2,1-2H3,(H,31,35)/t25-,27?/m0/s1	C30H28N4O4	508.568	8	2	94.74	6	7	1	-1.3381	3.58890000000001	3.88	5.868	59.454	145.8777	3.75900000000001	454.571229796514
Cond-003758	NPD3835	NPD3835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.1112076665	CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(=O)N)C(=O)O	InChI=1S/C29H36N6O7/c1-17(2)15-22(24(36)32-21(27(39)40)13-8-14-31-28(30)41)33-25(37)23(16-18-9-4-3-5-10-18)35-26(38)19-11-6-7-12-20(19)34-29(35)42/h3-7,9-12,17,21-23H,8,13-16H2,1-2H3,(H,32,36)(H,33,37)(H,34,42)(H,39,40)(H3,30,31,41)/t21-,22-,23+/m0/s1	C29H36N6O7	580.632	13	7	200.03	3	17	3	-3.0331	2.03248	3.22	4.141	91.0178	156.4335	4.3626	547.145280491864
Cond-003759	NPD3836	NPD3836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.3418202176	CCc1cc(=O)oc2c(C)c(OC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)ccc12	InChI=1S/C28H25NO6/c1-3-20-16-24(30)35-26-18(2)23(15-14-22(20)26)34-27(31)25(21-12-8-5-9-13-21)29-28(32)33-17-19-10-6-4-7-11-19/h4-16,25H,3,17H2,1-2H3,(H,29,32)	C28H25NO6	471.501	7	1	90.93	4	10	1	0.702699999999999	5.42699000000001	3.77	8.172	54.2872	133.6007	3.51240000000001	440.182350723002
Cond-003760	NPD3837	NPD3837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.606435705	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(C)cc1	InChI=1S/C34H27ClN4O3/c1-20-6-10-22(11-7-20)31-30-27(26-4-2-3-5-28(26)37-30)18-29-33(41)38(34(42)39(29)31)25-16-12-23(13-17-25)32(40)36-19-21-8-14-24(35)15-9-21/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O3	575.056	7	2	85.51	7	6	1	-0.5536	5.45660000000001	4.32	8.218	53.0416	163.5347	4.14870000000001	499.010174566653
Cond-003761	NPD3838	NPD3838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.4178192966	OC(=O)CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C24H22N4O7/c29-20(30)10-9-18(23(33)34)26-21(31)19(11-13-12-25-16-7-3-1-5-14(13)16)28-22(32)15-6-2-4-8-17(15)27-24(28)35/h1-8,12,18-19,25H,9-11H2,(H,26,31)(H,27,35)(H,29,30)(H,33,34)/t18-,19+/m0/s1	C24H22N4O7	478.454	11	5	168.9	4	10	1	-2.791	2.95837	2.89	2.167	59.036	128.8165	3.34990000000001	415.415378245397
Cond-003762	NPD3839	NPD3839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.600099231	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(=O)O)c4ccccc4)c3)C2=O)c(OC)c1	InChI=1S/C27H23NO8/c1-33-18-9-8-17(21(13-18)34-2)12-23-26(30)20-11-10-19(14-22(20)36-23)35-15-24(29)28-25(27(31)32)16-6-4-3-5-7-16/h3-14,25H,15H2,1-2H3,(H,28,29)(H,31,32)/b23-12-/t25-/m1/s1	C27H23NO8	489.473	9	2	120.39	4	10	1	-1.8881	4.35256	3.44	5.022	55.4077	134.905	3.4889	440.466819498258
Cond-003763	NPD384	NPD384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0763209393	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC	InChI=1S/C30H50O2/c1-5-7-8-9-10-11-12-22-14-16-26-25-15-13-23-21-24(32-28(31)6-2)17-19-30(23,4)27(25)18-20-29(22,26)3/h13,22,24-27H,5-12,14-21H2,1-4H3/t22?,24-,25?,26?,27?,29+,30-/m0/s1	C30H50O2	442.717	2	0	26.3	4	10	1	-0.612299999999997	8.79788	4.54	11.633	121.7813	136.33	3.9326	490.317698673126
Cond-003764	NPD3840	NPD3840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6820116433	NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O)C(=O)O	InChI=1S/C22H23N5O6/c23-18(28)11-16(21(31)32)25-20(30)15(10-13-6-2-1-3-7-13)26-22(33)27-12-19(29)24-14-8-4-5-9-17(14)27/h1-9,15-16H,10-12H2,(H2,23,28)(H,24,29)(H,25,30)(H,26,33)(H,31,32)/t15-,16-/m0/s1	C22H23N5O6	453.448	11	6	174.42	3	11	2	-2.6375	1.51897	2.67	2.379	61.1435	123.8374	3.2608	408.922859902869
Cond-003765	NPD3841	NPD3841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5222551929	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCCOC)c12	InChI=1S/C22H29NO6/c1-5-14-11-19(25)28-21-15-7-8-22(2,3)29-16(15)12-17(20(14)21)27-13-18(24)23-9-6-10-26-4/h11-12H,5-10,13H2,1-4H3,(H,23,24)	C22H29NO6	403.469	7	1	83.09	3	9	0	-0.168	4.08686000000001	3.11	2.545	83.6443	114.6737	3.0766	389.018112574202
Cond-003766	NPD3842	NPD3842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4334093445	CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C22H33N3O4/c1-14(2)19(23)21(27)24-13-16-8-10-17(11-9-16)20(26)25-18(22(28)29)12-15-6-4-3-5-7-15/h3-7,14,16-19H,8-13,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17-,18-,19-/m0/s1	C22H33N3O4	403.515	7	5	121.52	2	11	1	-1.355	1.93829	3.11	1.448	81.047	114.2266	3.2674	405.787638290214
Cond-003767	NPD3844	NPD3844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1776909934	OC(=O)[C@H](Cc1ccccc1)NC(=O)C1CN(C(=O)C1)c1cc2c(OCO2)cc1	InChI=1S/C21H20N2O6/c24-19-9-14(11-23(19)15-6-7-17-18(10-15)29-12-28-17)20(25)22-16(21(26)27)8-13-4-2-1-3-5-13/h1-7,10,14,16H,8-9,11-12H2,(H,22,25)(H,26,27)/t14?,16-/m0/s1	C21H20N2O6	396.393	8	2	105.17	4	7	0	-2.0051	2.84207	2.89	3.216	50.6456	108.4655	2.7979	351.553053353302
Cond-003768	NPD3845	NPD3845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.184255758	CCn1c2c(cccc2)c2c1ccc(c2)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccc(OC)cc1	InChI=1S/C32H26N2O4/c1-3-34-28-7-5-4-6-23(28)26-16-21(10-14-29(26)34)33-18-27-30(37-19-33)15-13-24-25(17-31(35)38-32(24)27)20-8-11-22(36-2)12-9-20/h4-17H,3,18-19H2,1-2H3	C32H26N2O4	502.56	6	0	52.93	7	4	1	0.2647	8.23045	4.32	7.316	48.9826	156.224	3.6896	441.276761230314
Cond-003769	NPD3846	NPD3846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.162738774	OC(=O)C(Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C24H18ClNO6/c25-15-7-5-14(6-8-15)11-20(23(28)29)26-22(27)13-31-16-9-10-18-17-3-1-2-4-19(17)24(30)32-21(18)12-16/h1-10,12,20H,11,13H2,(H,26,27)(H,28,29)	C24H18ClNO6	451.856	7	2	101.93	4	8	1	-0.672	4.51358	3.22	5.429	40.9374	123.242	3.1142	388.845938690768
Cond-003770	NPD3847	NPD3847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4451373126	Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)c(C)cc3)ccc12	InChI=1S/C19H16ClNO4/c1-11-3-4-13(8-16(11)20)21-18(22)10-24-14-5-6-15-12(2)7-19(23)25-17(15)9-14/h3-9H,10H2,1-2H3,(H,21,22)	C19H16ClNO4	357.788	5	1	64.63	3	5	0	1.112	4.85988	2.89	3.825	45.5575	99.4297	2.5299	315.951396963512
Cond-003771	NPD3848	NPD3848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0910539948	CCc1ccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C25H21NO4/c1-2-17-8-10-19(11-9-17)26-24(27)16-29-20-12-13-21-22(18-6-4-3-5-7-18)15-25(28)30-23(21)14-20/h3-15H,2,16H2,1H3,(H,26,27)	C25H21NO4	399.439	5	1	64.63	4	7	1	-0.609400000000001	5.76926	3.66	7.888	39.2882	120.0277	3.0153	373.35040214508
Cond-003772	NPD3849	NPD3849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2997032641	COc1cc(/C=C/2\Oc3cc(OCC(=O)O)ccc3C2=O)cc(OC)c1OC	InChI=1S/C20H18O8/c1-24-16-7-11(8-17(25-2)20(16)26-3)6-15-19(23)13-5-4-12(9-14(13)28-15)27-10-18(21)22/h4-9H,10H2,1-3H3,(H,21,22)/b15-6-	C20H18O8	386.352	8	1	100.52	3	7	0	-1.148	3.84476	2.78	2.395	51.9592	104.9093	2.6834	342.200460413024
Cond-003773	NPD385	NPD385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5980087119	[C@@H](NC(=O)OCc1ccccc1)(C(C)CC)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C30H29NO7/c1-4-19(2)26(31-30(34)35-18-21-11-7-5-8-12-21)29(33)38-23-15-16-24-25(17-23)36-20(3)28(27(24)32)37-22-13-9-6-10-14-22/h5-17,19,26H,4,18H2,1-3H3,(H,31,34)/t19?,26-/m1/s1	C30H29NO7	515.554	8	1	100.16	4	12	2	-0.982199999999999	6.00496000000001	3.88	8.904	63.7558	145.7612	3.85290000000001	483.564546675297
Cond-003774	NPD3852	NPD3852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4994894274	Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)c(=O)c2ccccc12	InChI=1S/C23H23N3O5/c1-24-17-11-6-5-10-16(17)20(27)26(23(24)31)19(14-15-8-3-2-4-9-15)21(28)25-13-7-12-18(25)22(29)30/h2-6,8-11,18-19H,7,12-14H2,1H3,(H,29,30)/t18-,19-/m0/s1	C23H23N3O5	421.446	8	1	98.23	4	6	0	-2.3397	2.61939	3.11	4.46	57.288	115.9583	3.0778	385.715097411841
Cond-003775	NPD3853	NPD3853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5847184322	CCC(C)C(NC(=O)C(C)Oc1ccc2c(oc(=O)c(C)c2C)c1)C(=O)O	InChI=1S/C20H25NO6/c1-6-10(2)17(19(23)24)21-18(22)13(5)26-14-7-8-15-11(3)12(4)20(25)27-16(15)9-14/h7-10,13,17H,6H2,1-5H3,(H,21,22)(H,23,24)	C20H25NO6	375.416	7	2	101.93	2	8	0	-0.125400000000001	3.33377	2.89	3.124	71.3441	103.6985	2.8604	364.146143322469
Cond-003776	NPD3854	NPD3854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4363249722	CSCC[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1)C(=O)O	InChI=1S/C22H31N3O4S/c1-30-15-9-18(20(27)28)24-21(29)22(16-6-3-2-4-7-16)10-13-25(14-11-22)19(26)17-8-5-12-23-17/h2-4,6-7,17-18,23H,5,8-15H2,1H3,(H,24,29)(H,27,28)/t17-,18-/m0/s1	C22H31N3O4S	433.564	7	3	124.04	3	10	0	-2.2273	1.85519	3	3.44	84.6458	120.7672	3.3223	411.940203647014
Cond-003777	NPD3855	NPD3855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1185362751	CCC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C19H25N5O6/c1-3-10(2)16(17(27)22-12(18(28)29)8-14(20)25)23-19(30)24-9-15(26)21-11-6-4-5-7-13(11)24/h4-7,10,12,16H,3,8-9H2,1-2H3,(H2,20,25)(H,21,26)(H,22,27)(H,23,30)(H,28,29)/t10?,12-,16-/m0/s1	C19H25N5O6	419.432	11	6	174.42	2	11	2	-2.8032	1.32237	2.34	0.338	73.6237	113.1464	3.0757	388.200740828469
Cond-003778	NPD3856	NPD3856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.0862056149	COc1c(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)cccc1	InChI=1S/C24H31N3O3/c1-16(2)12-21(23(28)26-15-19-10-6-7-11-22(19)30-3)27-24(29)20-13-17-8-4-5-9-18(17)14-25-20/h4-11,16,20-21,25H,12-15H2,1-3H3,(H,26,28)(H,27,29)/t20-,21-/m0/s1	C24H31N3O3	409.521	6	3	79.46	3	10	1	-1.1419	2.66719	3.44	5.019	65.1538	121.0581	3.2959	403.060004738986
Cond-003779	NPD3857	NPD3857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3524943339	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@H](C)C(=O)O)c1ccc(cc1)C(C)C	InChI=1S/C32H30N4O5/c1-17(2)19-12-14-20(15-13-19)28-27-23(21-8-4-6-10-24(21)34-27)16-26-30(38)36(32(41)35(26)28)25-11-7-5-9-22(25)29(37)33-18(3)31(39)40/h4-15,17-18,26,28,34H,16H2,1-3H3,(H,33,37)(H,39,40)/t18-,26+,28?/m1/s1	C32H30N4O5	550.604	9	3	122.81	6	7	1	-1.7242	4.77648000000001	3.99	7.043	67.9203	156.903	4.05650000000001	495.316967048008
Cond-003780	NPD3858	NPD3858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2305048442	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(OCC)cc1)c1c(C)cccc1	InChI=1S/C35H30N4O4/c1-3-43-23-18-16-22(17-19-23)36-33(40)26-13-7-9-15-29(26)39-34(41)30-20-27-25-12-6-8-14-28(25)37-31(27)32(38(30)35(39)42)24-11-5-4-10-21(24)2/h4-19,30,32,37H,3,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O4	570.637	8	2	94.74	7	7	1	-1.1109	6.46379000000001	4.43	8.369	54.3234	167.4757	4.22590000000001	509.885318122647
Cond-003781	NPD3859	NPD3859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4235903566	O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC(=O)N1C1OC(=O)c2c1cccc2	InChI=1S/C25H20N2O5/c28-22-15-14-21(27(22)24-19-8-4-5-9-20(19)25(30)32-24)23(29)26-16-10-12-18(13-11-16)31-17-6-2-1-3-7-17/h1-13,21,24H,14-15H2,(H,26,29)/t21-,24?/m0/s1	C25H20N2O5	428.437	7	1	84.94	5	6	1	-1.7929	5.06048000000001	3.44	5.755	36.7549	120.8677	3.0652	380.780930353008
Cond-003782	NPD386	NPD386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1237377398	[C@@H]12Cc3c([nH]c4c3cccc4)C(N1C(=S)N(CC)C2=O)c1ccc(OC)c(OC)c1	InChI=1S/C23H23N3O3S/c1-4-25-22(27)17-12-15-14-7-5-6-8-16(14)24-20(15)21(26(17)23(25)30)13-9-10-18(28-2)19(11-13)29-3/h5-11,17,21,24H,4,12H2,1-3H3/t17-,21?/m0/s1	C23H23N3O3S	421.512	6	1	89.89	5	4	0	-0.1685	3.44758	3.22	4.121	62.3832	122.015	3.0583	366.023668068319
Cond-003783	NPD3860	NPD3860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.353487453	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CO	InChI=1S/C22H31N3O4S/c1-12(2)10-16(18(27)23-13(3)11-26)24-19(28)17-22(4,5)30-21-15-9-7-6-8-14(15)20(29)25(17)21/h6-9,12-13,16-17,21,26H,10-11H2,1-5H3,(H,23,27)(H,24,28)/t13-,16-,17+,21?/m0/s1	C22H31N3O4S	433.564	7	3	124.04	3	9	0	-0.520999999999999	1.7449	3	3.157	89.0021	119.3962	3.3223	411.940203647014
Cond-003784	NPD3861	NPD3861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.6323779039	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C1CCCC1)C2=O	InChI=1S/C21H24N4O4/c22-15(26)10-9-14-16-17(19(28)25(18(16)27)11-5-1-2-6-11)21(24-14)12-7-3-4-8-13(12)23-20(21)29/h3-4,7-8,11,14,16-17,24H,1-2,5-6,9-10H2,(H2,22,26)(H,23,29)/t14?,16-,17+,21?/m1/s1	C21H24N4O4	396.44	8	4	121.6	5	4	0	-4.5286	1.16269	2.89	0.195	66.0152	106.1648	2.8575	359.782579069313
Cond-003785	NPD3862	NPD3862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5284805445	Cc1c(CC(=O)N2CCC(CC2)C(=O)N)c(=O)oc2cc(O)cc(O)c12	InChI=1S/C18H20N2O6/c1-9-12(8-15(23)20-4-2-10(3-5-20)17(19)24)18(25)26-14-7-11(21)6-13(22)16(9)14/h6-7,10,21-22H,2-5,8H2,1H3,(H2,19,24)	C18H20N2O6	360.361	8	4	130.16	3	4	0	-2.2254	1.45627	2.56	-0.867	63.1028	95.358	2.5698	328.194475578102
Cond-003786	NPD3863	NPD3863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6005180315	CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O	InChI=1S/C26H29NO6/c1-5-15(2)23(25(29)30)27-22(28)14-32-21-12-11-19-16(3)20(13-18-9-7-6-8-10-18)26(31)33-24(19)17(21)4/h6-12,15,23H,5,13-14H2,1-4H3,(H,27,28)(H,29,30)/t15-,23-/m0/s1	C26H29NO6	451.512	7	2	101.93	3	10	1	0.234799999999998	4.75159000000001	3.55	6.081	71.2856	129.5425	3.4682	436.756216274469
Cond-003787	NPD3864	NPD3864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5406125166	CC1CCCC[NH+]1Cc1c2oc(=O)cc(c3cc4c(oc3=O)ccc(Cl)c4)c2ccc1[O-]	InChI=1S/C25H22ClNO5/c1-14-4-2-3-9-27(14)13-20-21(28)7-6-17-18(12-23(29)32-24(17)20)19-11-15-10-16(26)5-8-22(15)31-25(19)30/h5-8,10-12,14,28H,2-4,9,13H2,1H3	C25H22ClNO5	451.899	6	1	80.1	5	3	0	-2.0781	4.03066	3.44	4.291	63.7767	123.3437	3.1738	401.168155316874
Cond-003788	NPD3865	NPD3865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.841873224	CC(C)c1c(N2COc3c(C2)cc2c(oc(=O)c4c2cccc4)c3C)c(C)ccc1	InChI=1S/C26H25NO3/c1-15(2)19-11-7-8-16(3)23(19)27-13-18-12-22-20-9-5-6-10-21(20)26(28)30-25(22)17(4)24(18)29-14-27/h5-12,15H,13-14H2,1-4H3	C26H25NO3	399.482	4	0	38.77	5	2	1	1.642	6.73752000000001	3.88	7.468	45.0269	124.553	3.0749	374.772618771186
Cond-003789	NPD3866	NPD3866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5334323199	CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C31H31NO6S/c1-20-24-14-15-27(21(2)28(24)38-29(33)25(20)18-22-10-6-4-7-11-22)37-30(34)26(16-17-39-3)32-31(35)36-19-23-12-8-5-9-13-23/h4-15,26H,16-19H2,1-3H3,(H,32,35)/t26-/m1/s1	C31H31NO6S	545.646	7	1	116.23	4	13	2	1.8216	5.41731000000001	3.99	9.74600000000001	74.0088	155.0667	4.0986	510.579328658203
Cond-003790	NPD3867	NPD3867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5876228471	COc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)cc1	InChI=1S/C24H20O6/c1-26-17-9-7-16(8-10-17)14-28-18-11-12-19-22(13-18)29-15-23(24(19)25)30-21-6-4-3-5-20(21)27-2/h3-13,15H,14H2,1-2H3	C24H20O6	404.412	6	0	63.22	4	7	1	-1.3181	5.33496	3.44	5.622	38.4351	116.549	2.935	365.274569412969
Cond-003791	NPD3868	NPD3868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.023346886	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)NCC(=O)NCC(=O)O	InChI=1S/C20H18N2O7/c1-11-15(28-10-17(24)21-8-16(23)22-9-18(25)26)7-6-13-12-4-2-3-5-14(12)20(27)29-19(11)13/h2-7H,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)	C20H18N2O7	398.366	9	3	131.03	3	9	0	-1.718	1.44781	2.67	1.881	49.2012	106.0807	2.7813	352.767295427996
Cond-003792	NPD3869	NPD3869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.670661297	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C)cc1	InChI=1S/C32H32N4O3S/c1-19-11-13-20(14-12-19)18-33-30(37)26(15-16-40-2)35-31(38)27-17-24-21-7-5-6-10-25(21)34-28(24)29-22-8-3-4-9-23(22)32(39)36(27)29/h3-14,26-27,29,34H,15-18H2,1-2H3,(H,33,37)(H,35,38)/t26-,27-,29?/m0/s1	C32H32N4O3S	552.686	7	3	119.6	6	10	1	-1.5569	3.46921	4.1	7.229	71.8617	159.4034	4.1456	498.881996405286
Cond-003793	NPD387	NPD387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0821917808	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCC	InChI=1S/C33H56O2/c1-5-7-9-10-11-13-14-25-17-19-29-28-18-16-26-24-27(35-31(34)15-12-8-6-2)20-22-33(26,4)30(28)21-23-32(25,29)3/h16,25,27-30H,5-15,17-24H2,1-4H3/t25?,27-,28?,29?,30?,32+,33-/m0/s1	C33H56O2	484.797	2	0	26.3	4	13	2	-1.4763	9.96818	4.87	13.34	130.5161	150.181	4.3553	542.205652550725
Cond-003794	NPD3870	NPD3870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.0180317184	OC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C28H30N4O6/c33-24-20-9-4-5-10-21(20)29-28(38)32(24)23(17-18-7-2-1-3-8-18)26(35)31-14-6-11-22(31)25(34)30-15-12-19(13-16-30)27(36)37/h1-5,7-10,19,22-23H,6,11-17H2,(H,29,38)(H,36,37)/t22-,23-/m0/s1	C28H30N4O6	518.561	10	2	130.82	5	8	0	-3.2211	2.74498	3.44	4.753	78.9369	142.0021	3.7892	476.989090048303
Cond-003795	NPD3871	NPD3871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.263276047	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3c(C)cc(C)cc3)c(C)c1c2	InChI=1S/C25H25NO4/c1-13-6-8-21(14(2)10-13)26-24(27)9-7-18-16(4)20-11-19-15(3)17(5)29-22(19)12-23(20)30-25(18)28/h6,8,10-12H,7,9H2,1-5H3,(H,26,27)	C25H25NO4	403.47	5	1	68.54	4	5	1	2.3013	5.84385000000001	3.66	5.124	60.3862	120.4887	3.1013	378.62331954668
Cond-003796	NPD3872	NPD3872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8793014262	CCC(NC(=O)Cc1c(C)c2cc3c(occ3C)cc2oc1=O)C(=O)N[C@H](CCCNC(=O)N)C(=O)O	InChI=1S/C25H30N4O8/c1-4-17(22(31)29-18(23(32)33)6-5-7-27-25(26)35)28-21(30)9-16-13(3)15-8-14-12(2)11-36-19(14)10-20(15)37-24(16)34/h8,10-11,17-18H,4-7,9H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H3,26,27,35)/t17?,18-/m1/s1	C25H30N4O8	514.528	12	6	190.06	3	14	1	-2.1022	2.00809	2.89	0.359	89.3788	135.5503	3.7441	470.030965674225
Cond-003797	NPD3873	NPD3873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1711298516	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)n(c(=O)n(C)c1=O)c1ccc(Cl)cc1	InChI=1S/C23H21ClN4O3/c1-26-12-11-16-15-5-3-4-6-17(15)25-19(16)20(26)18-21(29)27(2)23(31)28(22(18)30)14-9-7-13(24)8-10-14/h3-10,20,25,30H,11-12H2,1-2H3	C23H21ClN4O3	436.891	7	2	79.88	5	2	0	0.172499999999999	4.48786	3.11	3.883	60.0701	123.2178	3.074	371.086013288519
Cond-003798	NPD3874	NPD3874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.234708953	[C@@H]12[C@H](CCC(=O)O)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(C2=O)c1ccccc1	InChI=1S/C22H19N3O5/c26-16(27)11-10-15-17-18(20(29)25(19(17)28)12-6-2-1-3-7-12)22(24-15)13-8-4-5-9-14(13)23-21(22)30/h1-9,15,17-18,24H,10-11H2,(H,23,30)(H,26,27)/t15-,17+,18-,22-/m0/s1	C22H19N3O5	405.403	8	3	115.81	5	4	0	-2.9312	2.55108	3	2.207	50.7487	109.8562	2.82830000000001	356.062654085174
Cond-003799	NPD3875	NPD3875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.7775361268	COc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCO	InChI=1S/C22H21N3O3/c1-28-15-9-7-14(8-10-15)20-21-17(16-5-2-3-6-18(16)24-21)13-19(25-20)22(27)23-11-4-12-26/h2-3,5-10,13,24,26H,4,11-12H2,1H3,(H,23,27)	C22H21N3O3	375.42	6	3	87.24	4	7	0	-1.8321	3.84917000000001	3.22	3.44	32.9579	116.0435	2.8195	329.038659384852
Cond-003800	NPD3876	NPD3876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4257425743	OC(=O)C(Cc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O	InChI=1S/C19H17N3O4/c23-17(21-16(19(25)26)10-13-6-2-1-3-7-13)11-22-12-20-15-9-5-4-8-14(15)18(22)24/h1-9,12,16H,10-11H2,(H,21,23)(H,25,26)	C19H17N3O4	351.356	7	2	99.07	3	7	0	-1.8401	1.74588	2.78	4.068	42.4035	99.4010000000001	2.5641	320.097390908613
Cond-003801	NPD3877	NPD3877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5243352356	COc1ccc(cc1)N1CC[NH+](Cc2cc(=O)oc3ccc([O-])cc23)CC1	InChI=1S/C21H22N2O4/c1-26-18-5-2-16(3-6-18)23-10-8-22(9-11-23)14-15-12-21(25)27-20-7-4-17(24)13-19(15)20/h2-7,12-13,24H,8-11,14H2,1H3	C21H22N2O4	366.41	6	1	66.27	4	4	0	-2.1442	1.55536	3.11	2.28	49.0899	104.9367	2.7235	336.60905865298
Cond-003802	NPD3878	NPD3878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5221116911	COc1c(Cl)cc2c(oc(=O)c(CC(=O)N[C@@H](CCSC)C(=O)O)c2C)c1	InChI=1S/C18H20ClNO6S/c1-9-10-6-12(19)15(25-2)8-14(10)26-18(24)11(9)7-16(21)20-13(17(22)23)4-5-27-3/h6,8,13H,4-5,7H2,1-3H3,(H,20,21)(H,22,23)/t13-/m0/s1	C18H20ClNO6S	413.872	7	2	127.23	2	9	0	0.739600000000002	3.30567	2.45	2.26	76.2504	107.6575	2.8645	363.274265898768
Cond-003803	NPD3879	NPD3879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.449555079	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCCN3CCCC3=O)c(C)c1c2	InChI=1S/C24H28N2O5/c1-13-16(4)30-22-15(3)23-18(11-17(13)22)14(2)19(24(29)31-23)12-20(27)25-8-6-10-26-9-5-7-21(26)28/h11H,5-10,12H2,1-4H3,(H,25,27)	C24H28N2O5	424.49	7	1	88.85	4	7	0	0.455699999999999	3.26093	3.33	2.067	81.9692	120.0917	3.2049	397.287239231141
Cond-003804	NPD388	NPD388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.5650469411	CCCc1cc(c2c(c3ccc(o3)C(=O)OCC)c(C)no2)c(O)cc1O	InChI=1S/C20H21NO6/c1-4-6-12-9-13(15(23)10-14(12)22)19-18(11(3)21-27-19)16-7-8-17(26-16)20(24)25-5-2/h7-10,22-23H,4-6H2,1-3H3	C20H21NO6	371.384	7	2	105.93	3	7	0	-0.702	4.99179000000001	2.89	3.683	44.0578	107.2408	2.7088	327.353225920868
Cond-003805	NPD3880	NPD3880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4548714883	CCCCc1cc(=O)oc2cc(OC(C)C(=O)NCCCC(=O)O)ccc12	InChI=1S/C20H25NO6/c1-3-4-6-14-11-19(24)27-17-12-15(8-9-16(14)17)26-13(2)20(25)21-10-5-7-18(22)23/h8-9,11-13H,3-7,10H2,1-2H3,(H,21,25)(H,22,23)	C20H25NO6	375.416	7	2	101.93	2	11	1	-1.764	3.47947	2.89	3.311	69.5768	103.7905	2.8604	364.146143322469
Cond-003806	NPD3882	NPD3882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3730931316	CC(C)CCC(CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1	InChI=1S/C26H37NO3/c1-18(2)7-8-22(21-9-13-24(14-10-21)29-19(3)4)17-26(28)27-23-11-15-25(16-12-23)30-20(5)6/h9-16,18-20,22H,7-8,17H2,1-6H3,(H,27,28)	C26H37NO3	411.577	4	1	47.56	2	12	2	-0.0257999999999995	7.64358	3.88	8.317	71.5937	127.9577	3.5297	430.651370975986
Cond-003807	NPD3883	NPD3883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6647817892	OC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)c1ccccc1	InChI=1S/C26H31N3O4/c30-23(21-12-7-15-27-21)29-16-13-26(14-17-29,20-10-5-2-6-11-20)25(33)28-22(24(31)32)18-19-8-3-1-4-9-19/h1-6,8-11,21-22,27H,7,12-18H2,(H,28,33)(H,31,32)/t21-,22-/m0/s1	C26H31N3O4	449.542	7	3	98.74	4	9	1	-2.5814	2.34479	3.55	5.734	68.3972	127.9142	3.4848	431.44928328968
Cond-003808	NPD3884	NPD3884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0414475796	Cc1c(CC(=O)NCc2cnccc2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C24H22N2O4/c1-14-17-9-19-16-6-2-3-7-20(16)29-22(19)11-21(17)30-24(28)18(14)10-23(27)26-13-15-5-4-8-25-12-15/h4-5,8-9,11-12H,2-3,6-7,10,13H2,1H3,(H,26,27)	C24H22N2O4	402.442	6	1	81.43	5	5	0	-0.373	4.24416000000001	3.44	3.443	53.1346	117.4347	2.9516	359.96763642818
Cond-003809	NPD3885	NPD3885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.0351127044	Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)c1cc2c(OCO2)cc1	InChI=1S/C20H17NO5/c1-11-12(2)20(22)26-19-14(11)4-6-16-15(19)8-21(9-23-16)13-3-5-17-18(7-13)25-10-24-17/h3-7H,8-10H2,1-2H3	C20H17NO5	351.353	6	0	57.23	5	1	0	0.843	5.28005	3	3.134	46.1096	102.886	2.4329	304.750081818707
Cond-003810	NPD3886	NPD3886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8605018771	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C22H22N2O4S/c1-22(2)17(24-19(26)14-10-6-7-11-15(14)20(24)29-22)18(25)23-16(21(27)28)12-13-8-4-3-5-9-13/h3-11,16-17,20H,12H2,1-2H3,(H,23,25)(H,27,28)/t16-,17-,20?/m1/s1	C22H22N2O4S	410.486	6	2	112.01	4	6	1	-0.4443	2.73989	3.11	5.446	58.3523	112.988	2.9849	369.777608635646
Cond-003811	NPD3887	NPD3887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9645435348	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(C)c(C)cc3)cc12	InChI=1S/C27H25NO4/c1-16-5-8-21(11-17(16)2)28-14-20-12-24-23(19-6-9-22(30-4)10-7-19)13-25(29)32-27(24)18(3)26(20)31-15-28/h5-13H,14-15H2,1-4H3	C27H25NO4	427.492	5	0	48	5	3	1	1.8248	5.78152	3.88	6.552	52.6004	127.427	3.2315	398.222371396813
Cond-003812	NPD3888	NPD3888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5807078279	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)O)c1cc(OC)ccc1	InChI=1S/C27H21N3O5/c1-35-18-6-4-5-16(13-18)24-23-20(19-7-2-3-8-21(19)28-23)14-22-25(31)29(27(34)30(22)24)17-11-9-15(10-12-17)26(32)33/h2-13,22,24,28H,14H2,1H3,(H,32,33)/t22-,24?/m0/s1	C27H21N3O5	467.473	8	2	102.94	6	4	0	-1.6083	3.89148	3.55	4.657	44.3053	131.5398	3.29520000000001	400.476742411308
Cond-003813	NPD389	NPD389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.10795176	CC(Oc1ccc2c3c(CCC3)c(=O)oc2c1)C(=O)NCC1CCC(CC1)C(=O)O	InChI=1S/C23H27NO6/c1-13(21(25)24-12-14-5-7-15(8-6-14)22(26)27)29-16-9-10-18-17-3-2-4-19(17)23(28)30-20(18)11-16/h9-11,13-15H,2-8,12H2,1H3,(H,24,25)(H,26,27)	C23H27NO6	413.464	7	2	101.93	4	7	0	-0.728999999999999	3.86957000000001	3.22	2.875	81.2577	113.2735	3.0659	391.321179798469
Cond-003814	NPD3890	NPD3890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9001620586	Cc1cc(OCC(=O)N2CCC(CC2)C(=O)O)c2c(C)cc(=O)oc2c1	InChI=1S/C19H21NO6/c1-11-7-14(18-12(2)9-17(22)26-15(18)8-11)25-10-16(21)20-5-3-13(4-6-20)19(23)24/h7-9,13H,3-6,10H2,1-2H3,(H,23,24)	C19H21NO6	359.373	7	1	93.14	3	5	0	-0.569600000000001	2.29089	2.78	1.666	66.0304	96.0448000000001	2.6109	334.493699995802
Cond-003815	NPD3891	NPD3891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0590025071	CCCCc1cc(=O)oc2cc(OC(=O)C(CC)NS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C24H27NO6S/c1-4-6-7-17-14-23(26)31-22-15-18(10-13-20(17)22)30-24(27)21(5-2)25-32(28,29)19-11-8-16(3)9-12-19/h8-15,21,25H,4-7H2,1-3H3	C24H27NO6S	457.539	7	1	107.15	3	10	1	-1.1673	4.93558000000001	3.22	6.086	66.9709	119.6347	3.3929	423.309729781136
Cond-003816	NPD3892	NPD3892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4297946872	COc1ccc(cc1OC)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2ccccc2)c1	InChI=1S/C26H22O6/c1-15-24-20(27)12-19(18-10-11-21(29-3)22(13-18)30-4)14-23(25(24)16(2)31-15)32-26(28)17-8-6-5-7-9-17/h5-14H,1-4H3	C26H22O6	430.449	6	0	74.97	4	6	1	0.452900000000002	4.41441	3.66	5.634	58.0231	121.0025	3.1738	397.230079963902
Cond-003817	NPD3893	NPD3893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.7692384345	COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(CC1)C(=O)[C@@H](N)CC(C)C	InChI=1S/C23H36N4O4/c1-14(2)12-18(24)23(30)27-10-8-17(9-11-27)22(29)25-16(4)21(28)26-19-13-15(3)6-7-20(19)31-5/h6-7,13-14,16-18H,8-12,24H2,1-5H3,(H,25,29)(H,26,28)/t16-,18-/m0/s1	C23H36N4O4	432.556	8	4	113.76	2	11	1	-2.196	2.6124	3.11	2.324	89.4976	123.0888	3.5081	434.080383124247
Cond-003818	NPD3894	NPD3894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.5644550707	COc1c(OC)c2c(cc1)C(OC2=O)N1C(CCC1=O)C(=O)Nc1cc(Cl)c(Cl)cc1	InChI=1S/C21H18Cl2N2O6/c1-29-15-7-4-11-17(18(15)30-2)21(28)31-20(11)25-14(6-8-16(25)26)19(27)24-10-3-5-12(22)13(23)9-10/h3-5,7,9,14,20H,6,8H2,1-2H3,(H,24,27)	C21H18Cl2N2O6	465.283	8	1	94.17	4	6	0	-0.2538	4.09139	2.67	3.092	60.9986	115.4147	3.0427	381.975188894168
Cond-003819	NPD3895	NPD3895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6268000976	CC(Oc1ccc2c(oc(=O)cc2c2ccccc2)c1)C(=O)NCc1ncccc1	InChI=1S/C24H20N2O4/c1-16(24(28)26-15-18-9-5-6-12-25-18)29-19-10-11-20-21(17-7-3-2-4-8-17)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)	C24H20N2O4	400.427	6	1	77.52	4	7	1	-0.8087	4.18837	3.44	6.243	38.3094	116.5647	2.9742	367.05117772738
Cond-003820	NPD3896	NPD3896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	90.2406350781	CC(CCc1ccccc1)NC(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C27H25NO4/c1-19(12-13-20-8-4-2-5-9-20)28-26(29)18-31-22-14-15-23-24(21-10-6-3-7-11-21)17-27(30)32-25(23)16-22/h2-11,14-17,19H,12-13,18H2,1H3,(H,28,29)	C27H25NO4	427.492	5	1	64.63	4	9	1	-1.141	5.10557000000001	3.88	9.17	46.0113	127.7027	3.29710000000001	407.942371396813
Cond-003821	NPD3897	NPD3897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.482776683	Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1OCc1ccc(F)cc1F	InChI=1S/C26H16F2O5/c1-14-22(31-13-16-6-7-17(27)11-21(16)28)9-8-18-19(12-24(29)33-25(14)18)20-10-15-4-2-3-5-23(15)32-26(20)30/h2-12H,13H2,1H3	C26H16F2O5	446.399	5	0	61.83	5	4	1	1.7144	5.46208	3.55	6.523	44.2837	119.189	2.9989	385.582053562353
Cond-003822	NPD3898	NPD3898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.6925639267	Cc1ccccc1N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C25H21NO3/c1-16-8-6-7-11-22(16)26-14-19-12-21-20(18-9-4-3-5-10-18)13-23(27)29-25(21)17(2)24(19)28-15-26/h3-13H,14-15H2,1-2H3	C25H21NO3	383.439	4	0	38.77	5	2	1	1.2346	5.79961	3.77	7.517	39.7825	117.501	2.891	354.840175444519
Cond-003823	NPD3899	NPD3899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.4752699837	[C@@H]12C(CC(=O)N)NC3(C(=O)Nc4c3cc(Cl)cc4C)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C26H27ClN4O6/c1-12-8-14(27)10-15-22(12)29-25(35)26(15)21-20(16(30-26)11-19(28)32)23(33)31(24(21)34)7-6-13-4-5-17(36-2)18(9-13)37-3/h4-5,8-10,16,20-21,30H,6-7,11H2,1-3H3,(H2,28,32)(H,29,35)/t16?,20-,21+,26?/m1/s1	C26H27ClN4O6	526.969	10	4	140.06	5	7	0	-1.4883	1.77131	3.11	0.749	82.9726	136.0588	3.6728	460.244647267802
Cond-003824	NPD39	NPD39	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.814099422	CCCCCCc1c(OC(=O)CCCNC(=O)OCc2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C30H35NO6/c1-2-3-4-8-13-22-18-25-23-14-9-15-24(23)29(33)37-27(25)19-26(22)36-28(32)16-10-17-31-30(34)35-20-21-11-6-5-7-12-21/h5-7,11-12,18-19H,2-4,8-10,13-17,20H2,1H3,(H,31,34)	C30H35NO6	505.602	7	1	90.93	4	15	2	-1.6211	6.53797000000001	3.99	8.258	81.1927	146.4127	3.9232	493.583696077136
Cond-003825	NPD3900	NPD3900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.3700726579	CCC(C)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C27H31N5O7/c1-3-15(2)22(26(37)38)31-23(34)19(14-21(28)33)29-24(35)20(13-16-9-5-4-6-10-16)32-25(36)17-11-7-8-12-18(17)30-27(32)39/h4-12,15,19-20,22H,3,13-14H2,1-2H3,(H2,28,33)(H,29,35)(H,30,39)(H,31,34)(H,37,38)/t15?,19-,20-,22-/m0/s1	C27H31N5O7	537.564	12	6	191.49	3	14	2	-2.8196	1.40648	3.11	3.991	82.1914	145.0909	3.98100000000001	501.556551031964
Cond-003826	NPD3901	NPD3901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.9291878298	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C25H26N4O4/c1-14-6-5-9-16-21(14)27-24(33)25(16)20-19(17(28-25)10-11-18(26)30)22(31)29(23(20)32)13-12-15-7-3-2-4-8-15/h2-9,17,19-20,28H,10-13H2,1H3,(H2,26,30)(H,27,33)/t17?,19-,20+,25?/m1/s1	C25H26N4O4	446.498	8	4	121.6	5	6	0	-2.417	1.49081	3.33	2.736	65.637	122.5618	3.2921	410.15714147038
Cond-003827	NPD3902	NPD3902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.3159717896	C1(C)C(OC(=O)CCC(=O)NCCCC(=O)O)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC1C24OO3	InChI=1S/C23H35NO9/c1-13-6-7-16-14(2)20(29-19(28)9-8-17(25)24-12-4-5-18(26)27)30-21-23(16)15(13)10-11-22(3,31-21)32-33-23/h13-16,20-21H,4-12H2,1-3H3,(H,24,25)(H,26,27)/t13-,14?,15+,16?,20?,21+,22?,23?/m1/s1	C23H35NO9	469.525	10	2	129.62	3	10	0	-0.4287	2.73269	2.89	2.613	101.2626	115.2765	3.414	439.137694703353
Cond-003828	NPD3903	NPD3903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8553708757	COc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccccc1	InChI=1S/C27H23N3O2/c1-32-24-14-8-6-12-20(24)25-26-21(19-11-5-7-13-22(19)29-26)17-23(30-25)27(31)28-16-15-18-9-3-2-4-10-18/h2-14,17,29H,15-16H2,1H3,(H,28,31)	C27H23N3O2	421.49	5	2	67.01	5	7	1	-0.839799999999999	5.70947000000001	3.88	7.69	27.2213	134.4867	3.22770000000001	375.562521010425
Cond-003829	NPD3904	NPD3904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.379347507	COc1cc(OC)c(Cl)cc1N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H20ClNO5/c1-13-22-14(8-17-15-6-4-5-7-16(15)24(27)31-23(13)17)11-26(12-30-22)19-9-18(25)20(28-2)10-21(19)29-3/h4-10H,11-12H2,1-3H3	C24H20ClNO5	437.872	6	0	57.23	5	3	1	1.0678	6.20199	3.33	5.164	45.5042	124.672	3.0329	372.972170691007
Cond-003830	NPD3905	NPD3905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.304348902	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c1c2	InChI=1S/C26H25NO6/c1-13-16(4)32-23-15(3)24-19(11-18(13)23)14(2)20(26(31)33-24)12-22(28)27-21(25(29)30)10-17-8-6-5-7-9-17/h5-9,11,21H,10,12H2,1-4H3,(H,27,28)(H,29,30)/t21-/m0/s1	C26H25NO6	447.48	7	2	105.84	4	7	1	1.2624	3.94433000000001	3.55	5.262	65.4262	126.3635	3.3166	410.863298872869
Cond-003831	NPD3906	NPD3906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0739458544	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N1CCC(CC1)C(=O)O)c1cc(OC)ccc1	InChI=1S/C33H30N4O6/c1-43-21-8-6-7-20(17-21)29-28-24(22-9-2-4-11-25(22)34-28)18-27-31(39)37(33(42)36(27)29)26-12-5-3-10-23(26)30(38)35-15-13-19(14-16-35)32(40)41/h2-12,17,19,27,29,34H,13-16,18H2,1H3,(H,40,41)/t27-,29?/m0/s1	C33H30N4O6	578.614	10	2	123.25	7	6	0	-2.9406	4.39558000000001	3.99	4.716	70.616	161.0653	4.14750000000001	509.046719673636
Cond-003832	NPD3907	NPD3907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3542545274	COc1c(Cl)cc2c(oc(=O)c(CC(=O)NCCc3c[nH]c4ccccc34)c2C)c1	InChI=1S/C23H21ClN2O4/c1-13-16-9-18(24)21(29-2)11-20(16)30-23(28)17(13)10-22(27)25-8-7-14-12-26-19-6-4-3-5-15(14)19/h3-6,9,11-12,26H,7-8,10H2,1-2H3,(H,25,27)	C23H21ClN2O4	424.877	6	2	80.42	4	7	0	0.5668	4.74666	3.22	3.668	57.0583	121.5777	3.0417	370.239178273546
Cond-003833	NPD3908	NPD3908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9976090855	CC(C)OCCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C23H29NO5/c1-13(2)27-10-6-9-24-22(25)8-7-17-15(4)19-11-18-14(3)16(5)28-20(18)12-21(19)29-23(17)26/h11-13H,6-10H2,1-5H3,(H,24,25)	C23H29NO5	399.48	6	1	77.77	3	9	0	0.6506	4.42561000000001	3.33	3.197	78.5324	116.3427	3.1158	383.987411798708
Cond-003834	NPD3909	NPD3909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7428288823	COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1OC	InChI=1S/C20H23NO5/c1-23-16-7-5-6-15(19(16)26-4)20(22)21-9-8-13-10-17(24-2)18(25-3)11-14(13)12-21/h5-7,10-11H,8-9,12H2,1-4H3	C20H23NO5	357.4	6	0	57.23	3	6	0	-0.563199999999998	2.54839	3	2.301	50.5809	99.8020000000001	2.6931	332.099457921107
Cond-003835	NPD391	NPD391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0939334638	CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C38H66O2/c1-5-7-9-11-13-14-16-18-20-36(39)40-32-25-27-38(4)31(29-32)21-23-33-34-24-22-30(19-17-15-12-10-8-6-2)37(34,3)28-26-35(33)38/h21,30,32-35H,5-20,22-29H2,1-4H3/t30?,32-,33?,34?,35?,37+,38-/m0/s1	C38H66O2	554.929	2	0	26.3	4	18	2	-2.9163	11.91868	5.42	16.185	145.0741	173.266	5.0598	628.685575680056
Cond-003836	NPD3910	NPD3910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4523957685	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C32H29NO6S/c1-18-23-14-25-28(22-12-8-5-9-13-22)20(3)38-30(25)19(2)29(23)39-32(37)24(18)15-27(34)33-26(31(35)36)17-40-16-21-10-6-4-7-11-21/h4-14,26H,15-17H2,1-3H3,(H,33,34)(H,35,36)/t26-/m0/s1	C32H29NO6S	555.641	7	2	131.14	5	10	1	1.1718	5.98291000000001	4.1	8.36	72.2766	160.7455	4.0879	501.982395882469
Cond-003837	NPD3911	NPD3911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1225405592	CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C28H28N2O7/c1-4-15(2)26(27(33)34)30-25(32)13-29-24(31)11-19-16(3)18-10-20-21(17-8-6-5-7-9-17)14-36-22(20)12-23(18)37-28(19)35/h5-10,12,14-15,26H,4,11,13H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/t15-,26+/m1/s1	C28H28N2O7	504.531	9	3	134.94	4	11	1	-1.4634	4.51447000000001	3.55	4.691	73.1732	141.6532	3.7139	462.60579633253
Cond-003838	NPD3912	NPD3912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5600892727	COc1ccc(cc1)c1cn2ccc3cc(OC)c(OC)cc3c2c1c1ccc(OC)c(OC)c1	InChI=1S/C29H27NO5/c1-31-21-9-6-18(7-10-21)23-17-30-13-12-19-14-26(34-4)27(35-5)16-22(19)29(30)28(23)20-8-11-24(32-2)25(15-20)33-3/h6-17H,1-5H3	C29H27NO5	469.528	6	0	50.56	5	7	1	-0.2458	7.47228	3.99	5.201	39.477	143.405	3.529	417.168108648308
Cond-003839	NPD3913	NPD3913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0411397865	CCCCC(NC(=O)CCc1c(C)c2cc3c(occ3C(C)(C)C)cc2oc1=O)C(=O)O	InChI=1S/C25H31NO6/c1-6-7-8-19(23(28)29)26-22(27)10-9-15-14(2)16-11-17-18(25(3,4)5)13-31-20(17)12-21(16)32-24(15)30/h11-13,19H,6-10H2,1-5H3,(H,26,27)(H,28,29)	C25H31NO6	441.517	7	2	105.84	3	10	0	0.2824	5.51457000000001	3.44	4.736	82.4498	125.7105	3.4133	424.733149050203
Cond-003840	NPD3914	NPD3914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9752938832	COc1c(OC)c2c(cc1)C(OC2=O)N1[C@@H](CCC1=O)C(=O)Nc1ccc(F)cc1	InChI=1S/C21H19FN2O6/c1-28-15-9-7-13-17(18(15)29-2)21(27)30-20(13)24-14(8-10-16(24)25)19(26)23-12-5-3-11(22)4-6-12/h3-7,9,14,20H,8,10H2,1-2H3,(H,23,26)/t14-,20?/m0/s1	C21H19FN2O6	414.384	8	1	94.17	4	6	0	-1.2627	2.92369	2.78	2.859	50.6399	105.3527	2.8156	357.620612203608
Cond-003841	NPD3915	NPD3915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3613567505	Cc1coc2c1cc1c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc1c2C	InChI=1S/C26H24N2O4/c1-14-13-31-24-16(3)25-20(10-19(14)24)15(2)21(26(30)32-25)11-23(29)27-9-8-17-12-28-22-7-5-4-6-18(17)22/h4-7,10,12-13,28H,8-9,11H2,1-3H3,(H,27,29)	C26H24N2O4	428.48	6	2	84.33	5	6	0	1.0042	4.88690000000001	3.66	3.879	56.7502	127.0677	3.1904	381.023146979113
Cond-003842	NPD3916	NPD3916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.2164370594	[C@H]12CCCCN1C[C@H]1C[C@H]2C=C2CCCN(C(=S)Nc3cccc(c3)C(=O)OCC)[C@@H]12	InChI=1S/C25H33N3O2S/c1-2-30-24(29)18-7-5-9-21(15-18)26-25(31)28-12-6-8-17-13-19-14-20(23(17)28)16-27-11-4-3-10-22(19)27/h5,7,9,13,15,19-20,22-23H,2-4,6,8,10-12,14,16H2,1H3,(H,26,31)/t19-,20-,22-,23-/m1/s1	C25H33N3O2S	439.613	5	1	76.9	5	6	0	-0.887	4.34968000000001	3.55	4.605	94.1274	129.9907	3.4104	421.534786721892
Cond-003843	NPD3917	NPD3917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4555071562	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NCC(=O)NCC(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C26H24N2O7/c1-14-17(8-9-22(29)27-12-23(30)28-13-24(31)32)26(33)35-20-11-21-19(10-18(14)20)25(15(2)34-21)16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)	C26H24N2O7	476.478	9	3	134.94	4	10	0	-0.9029	3.6814	3.33	3.607	67.6647	135.0252	3.4321	428.013827080797
Cond-003844	NPD3918	NPD3918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.619545546	CC(C)CNC(=O)Cc1c(C)c2cc3c(OC(C)(C)CC3)cc2oc1=O	InChI=1S/C21H27NO4/c1-12(2)11-22-19(23)9-16-13(3)15-8-14-6-7-21(4,5)26-17(14)10-18(15)25-20(16)24/h8,10,12H,6-7,9,11H2,1-5H3,(H,22,23)	C21H27NO4	357.443	5	1	64.63	3	5	0	1.37	4.69776000000001	3.22	3.435	75.3472	106.4667	2.8183	354.141674547213
Cond-003845	NPD3919	NPD3919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3670855368	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C(C)C	InChI=1S/C36H31FN4O3/c1-21(2)23-13-15-24(16-14-23)33-32-28(26-7-3-5-9-29(26)39-32)19-31-35(43)41(36(44)40(31)33)30-10-6-4-8-27(30)34(42)38-20-22-11-17-25(37)18-12-22/h3-18,21,31,33,39H,19-20H2,1-2H3,(H,38,42)/t31-,33?/m0/s1	C36H31FN4O3	586.655	7	2	85.51	7	7	1	-0.8873	6.03768000000001	4.54	9.369	57.0642	168.9317	4.32580000000001	524.458634898259
Cond-003846	NPD392	NPD392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.325994496	CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)NCCCO)cc1	InChI=1S/C22H26N2O4/c1-16(2)28-19-11-9-17(10-12-19)15-20(22(27)23-13-6-14-25)24-21(26)18-7-4-3-5-8-18/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3,(H,23,27)(H,24,26)/b20-15+	C22H26N2O4	382.453	6	3	87.66	2	11	1	-2.0756	2.52898	3.22	4.841	56.2443	110.7632	3.0386	375.981501979647
Cond-003847	NPD3920	NPD3920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7997804994	COc1c(OC)c2c(cc1)c(cc(=O)o2)c1cc2c(oc1=O)cc(OCc1ccccc1)cc2	InChI=1S/C27H20O7/c1-30-22-11-10-19-20(14-24(28)34-25(19)26(22)31-2)21-12-17-8-9-18(13-23(17)33-27(21)29)32-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3	C27H20O7	456.443	7	0	80.29	5	6	1	0.00939999999999955	4.61756	3.66	6.027	51.6682	126.41	3.2218	408.32337388873
Cond-003848	NPD3921	NPD3921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.236366807	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cc(CC)cc3)[C@@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)C(=O)OCC	InChI=1S/C27H27N3O5/c1-3-15-7-12-19-18(14-15)27(26(34)28-19)22-21(20-6-5-13-29(20)27)23(31)30(24(22)32)17-10-8-16(9-11-17)25(33)35-4-2/h7-12,14,20-22H,3-6,13H2,1-2H3,(H,28,34)/t20-,21+,22-,27+/m0/s1	C27H27N3O5	473.52	8	1	96.02	6	5	0	-2.0005	3.13899	3.55	3.287	72.8347	130.4797	3.4242	430.186118513708
Cond-003849	NPD3922	NPD3922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7644479096	Cc1cc(OCC(=O)NC(Cc2c[nH]c3c2cc(O)cc3)C(=O)O)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C26H24N2O7/c1-13-7-21(24-16-3-2-4-17(16)26(33)35-22(24)8-13)34-12-23(30)28-20(25(31)32)9-14-11-27-19-6-5-15(29)10-18(14)19/h5-8,10-11,20,27,29H,2-4,9,12H2,1H3,(H,28,30)(H,31,32)	C26H24N2O7	476.478	9	4	137.95	5	8	0	-1.7416	3.42418000000001	3.33	2.406	67.2093	130.9323	3.3665	418.293827080797
Cond-003850	NPD3923	NPD3923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7348052592	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)NCCC(=O)O)c3)C2=O)cc(OC)c1OC	InChI=1S/C23H23NO9/c1-29-18-9-13(10-19(30-2)23(18)31-3)8-17-22(28)15-5-4-14(11-16(15)33-17)32-12-20(25)24-7-6-21(26)27/h4-5,8-11H,6-7,12H2,1-3H3,(H,24,25)(H,26,27)/b17-8-	C23H23NO9	457.43	10	2	129.62	3	11	1	-1.7364	3.35106	2.89	1.725	68.6621	122.536	3.2216	411.238942498552
Cond-003851	NPD3924	NPD3924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4371898414	CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C=C)cc4)ccc3c2=O)cc1	InChI=1S/C27H22O6/c1-3-18-5-7-19(8-6-18)16-31-22-13-14-23-24(15-22)32-17-25(26(23)28)33-21-11-9-20(10-12-21)27(29)30-4-2/h3,5-15,17H,1,4,16H2,2H3	C27H22O6	442.46	6	0	71.06	4	9	1	-0.245400000000001	5.45396	3.77	8.016	50.2329	126.3695	3.2717	411.889605888969
Cond-003852	NPD3925	NPD3925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.943715053	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(CCc1ccc(Cl)cc1)C2	InChI=1S/C24H20ClNO3/c1-15-22-17(12-21-19-4-2-3-5-20(19)24(27)29-23(15)21)13-26(14-28-22)11-10-16-6-8-18(25)9-7-16/h2-9,12H,10-11,13-14H2,1H3	C24H20ClNO3	405.873	4	0	38.77	5	3	1	1.4386	5.6958	3.55	6.353	40.0366	119.075	2.9155	355.391717289885
Cond-003853	NPD3926	NPD3926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0636237898	CC(C)[C@H](NC(=O)C1CN(C(=O)C1)c1cc2c(OCCO2)cc1)C(=O)NCC(=O)O	InChI=1S/C20H25N3O7/c1-11(2)18(20(28)21-9-17(25)26)22-19(27)12-7-16(24)23(10-12)13-3-4-14-15(8-13)30-6-5-29-14/h3-4,8,11-12,18H,5-7,9-10H2,1-2H3,(H,21,28)(H,22,27)(H,25,26)/t12?,18-/m0/s1	C20H25N3O7	419.428	10	3	134.27	3	9	0	-2.3135	1.41407	2.56	-0.358999999999999	77.242	111.0342	3.0101	382.573431738563
Cond-003854	NPD3927	NPD3927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7589903518	CC(C)C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCCCOC(C)C	InChI=1S/C26H36N4O4/c1-16(2)15-21(23(31)27-12-8-14-34-17(3)4)30-24(32)26(5)22-19(11-13-29(26)25(30)33)18-9-6-7-10-20(18)28-22/h6-7,9-10,16-17,21,28H,8,11-15H2,1-5H3,(H,27,31)/t21-,26-/m0/s1	C26H36N4O4	468.588	8	2	94.74	4	10	0	-1.0799	3.36548000000001	3.44	3.514	94.0179	134.1987	3.6706	447.718960899447
Cond-003855	NPD3928	NPD3928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.8782864406	CCCCc1cc(=O)oc2cc(OC(C)C(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)ccc12	InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(26)31-21-13-19(10-11-20(18)21)30-15(2)23(27)25-14-16-6-8-17(9-7-16)24(28)29/h10-13,15-17H,3-9,14H2,1-2H3,(H,25,27)(H,28,29)/t15?,16-,17-	C24H31NO6	429.506	7	2	101.93	3	10	0	-0.9392	4.50567000000001	3.33	4.277	86.3476	120.0045	3.3154	420.973623125136
Cond-003856	NPD3929	NPD3929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.120463452	Cc1cc(=O)oc2cc(OC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)OCc3ccccc3)c(Cl)cc12	InChI=1S/C29H23ClN2O6/c1-17-11-27(33)37-25-14-26(22(30)13-21(17)25)38-28(34)24(12-19-15-31-23-10-6-5-9-20(19)23)32-29(35)36-16-18-7-3-2-4-8-18/h2-11,13-15,24,31H,12,16H2,1H3,(H,32,35)/t24-/m0/s1	C29H23ClN2O6	530.956	8	2	106.72	5	10	1	0.782099999999999	5.72246000000001	3.66	7.071	57.7177	146.8857	3.72390000000001	457.793245925869
Cond-003857	NPD393	NPD393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.553674454	CCOC(=O)C(=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1)C(=O)OCC	InChI=1S/C26H32N2O4/c1-3-31-24(29)23(25(30)32-4-2)18-12-13-20-22(16-18)28-21-11-6-5-9-17(21)15-19-10-7-8-14-26(19,28)27-20/h12-13,16,19H,3-11,14-15H2,1-2H3	C26H32N2O4	436.543	6	0	68.2	5	6	0	-0.116399999999999	4.67645000000001	3.66	4.658	116.4449	123.752	3.3624	435.168981782314
Cond-003858	NPD3931	NPD3931	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4748823192	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1)c1ccc(C)cc1	InChI=1S/C34H35N5O4/c1-22-7-9-23(10-8-22)31-30-27(26-5-2-3-6-28(26)36-30)21-29-33(41)38(34(42)39(29)31)25-13-11-24(12-14-25)32(40)35-15-4-16-37-17-19-43-20-18-37/h2-3,5-14,29,31,36H,4,15-21H2,1H3,(H,35,40)/t29-,31?/m0/s1	C34H35N5O4	577.673	9	2	97.98	7	8	1	-1.6688	3.66480000000001	4.21	5.658	78.4157	165.8777	4.3138	522.395469807347
Cond-003859	NPD3932	NPD3932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.426977486	CCCCOc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C23H24N2O5/c1-2-3-14-29-16-10-8-15(9-11-16)24-21(27)19-12-13-20(26)25(19)22-17-6-4-5-7-18(17)23(28)30-22/h4-11,19,22H,2-3,12-14H2,1H3,(H,24,27)	C23H24N2O5	408.447	7	1	84.94	4	8	0	-2.306	3.94629000000001	3.22	4.562	53.189	112.6937	3.021	377.354795904474
Cond-003860	NPD3933	NPD3933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7989141363	COc1cc(CNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)ccc1	InChI=1S/C20H19NO6/c1-11-14-6-7-16(22)18(24)19(14)27-20(25)15(11)9-17(23)21-10-12-4-3-5-13(8-12)26-2/h3-8,22,24H,9-10H2,1-2H3,(H,21,23)	C20H19NO6	369.368	7	3	105.09	3	6	0	-0.9333	2.71787	2.89	2.063	48.8201	100.9443	2.6658	335.616767220068
Cond-003861	NPD3934	NPD3934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.9545737399	CCC(NC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C27H27NO6/c1-5-21(26(30)31)28-22(29)12-11-18-14(2)19-13-20-23(17-9-7-6-8-10-17)16(4)33-25(20)15(3)24(19)34-27(18)32/h6-10,13,21H,5,11-12H2,1-4H3,(H,28,29)(H,30,31)	C27H27NO6	461.506	7	2	105.84	4	8	1	0.383700000000001	5.18911000000001	3.66	5.431	68.7344	133.8055	3.4575	428.159283498736
Cond-003862	NPD3935	NPD3935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.5583254705	Cc1cc(O)c2c(oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c2C)c1	InChI=1S/C17H18N2O7/c1-8-3-11(20)16-9(2)10(17(25)26-12(16)4-8)5-13(21)18-6-14(22)19-7-15(23)24/h3-4,20H,5-7H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)	C17H18N2O7	362.334	9	4	142.03	2	8	0	-1.069	0.554500000000001	2.34	-0.357	63.5144	93.552	2.5532	329.408717652796
Cond-003863	NPD3936	NPD3936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.3927904138	CSCC[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(C)C	InChI=1S/C23H36N4O3S/c1-15(2)17-5-7-19(8-6-17)26-21(28)16(3)25-22(29)18-9-12-27(13-10-18)23(30)20(24)11-14-31-4/h5-8,15-16,18,20H,9-14,24H2,1-4H3,(H,25,29)(H,26,28)/t16-,20-/m0/s1	C23H36N4O3S	448.622	7	4	129.83	2	12	1	-2.6253	3.40618	3.11	3.592	93.3419	130.5298	3.6129	443.799180481286
Cond-003864	NPD3937	NPD3937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9279960947	CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1)C(=O)O	InChI=1S/C25H27NO7/c1-5-14(2)23(25(29)30)26-21(27)13-32-20-11-10-18-19(12-22(28)33-24(18)15(20)3)16-6-8-17(31-4)9-7-16/h6-12,14,23H,5,13H2,1-4H3,(H,26,27)(H,29,30)/t14-,23+/m1/s1	C25H27NO7	453.484	8	2	111.16	3	10	0	-0.826299999999998	4.17569000000001	3.33	4.198	69.6433	126.8755	3.386	428.250458349163
Cond-003865	NPD3938	NPD3938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.9122653863	Cc1c2O/C(=C\c3cc4c(OCO4)cc3)/C(=O)c2ccc1OCC(=O)N	InChI=1S/C19H15NO6/c1-10-13(23-8-17(20)21)5-3-12-18(22)16(26-19(10)12)7-11-2-4-14-15(6-11)25-9-24-14/h2-7H,8-9H2,1H3,(H2,20,21)/b16-7-	C19H15NO6	353.325	7	2	97.08	4	4	0	-1.0483	3.53188	2.78	2.15	43.2082	98.9019	2.4163	305.964323893401
Cond-003866	NPD3939	NPD3939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.659903477	Cc1ccccc1[NH+]Cc1cc(=O)oc2cc(c([O-])cc12)c1ccccc1	InChI=1S/C23H19NO3/c1-15-7-5-6-10-20(15)24-14-17-11-23(26)27-22-13-18(21(25)12-19(17)22)16-8-3-2-4-9-16/h2-13,24-25H,14H2,1H3	C23H18NO3	356.394	4	2	65.97	4	4	1	-1.51	5.33909	3.55	6.455	25.5294	110.1054	2.7178	332.604664893585
Cond-003867	NPD394	NPD394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.234598631	[Na+].[Na+].[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)[O-])c1ccccc1)C(=O)[O-]	InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1	C17H16N2Na2O6S	422.363	8	1	154.97	3	6	0	-2.2468	-2.98541	2.34	1.903	59.7722	90.4627	2.5494	326.771056309035
Cond-003868	NPD3940	NPD3940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.313969571	CSCC[C@H](NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)NCC(=O)O	InChI=1S/C21H20N2O5S/c1-29-10-9-16(21(28)22-11-17(24)25)23-20(27)15-8-4-7-14-18(15)12-5-2-3-6-13(12)19(14)26/h2-8,16H,9-11H2,1H3,(H,22,28)(H,23,27)(H,24,25)/t16-/m0/s1	C21H20N2O5S	412.459	7	3	137.87	3	10	0	-1.7156	2.23259	2.89	3.501	56.4471	114.3362	2.9683	370.991850710341
Cond-003869	NPD3941	NPD3941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6963631926	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NC1CCCCC1	InChI=1S/C19H24N2O4S/c1-24-14-9-8-12-15(16(14)25-2)18(23)21-13(10-26-19(12)21)17(22)20-11-6-4-3-5-7-11/h8-9,11,13,19H,3-7,10H2,1-2H3,(H,20,22)/t13-,19?/m0/s1	C19H24N2O4S	376.47	6	1	93.17	4	5	0	-2.2863	2.4045	2.78	2.099	66.4765	102.2277	2.7342	339.335489561246
Cond-003870	NPD3942	NPD3942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6560574451	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(C)C)c1cc(Cl)ccc1	InChI=1S/C30H27ClN4O3/c1-17(2)16-32-28(36)21-11-4-6-13-24(21)35-29(37)25-15-22-20-10-3-5-12-23(20)33-26(22)27(34(25)30(35)38)18-8-7-9-19(31)14-18/h3-14,17,25,27,33H,15-16H2,1-2H3,(H,32,36)/t25-,27?/m0/s1	C30H27ClN4O3	527.013	7	2	85.51	6	6	1	-0.6227	5.22388000000001	3.88	6.276	61.8073	150.2097	3.82270000000001	460.992070866386
Cond-003871	NPD3943	NPD3943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9765494555	CC1Oc2c(cccc2)C=C1/C=C/1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O	InChI=1S/C24H21NO6/c1-15-17(12-16-4-2-3-5-20(16)29-15)13-22-23(26)19-7-6-18(14-21(19)31-22)30-24(27)25-8-10-28-11-9-25/h2-7,12-15H,8-11H2,1H3/b22-13-	C24H21NO6	419.427	7	0	74.3	5	4	0	-0.4696	4.18415000000001	3.33	4.156	65.8863	118.0525	2.9692	377.451329621135
Cond-003872	NPD3945	NPD3945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9784172662	O=N(=O)c1ccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C23H16N2O6/c26-22(24-16-6-8-17(9-7-16)25(28)29)14-30-18-10-11-19-20(15-4-2-1-3-5-15)13-23(27)31-21(19)12-18/h1-13H,14H2,(H,24,26)	C23H16N2O6	416.383	8	1	107.77	4	7	1	-0.2562	4.97406	3.11	6.672	32.8277	119.1777	2.9077	364.699187801835
Cond-003873	NPD3946	NPD3946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4510617525	COc1ccc(CNC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1	InChI=1S/C24H23NO5/c1-13-12-29-22-15(3)23-19(9-18(13)22)14(2)20(24(27)30-23)10-21(26)25-11-16-5-7-17(28-4)8-6-16/h5-9,12H,10-11H2,1-4H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	6	0	1.1172	4.10891	3.44	3.423	56.3142	114.6667	3.0191	370.117561621374
Cond-003874	NPD3947	NPD3947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5421853389	COc1ccc2n(C)c(cc2c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C24H27N3O5/c1-14(2)20(23(29)26-21(24(30)31)15-8-6-5-7-9-15)25-22(28)19-13-16-12-17(32-4)10-11-18(16)27(19)3/h5-14,20-21H,1-4H3,(H,25,28)(H,26,29)(H,30,31)/t20-,21+/m0/s1	C24H27N3O5	437.488	8	3	109.66	3	10	0	-1.187	3.18138	3.22	4.195	58.9262	124.0307	3.3273	404.467540738508
Cond-003875	NPD3948	NPD3948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.2796023779	COc1c(CNC(=O)[C@H](C(C)C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cccc1	InChI=1S/C27H30N4O4/c1-16(2)22(24(32)28-15-17-9-5-8-12-21(17)35-4)31-25(33)27(3)23-19(13-14-30(27)26(31)34)18-10-6-7-11-20(18)29-23/h5-12,16,22,29H,13-15H2,1-4H3,(H,28,32)/t22-,27-/m0/s1	C27H30N4O4	474.552	8	2	94.74	5	7	0	-1.009	3.58508	3.55	3.725	72.4437	137.2787	3.5739	433.849110722114
Cond-003876	NPD3949	NPD3949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0019716184	CCCCc1cc(=O)oc2cc(OC(=O)C(Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C29H29NO6S/c1-3-4-10-22-18-28(31)36-27-19-23(13-16-25(22)27)35-29(32)26(17-21-8-6-5-7-9-21)30-37(33,34)24-14-11-20(2)12-15-24/h5-9,11-16,18-19,26,30H,3-4,10,17H2,1-2H3	C29H29NO6S	519.609	7	1	107.15	4	11	2	-0.8682	5.76828000000001	3.77	8.993	63.026	139.4897	3.8598	478.623818107269
Cond-003877	NPD395	NPD395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9342368415	CCC(C)C(N)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C21H21NO5/c1-3-13(2)19(22)21(24)27-15-9-10-16-17(11-15)25-12-18(20(16)23)26-14-7-5-4-6-8-14/h4-13,19H,3,22H2,1-2H3	C21H21NO5	367.395	6	2	87.85	3	7	1	-2.1734	4.62256	3.11	5.313	48.6544	106.7139	2.748	344.122525145374
Cond-003878	NPD3950	NPD3950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.3816349494	CCOc1c(cccc1OC)C1CN2C(c3c1c1ccccc1[nH]3)c1c(cccc1)C2=O	InChI=1S/C27H24N2O3/c1-3-32-26-17(12-8-14-22(26)31-2)20-15-29-25(16-9-4-5-10-18(16)27(29)30)24-23(20)19-11-6-7-13-21(19)28-24/h4-14,20,25,28H,3,15H2,1-2H3	C27H24N2O3	424.491	5	1	54.56	6	4	1	-0.981500000000001	4.89250000000001	3.88	5.738	41.3499	126.021	3.164	377.172446203619
Cond-003879	NPD3951	NPD3951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3163080635	COCCNC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O	InChI=1S/C23H27NO5/c1-13-15(8-9-20(25)24-10-11-27-3)23(26)29-21-14(2)22-18(12-17(13)21)16-6-4-5-7-19(16)28-22/h12H,4-11H2,1-3H3,(H,24,25)	C23H27NO5	397.464	6	1	77.77	4	7	0	0.291200000000001	4.05298000000001	3.33	2.655	75.5301	115.2497	3.0072	371.630953097908
Cond-003880	NPD3952	NPD3952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2722111136	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NC3CC3)cc2O1	InChI=1S/C22H25NO5/c1-22(2)9-8-15-16(28-22)10-17(26-11-18(24)23-12-6-7-12)19-13-4-3-5-14(13)21(25)27-20(15)19/h10,12H,3-9,11H2,1-2H3,(H,23,24)	C22H25NO5	383.438	6	1	73.86	5	5	0	-1.0368	4.35686000000001	3.22	2.656	74.3605	108.8387	2.8007	355.514968472041
Cond-003881	NPD3953	NPD3953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0626261619	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2c(C)ccc(Cl)c2)cc1	InChI=1S/C23H21ClN4O4/c1-11-3-4-12(24)9-17(11)28-22(30)18(21(29)27-23(28)31)20-19-14(7-8-25-20)15-10-13(32-2)5-6-16(15)26-19/h3-6,9-10,20,25-26,29H,7-8H2,1-2H3,(H,27,31)	C23H21ClN4O4	452.89	8	4	110.18	5	3	0	0.677699999999998	3.99688	3	2.941	62.9315	126.7683	3.1327	379.87623998908
Cond-003882	NPD3954	NPD3954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6089165064	Cc1c2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2cc2c1occ2c1ccc(F)cc1	InChI=1S/C30H24FNO6/c1-16-21-13-23-24(19-8-10-20(31)11-9-19)15-37-27(23)17(2)28(21)38-30(36)22(16)14-26(33)32-25(29(34)35)12-18-6-4-3-5-7-18/h3-11,13,15,25H,12,14H2,1-2H3,(H,32,33)(H,34,35)/t25-/m0/s1	C30H24FNO6	513.513	7	2	105.84	5	8	1	0.660599999999999	5.76199000000001	3.88	6.576	55.0641	142.9325	3.6603	454.948961423442
Cond-003883	NPD3955	NPD3955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.657543029	COC(=O)c1ccc2c(=O)n(CCc3c[nH]c4c3cc(OC)cc4)c(S)nc2c1	InChI=1S/C21H19N3O4S/c1-27-14-4-6-17-16(10-14)13(11-22-17)7-8-24-19(25)15-5-3-12(20(26)28-2)9-18(15)23-21(24)29/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,29)	C21H19N3O4S	409.458	7	1	122.79	4	6	0	0.2355	3.36827	2.89	3.09	54.101	118.7635	2.9008	349.941925517146
Cond-003884	NPD3956	NPD3956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.0844958743	CCCC(NC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C26H25NO6/c1-3-7-21(25(29)30)27-24(28)11-10-17-15(2)18-12-19-20(16-8-5-4-6-9-16)14-32-22(19)13-23(18)33-26(17)31/h4-6,8-9,12-14,21H,3,7,10-11H2,1-2H3,(H,27,28)(H,29,30)	C26H25NO6	447.48	7	2	105.84	4	9	1	-0.9858	5.54237000000001	3.55	5.391	60.4114	128.7135	3.3166	410.863298872869
Cond-003885	NPD3957	NPD3957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1249815842	COc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccc(OC)cc1	InChI=1S/C26H23NO5/c1-16-25-18(14-27(15-31-25)19-6-10-21(30-3)11-7-19)12-23-22(13-24(28)32-26(16)23)17-4-8-20(29-2)9-5-17/h4-13H,14-15H2,1-3H3	C26H23NO5	429.465	6	0	57.23	5	4	1	0.488999999999999	5.73408	3.66	5.251	48.912	126.699	3.1493	389.716613471508
Cond-003886	NPD3958	NPD3958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6266435128	Cc1cc(Cl)c(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C20H17ClN2O4/c1-11-6-7-15(14(21)10-11)22-18(25)16-8-9-17(24)23(16)19-12-4-2-3-5-13(12)20(26)27-19/h2-7,10,16,19H,8-9H2,1H3,(H,22,25)/t16-,19?/m0/s1	C20H17ClN2O4	384.813	6	1	75.71	4	4	0	-0.2525	3.44881	2.89	4.075	46.2535	100.9407	2.662	331.887683096746
Cond-003887	NPD3959	NPD3959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.8347928184	CC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C23H26N4O5/c1-14(2)20(21(29)25-17(22(30)31)12-15-8-4-3-5-9-15)26-23(32)27-13-19(28)24-16-10-6-7-11-18(16)27/h3-11,14,17,20H,12-13H2,1-2H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/t17-,20+/m1/s1	C23H26N4O5	438.476	9	4	131.33	3	10	0	-1.4646	3.29957	3	4.645	63.4206	124.864	3.2862	409.068316320808
Cond-003888	NPD396	NPD396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7038278573	Cc1cc(O)c(c(=O)o1)C1=Nc2c(SC(C1)c1cc3c(OCO3)cc1)cccc2	InChI=1S/C22H17NO5S/c1-12-8-16(24)21(22(25)28-12)15-10-20(29-19-5-3-2-4-14(19)23-15)13-6-7-17-18(9-13)27-11-26-17/h2-9,20,24H,10-11H2,1H3	C22H17NO5S	407.439	6	1	102.65	5	2	0	0.245199999999999	5.14125	3.11	4.187	62.1903	113.6218	2.7922	352.578157726441
Cond-003889	NPD3960	NPD3960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0337981093	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NC3CCCCCC3)c1C)c2	InChI=1S/C23H27NO4/c1-14-13-27-20-12-21-19(11-18(14)20)15(2)17(23(26)28-21)9-10-22(25)24-16-7-5-3-4-6-8-16/h11-13,16H,3-10H2,1-2H3,(H,24,25)	C23H27NO4	381.465	5	1	68.54	4	5	0	-1.2006	5.32449000000001	3.44	4.046	64.517	111.1917	2.9485	362.840726397347
Cond-003890	NPD3961	NPD3961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8899847133	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O)C(=O)O	InChI=1S/C26H30N2O7/c1-12(2)22(25(31)32)28-21(30)11-27-20(29)10-17-13(3)16-9-18-15-7-5-6-8-19(15)34-24(18)14(4)23(16)35-26(17)33/h9,12,22H,5-8,10-11H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)/t22-/m0/s1	C26H30N2O7	482.526	9	3	134.94	4	9	0	-0.403200000000003	3.24188	3.33	2.411	90.7379	133.1612	3.5611	446.823203183197
Cond-003891	NPD3962	NPD3962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.4902219676	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCCN(C)C)c(=O)cc12)NC(=O)C	InChI=1S/C26H35N3O5/c1-16(30)28-20-10-8-17-14-23(32-4)25(33-5)26(34-6)24(17)18-9-11-21(22(31)15-19(18)20)27-12-7-13-29(2)3/h9,11,14-15,20H,7-8,10,12-13H2,1-6H3,(H,27,31)(H,28,30)/t20-/m0/s1	C26H35N3O5	469.573	8	2	89.13	3	10	0	-1.3288	2.38456	3.44	1.654	109.0298	133.9884	3.6951	466.132427391842
Cond-003892	NPD3963	NPD3963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6870951055	COc1cc(CN2COc3c(C2)cc2c(C)c(C)c(=O)oc2c3C)cc(OC)c1OC	InChI=1S/C24H27NO6/c1-13-14(2)24(26)31-22-15(3)21-17(9-18(13)22)11-25(12-30-21)10-16-7-19(27-4)23(29-6)20(8-16)28-5/h7-9H,10-12H2,1-6H3	C24H27NO6	425.474	7	0	66.46	4	5	0	1.6439	4.23339000000001	3.33	2.818	70.7992	119.882	3.1638	395.080705723536
Cond-003893	NPD3965	NPD3965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6036356451	[C@@H]1(C(=O)N[C@H](C(=O)O)Cc2c[nH]c3c2cccc3)C(C)(C)SC2c3c(cccc3)C(=O)N12	InChI=1S/C24H23N3O4S/c1-24(2)19(27-21(29)15-8-3-4-9-16(15)22(27)32-24)20(28)26-18(23(30)31)11-13-12-25-17-10-6-5-7-14(13)17/h3-10,12,18-19,22,25H,11H2,1-2H3,(H,26,28)(H,30,31)/t18-,19+,22?/m0/s1	C24H23N3O4S	449.522	7	3	127.8	5	6	0	-0.8647	3.14448	3.22	4.045	61.6523	126.318	3.2149	389.473420693947
Cond-003894	NPD3966	NPD3966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7069208012	CCOc1ccc(cc1)n1c(O)nc(O)c(C2N(CC)CCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C25H26N4O4/c1-3-28-14-13-18-17-7-5-6-8-19(17)26-21(18)22(28)20-23(30)27-25(32)29(24(20)31)15-9-11-16(12-10-15)33-4-2/h5-12,22,26,30H,3-4,13-14H2,1-2H3,(H,27,32)	C25H26N4O4	446.498	8	3	101.39	5	5	0	0.328100000000001	4.38315000000001	3.33	4.029	65.6961	131.7136	3.2921	399.25714147038
Cond-003895	NPD3968	NPD3968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.3499887856	C1(OC(=O)CCC(=O)NCCCC(=O)NC(Cc2ccccc2)C(=O)O)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3	InChI=1S/C32H44N2O10/c1-19-11-12-23-20(2)29(41-30-32(23)22(19)15-16-31(3,42-30)43-44-32)40-27(37)14-13-25(35)33-17-7-10-26(36)34-24(28(38)39)18-21-8-5-4-6-9-21/h4-6,8-9,19-20,22-24,29-30H,7,10-18H2,1-3H3,(H,33,35)(H,34,36)(H,38,39)/t19-,20?,22+,23?,24?,29?,30+,31?,32?/m1/s1	C32H44N2O10	616.699	12	3	158.72	4	15	3	-1.1582	3.46019000000001	3.66	5.576	116.8923	157.3532	4.56	580.786249740879
Cond-003896	NPD3969	NPD3969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.743358051	Clc1cccc(c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C23H16ClNO3/c24-16-7-4-8-17(11-16)25-13-20-21(27-14-25)10-9-18-19(12-22(26)28-23(18)20)15-5-2-1-3-6-15/h1-12H,13-14H2	C23H16ClNO3	389.831	4	0	38.77	5	2	1	0.6949	6.34226	3.44	7.178	34.3939	114.965	2.7316	335.459273963218
Cond-003897	NPD397	NPD397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.8949671772	CCCCNC(=O)OC[C@@]12COC(C([C@H]1C)C(=CC2C)C)c1cccnc1	InChI=1S/C22H32N2O3/c1-5-6-10-24-21(25)27-14-22-13-26-20(18-8-7-9-23-12-18)19(17(22)4)15(2)11-16(22)3/h7-9,11-12,16-17,19-20H,5-6,10,13-14H2,1-4H3,(H,24,25)/t16?,17-,19?,20?,22-/m1/s1	C22H32N2O3	372.501	5	1	60.45	3	8	0	-0.00150000000000106	3.69698	3.33	4.17	77.5329	107.0027	3.0433	376.280651381486
Cond-003898	NPD3970	NPD3970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.949888365	CCCC(NC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1)C(=O)O	InChI=1S/C24H25NO7/c1-4-5-19(24(28)29)25-21(26)13-31-20-11-10-17-18(12-22(27)32-23(17)14(20)2)15-6-8-16(30-3)9-7-15/h6-12,19H,4-5,13H2,1-3H3,(H,25,26)(H,28,29)	C24H25NO7	439.458	8	2	111.16	3	10	0	-1.2477	3.92969000000001	3.22	3.901	64.0196	122.3285	3.2451	410.954473723297
Cond-003899	NPD3971	NPD3971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.688782626	CCC(NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C21H25NO7/c1-5-13(20(25)26)22-16(23)10-27-15-9-14-12(6-7-21(3,4)29-14)19-18(15)11(2)8-17(24)28-19/h8-9,13H,5-7,10H2,1-4H3,(H,22,23)(H,25,26)	C21H25NO7	403.426	8	2	111.16	3	7	0	-0.149900000000002	3.52346	2.89	2.179	78.4965	110.4115	2.9514	377.875895948096
Cond-003900	NPD3972	NPD3972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6628582685	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(N3CCN(CC3)c3ccccc3)c(=O)cc12)NC(=O)C	InChI=1S/C31H35N3O5/c1-20(35)32-25-12-10-21-18-28(37-2)30(38-3)31(39-4)29(21)23-11-13-26(27(36)19-24(23)25)34-16-14-33(15-17-34)22-8-6-5-7-9-22/h5-9,11,13,18-19,25H,10,12,14-17H2,1-4H3,(H,32,35)/t25-/m0/s1	C31H35N3O5	529.627	8	1	80.34	5	7	0	-0.788599999999998	4.19255000000001	3.99	3.883	103.7472	153.4667	4.0534	509.090057017175
Cond-003901	NPD3973	NPD3973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9557133698	COc1cccc(c1)C(=O)Nc1c(c(=O)c2ccccc2o1)c1ccc(OC)c(OC)c1	InChI=1S/C25H21NO6/c1-29-17-8-6-7-16(13-17)24(28)26-25-22(15-11-12-20(30-2)21(14-15)31-3)23(27)18-9-4-5-10-19(18)32-25/h4-14H,1-3H3,(H,26,28)	C25H21NO6	431.437	7	1	83.09	4	7	1	-0.9266	4.37277	3.44	5.139	43.4933	122.3472	3.1327	390.930855546202
Cond-003902	NPD3975	NPD3975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.848988886	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NC1CCCCC1)c1ccc(OC)cc1	InChI=1S/C33H32N4O4/c1-41-24-17-13-20(14-18-24)30-29-26(25-9-5-6-10-27(25)35-29)19-28-32(39)36(33(40)37(28)30)23-15-11-21(12-16-23)31(38)34-22-7-3-2-4-8-22/h5-6,9-18,22,28,30,35H,2-4,7-8,19H2,1H3,(H,34,38)/t28-,30?/m0/s1	C33H32N4O4	548.632	8	2	94.74	7	6	1	-3.4937	5.25578000000001	4.21	6.275	62.4834	158.9197	4.07310000000001	494.102724973314
Cond-003903	NPD3976	NPD3976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.1969422901	COc1c(OC)c(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C)C(=O)O)c3)C2=O)cc1	InChI=1S/C23H23NO9/c1-12(23(27)28)24-19(25)11-32-14-6-7-15-17(10-14)33-18(20(15)26)9-13-5-8-16(29-2)22(31-4)21(13)30-3/h5-10,12H,11H2,1-4H3,(H,24,25)(H,27,28)/b18-9-/t12-/m0/s1	C23H23NO9	457.43	10	2	129.62	3	10	0	-1.8886	3.34946	2.89	2.093	68.6222	122.514	3.2216	411.238942498552
Cond-003904	NPD3977	NPD3977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4594861173	CCOC(=O)Oc1ccc2c(=O)c(c(C)oc2c1)c1ccc(OC)cc1	InChI=1S/C20H18O6/c1-4-24-20(22)26-15-9-10-16-17(11-15)25-12(2)18(19(16)21)13-5-7-14(23-3)8-6-13/h5-11H,4H2,1-3H3	C20H18O6	354.353	6	0	71.06	3	6	0	0.6076	4.65366	3	4.564	46.0731	100.5525	2.566	324.620007011902
Cond-003905	NPD3978	NPD3978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6643487695	COc1ccc(cc1)c1coc2c(C[NH+]3CCCC3)c([O-])ccc2c1=O	InChI=1S/C21H21NO4/c1-25-15-6-4-14(5-7-15)18-13-26-21-16(20(18)24)8-9-19(23)17(21)12-22-10-2-3-11-22/h4-9,13,23H,2-3,10-12H2,1H3	C21H21NO4	351.396	5	1	63.03	4	4	0	-3.4977	1.56538	3.22	2.883	42.5809	98.9827	2.6237	325.612298444813
Cond-003906	NPD3979	NPD3979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.1642460327	COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1	InChI=1S/C24H20O5/c1-16-24(29-19-10-8-18(26-2)9-11-19)23(25)21-13-12-20(14-22(21)28-16)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3	C24H20O5	388.413	5	0	53.99	4	6	1	-0.752599999999999	5.71646	3.55	6.935	36.9378	114.614	2.8763	356.484342712407
Cond-003907	NPD398	NPD398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	60.3656384556	CCCc1cc2c(oc(CC)c(c2=O)c2cc3c(OCO3)cc2)cc1OC(=O)CC	InChI=1S/C24H24O6/c1-4-7-14-10-16-20(12-19(14)30-22(25)6-3)29-17(5-2)23(24(16)26)15-8-9-18-21(11-15)28-13-27-18/h8-12H,4-7,13H2,1-3H3	C24H24O6	408.444	6	0	71.06	4	7	1	-1.3112	6.63315	3.44	5.209	62.089	119.4615	3.021	381.447486814569
Cond-003908	NPD3980	NPD3980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3807988092	CCCCCCc1c(C)c2ccc(OC(C)C(=O)NCC(=O)O)c(C)c2oc1=O	InChI=1S/C22H29NO6/c1-5-6-7-8-9-17-13(2)16-10-11-18(14(3)20(16)29-22(17)27)28-15(4)21(26)23-12-19(24)25/h10-11,15H,5-9,12H2,1-4H3,(H,23,26)(H,24,25)	C22H29NO6	403.469	7	2	101.93	2	11	1	-1.1051	4.13501000000001	3.11	4.226	77.6482	113.3755	3.1422	398.738112574202
Cond-003909	NPD3981	NPD3981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.626374675	[C@H]12CCCCN1C[C@H]1C[C@H]2C=C2CCCN(C(=S)Nc3ccc(CC(=O)OC)cc3)[C@@H]12	InChI=1S/C25H33N3O2S/c1-30-23(29)13-17-7-9-21(10-8-17)26-25(31)28-12-4-5-18-14-19-15-20(24(18)28)16-27-11-3-2-6-22(19)27/h7-10,14,19-20,22,24H,2-6,11-13,15-16H2,1H3,(H,26,31)/t19-,20-,22-,24-/m1/s1	C25H33N3O2S	439.613	5	1	76.9	5	6	0	-1.1026	4.15398	3.55	4.174	94.3828	129.9757	3.4104	421.534786721892
Cond-003910	NPD3982	NPD3982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3995257854	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1	InChI=1S/C27H33N3O3S/c1-17(2)16-21(23(31)28-15-14-18-10-6-5-7-11-18)29-24(32)22-27(3,4)34-26-20-13-9-8-12-19(20)25(33)30(22)26/h5-13,17,21-22,26H,14-16H2,1-4H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1	C27H33N3O3S	479.634	6	2	103.81	4	10	1	0.193999999999999	3.6068	3.66	7.094	81.5927	137.8614	3.7305	458.464065272586
Cond-003911	NPD3983	NPD3983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.406779661	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(C2)c1cccc(Cl)c1Cl	InChI=1S/C22H15Cl2NO3/c1-12-20-13(10-25(11-27-20)18-8-4-7-17(23)19(18)24)9-16-14-5-2-3-6-15(14)22(26)28-21(12)16/h2-9H,10-11H2,1H3	C22H15Cl2NO3	412.265	4	0	38.77	5	1	1	1.9157	6.83819	3.22	6.148	36.4882	116.578	2.7561	336.010815808585
Cond-003912	NPD3984	NPD3984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.8672479671	CCCCc1ccc(cc1)N1COc2ccc3c4c(CCCC4)c(=O)oc3c2C1	InChI=1S/C25H27NO3/c1-2-3-6-17-9-11-18(12-10-17)26-15-22-23(28-16-26)14-13-20-19-7-4-5-8-21(19)25(27)29-24(20)22/h9-14H,2-8,15-16H2,1H3	C25H27NO3	389.487	4	0	38.77	5	4	1	-1.0518	6.92736000000001	3.77	6.924	59.7746	120.434	3.02	373.649551546919
Cond-003913	NPD3985	NPD3985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5942360587	Cc1cc(OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C35H31NO6/c1-23-18-30-32(24(2)28(33(37)41-30)20-25-12-6-3-7-13-25)31(19-23)42-34(38)29(21-26-14-8-4-9-15-26)36-35(39)40-22-27-16-10-5-11-17-27/h3-19,29H,20-22H2,1-2H3,(H,36,39)/t29-/m1/s1	C35H31NO6	561.624	7	1	90.93	5	12	2	1.4675	5.85220000000001	4.54	12.251	57.7602	161.9477	4.26110000000001	530.08840830087
Cond-003914	NPD3986	NPD3986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5619906796	CCCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(Cl)cc3)cc2oc1=O)C(=O)O	InChI=1S/C25H22ClNO6/c1-3-4-20(24(29)30)27-23(28)10-17-13(2)16-9-18-19(14-5-7-15(26)8-6-14)12-32-21(18)11-22(16)33-25(17)31/h5-9,11-12,20H,3-4,10H2,1-2H3,(H,27,28)(H,29,30)	C25H22ClNO6	467.898	7	2	105.84	4	8	0	-0.303900000000001	5.80567000000001	3.33	4.263	61.1616	129.1065	3.2981	408.778382017435
Cond-003915	NPD3987	NPD3987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3024313879	CCC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O	InChI=1S/C20H27N5O6/c1-3-11(2)17(18(28)23-13(19(29)30)8-9-15(21)26)24-20(31)25-10-16(27)22-12-6-4-5-7-14(12)25/h4-7,11,13,17H,3,8-10H2,1-2H3,(H2,21,26)(H,22,27)(H,23,28)(H,24,31)(H,29,30)/t11?,13-,17-/m0/s1	C20H27N5O6	433.458	11	6	174.42	2	12	2	-3.0912	1.71247	2.45	0.696	76.5353	117.7634	3.2166	405.496725454336
Cond-003916	NPD3988	NPD3988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.73329388	CCOC(=O)N1CCN(Cc2cc(=O)oc3c2cc2OCOc2c3)CC1	InChI=1S/C18H20N2O6/c1-2-23-18(22)20-5-3-19(4-6-20)10-12-7-17(21)26-14-9-16-15(8-13(12)14)24-11-25-16/h7-9H,2-6,10-11H2,1H3	C18H20N2O6	360.361	8	0	77.54	4	5	0	0.111600000000001	2.54456	2.56	0.936	68.0295	97.515	2.5042	318.474475578102
Cond-003917	NPD3989	NPD3989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5126224238	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2c(F)cccc2)cc1	InChI=1S/C22H19FN4O4/c1-31-11-6-7-15-13(10-11)12-8-9-24-19(18(12)25-15)17-20(28)26-22(30)27(21(17)29)16-5-3-2-4-14(16)23/h2-7,10,19,24-25,28H,8-9H2,1H3,(H,26,30)	C22H19FN4O4	422.409	8	4	110.18	5	3	0	-0.2289	3.39985	2.89	2.692	52.6863	117.8103	2.8871	353.436746443086
Cond-003918	NPD399	NPD399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7347612827	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(Cl)C4C(=O)C)C3CC=C2C1	InChI=1S/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3/t16?,17?,18?,19?,20?,21?,22-,23-/m0/s1	C23H33ClO3	392.959	3	0	43.37	4	3	1	1.0784	5.46348	3.55	5.432	105.0886	109.425	3.0844	390.610642062252
Cond-003919	NPD3990	NPD3990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7024303497	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C27H31N3O5S/c1-5-15(2)21(23(31)28-13-16-10-11-19-20(12-16)35-14-34-19)29-24(32)22-27(3,4)36-26-18-9-7-6-8-17(18)25(33)30(22)26/h6-12,15,21-22,26H,5,13-14H2,1-4H3,(H,28,31)(H,29,32)/t15?,21-,22+,26?/m0/s1	C27H31N3O5S	509.617	8	2	122.27	5	9	0	-1.2961	3.45429	3.44	4.509	83.239	140.4224	3.7393	463.688059972908
Cond-003920	NPD3991	NPD3991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.587936011	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1	InChI=1S/C36H32N4O3/c1-22-15-17-24(18-16-22)21-37-34(41)30(19-23-9-3-2-4-10-23)39-35(42)31-20-28-25-11-7-8-14-29(25)38-32(28)33-26-12-5-6-13-27(26)36(43)40(31)33/h2-18,30-31,33,38H,19-21H2,1H3,(H,37,41)(H,39,42)/t30-,31-,33?/m0/s1	C36H32N4O3	568.664	7	3	94.3	7	9	1	-1.911	3.95881000000001	4.65	9.523	55.6131	166.5504	4.30810000000001	518.391076047952
Cond-003921	NPD3992	NPD3992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8862582377	[C@H]1(CSC2N1C(=O)c1c2ccc(OC)c1OC)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C23H23N3O4S/c1-29-18-8-7-15-19(20(18)30-2)22(28)26-17(12-31-23(15)26)21(27)24-10-9-13-11-25-16-6-4-3-5-14(13)16/h3-8,11,17,23,25H,9-10,12H2,1-2H3,(H,24,27)/t17-,23?/m0/s1	C23H23N3O4S	437.511	7	2	108.96	5	7	0	-0.9491	2.71909	3.11	2.558	60.9846	123.6977	3.117	374.81389476888
Cond-003922	NPD3993	NPD3993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5323178263	COc1cccc(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2c(OC)cccc2)c1	InChI=1S/C30H29N3O4/c1-30-28-27(22-12-4-6-13-24(22)31-28)23(21-11-5-7-14-25(21)37-3)17-33(30)26(34)18-32(29(30)35)16-19-9-8-10-20(15-19)36-2/h4-15,23,31H,16-18H2,1-3H3/t23?,30-/m0/s1	C30H29N3O4	495.569	7	1	74.87	6	5	0	-1.8519	3.93139000000001	3.99	4.739	58.4094	143.133	3.7022	446.210928289147
Cond-003923	NPD3994	NPD3994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	87.3810345678	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(Cc1ccccc1)C2=O	InChI=1S/C29H23ClN4O3/c30-18-10-11-22-20(13-18)29(28(37)32-22)25-24(26(35)34(27(25)36)15-16-6-2-1-3-7-16)23(33-29)12-17-14-31-21-9-5-4-8-19(17)21/h1-11,13-14,23-25,31,33H,12,15H2,(H,32,37)/t23?,24-,25+,29?/m1/s1	C29H23ClN4O3	510.971	7	3	94.3	7	4	0	-2.0403	4.11598	3.77	4.846	54.5618	143.3564	3.57320000000001	431.339627539719
Cond-003924	NPD3995	NPD3995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4140295875	Cc1c2oc(=O)c3c(CCCC3)c2ccc1OCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C24H29NO6/c1-14-20(11-10-18-17-4-2-3-5-19(17)24(29)31-22(14)18)30-13-21(26)25-12-15-6-8-16(9-7-15)23(27)28/h10-11,15-16H,2-9,12-13H2,1H3,(H,25,26)(H,27,28)/t15-,16-	C24H29NO6	427.49	7	2	101.93	4	7	0	-0.470999999999999	4.45469000000001	3.33	3.03	85.0119	119.2625	3.2068	408.617164424336
Cond-003925	NPD3996	NPD3996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4454565652	COc1cc(OC)c(cc1)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O	InChI=1S/C22H16O7/c1-25-14-7-8-16(20(11-14)26-2)17-10-13-5-6-15(12-19(13)29-21(17)23)28-22(24)18-4-3-9-27-18/h3-12H,1-2H3	C22H16O7	392.358	7	0	84.2	4	6	0	-0.167699999999999	4.65396	3.11	4.401	37.9326	108.45	2.7119	339.472826861796
Cond-003926	NPD3997	NPD3997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1004980522	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(C2=O)c1ccccc1	InChI=1S/C29H24N4O3/c1-16-11-12-22-20(13-16)29(28(36)31-22)25-24(26(34)33(27(25)35)18-7-3-2-4-8-18)23(32-29)14-17-15-30-21-10-6-5-9-19(17)21/h2-13,15,23-25,30,32H,14H2,1H3,(H,31,36)/t23?,24-,25+,29?/m1/s1	C29H24N4O3	476.526	7	3	94.3	7	3	0	-2.1542	4.36159000000001	3.88	4.919	49.7361	140.1024	3.45080000000001	416.128559769286
Cond-003927	NPD3998	NPD3998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5869511288	COc1ccc(CCNC(=O)C2N3C(SC2(C)C)c2c(C3=O)c(OC)c(OC)cc2)cc1	InChI=1S/C24H28N2O5S/c1-24(2)20(21(27)25-13-12-14-6-8-15(29-3)9-7-14)26-22(28)18-16(23(26)32-24)10-11-17(30-4)19(18)31-5/h6-11,20,23H,12-13H2,1-5H3,(H,25,27)	C24H28N2O5S	456.555	7	1	102.4	4	8	0	0.00199999999999845	3.1017	3.22	3.152	74.0562	126.1317	3.3684	415.796263288741
Cond-003928	NPD3999	NPD3999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.731551114	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(C)cc1)c1cc(Cl)ccc1	InChI=1S/C34H27ClN4O3/c1-20-13-15-21(16-14-20)19-36-32(40)25-10-3-5-12-28(25)39-33(41)29-18-26-24-9-2-4-11-27(24)37-30(26)31(38(29)34(39)42)22-7-6-8-23(35)17-22/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O3	575.056	7	2	85.51	7	6	1	-0.5536	5.45660000000001	4.32	8.429	53.0416	163.5347	4.14870000000001	499.010174566653
Cond-003929	NPD4	NPD4	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6516634051	COc1c(OC)cc(cc1)C1CC(=Nc2c(S1)cccc2)c1c(O)cc(C)oc1=O	InChI=1S/C23H21NO5S/c1-13-10-17(25)22(23(26)29-13)16-12-21(30-20-7-5-4-6-15(20)24-16)14-8-9-18(27-2)19(11-14)28-3/h4-11,21,25H,12H2,1-3H3	C23H21NO5S	423.482	6	1	102.65	4	4	0	0.444299999999998	4.92896	3.22	4.26	69.3498	118.5418	3.0417	382.230601053107
Cond-003930	NPD40	NPD40	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.205153865	COc1c(OC)cc2c(CN(C/C=C/c3ccccc3)CC32CCOCC3)c1	InChI=1S/C24H29NO3/c1-26-22-15-20-17-25(12-6-9-19-7-4-3-5-8-19)18-24(10-13-28-14-11-24)21(20)16-23(22)27-2/h3-9,15-16H,10-14,17-18H2,1-2H3/b9-6+	C24H29NO3	379.492	4	0	30.93	4	5	1	0.422699999999999	4.25958000000001	3.66	5.756	64.5524	112.273	3.0307	371.346484322652
Cond-003931	NPD400	NPD400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.392195313	O=C(NC(Cc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1)OCc1ccccc1	InChI=1S/C26H21NO6/c28-24-14-12-20-11-13-21(16-23(20)33-24)32-25(29)22(15-18-7-3-1-4-8-18)27-26(30)31-17-19-9-5-2-6-10-19/h1-14,16,22H,15,17H2,(H,27,30)	C26H21NO6	443.448	7	1	90.93	4	10	1	0.0117999999999996	4.27437	3.55	8.314	44.5201	123.9287	3.23060000000001	405.590381471269
Cond-003932	NPD4000	NPD4000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8456872318	CCOC(=O)c1c(c(=O)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2o1)c1c(OC)cccc1	InChI=1S/C27H21ClO7/c1-3-33-27(31)26-24(19-6-4-5-7-22(19)32-2)25(30)20-13-12-18(14-23(20)35-26)34-15-21(29)16-8-10-17(28)11-9-16/h4-14H,3,15H2,1-2H3	C27H21ClO7	492.904	7	0	88.13	4	9	1	-0.2581	5.71177	3.55	5.952	56.132	133.467	3.4528	435.890900359963
Cond-003933	NPD4002	NPD4002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5154200034	CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNC(=O)OCc3ccccc3)c12	InChI=1S/C24H25NO6/c1-3-7-18-14-22(27)31-20-13-16(2)12-19(23(18)20)30-21(26)10-11-25-24(28)29-15-17-8-5-4-6-9-17/h4-6,8-9,12-14H,3,7,10-11,15H2,1-2H3,(H,25,28)	C24H25NO6	423.458	7	1	90.93	3	11	2	0.424999999999999	4.25149000000001	3.33	6.099	63.551	116.9697	3.1864	402.164247022736
Cond-003934	NPD4003	NPD4003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	18.7603547413	CCCCCCc1c(C)c2c(oc1=O)c(C)c(OC(C)C(=O)NC[C@H]1CCC(CC1)C(=O)O)cc2	InChI=1S/C28H39NO6/c1-5-6-7-8-9-23-17(2)22-14-15-24(18(3)25(22)35-28(23)33)34-19(4)26(30)29-16-20-10-12-21(13-11-20)27(31)32/h14-15,19-21H,5-13,16H2,1-4H3,(H,29,30)(H,31,32)/t19?,20-,21?	C28H39NO6	485.612	7	2	101.93	3	12	2	-0.320100000000001	6.25949000000001	3.77	5.708	102.03	139.8225	3.879	490.157561628603
Cond-003935	NPD4004	NPD4004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3199430339	Clc1cc(cc(Cl)c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C23H15Cl2NO3/c24-15-8-16(25)10-17(9-15)26-12-20-21(28-13-26)7-6-18-19(11-22(27)29-23(18)20)14-4-2-1-3-5-14/h1-11H,12-13H2	C23H15Cl2NO3	424.276	4	0	38.77	5	2	1	1.4392	6.99566	3.33	7.274	40.0095	119.975	2.854	350.670341733652
Cond-003936	NPD4005	NPD4005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1842993325	CCc1cc(=O)oc2c3CN(Cc4c(OC)cccc4)COc3ccc12	InChI=1S/C21H21NO4/c1-3-14-10-20(23)26-21-16(14)8-9-19-17(21)12-22(13-25-19)11-15-6-4-5-7-18(15)24-2/h4-10H,3,11-13H2,1-2H3	C21H21NO4	351.396	5	0	48	4	4	0	0.217300000000001	4.74367000000001	3.22	4.088	51.1568	105.465	2.6237	325.612298444813
Cond-003937	NPD4006	NPD4006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0683465654	Cc1c(CC(=O)NCC2CC[C@@H](CC2)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C28H26FNO6/c1-15-20-10-22-23(17-6-8-19(29)9-7-17)14-35-24(22)12-25(20)36-28(34)21(15)11-26(31)30-13-16-2-4-18(5-3-16)27(32)33/h6-10,12,14,16,18H,2-5,11,13H2,1H3,(H,30,31)(H,32,33)/t16?,18-	C28H26FNO6	491.508	7	2	105.84	5	7	0	0.696500000000002	5.92907000000001	3.66	4.155	70.3176	135.6735	3.5075	439.166368274109
Cond-003938	NPD4007	NPD4007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8694179472	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NC(C)CCc1ccccc1)c1ccccc1	InChI=1S/C36H32N4O3/c1-23(20-21-24-12-4-2-5-13-24)37-34(41)27-17-9-11-19-30(27)40-35(42)31-22-28-26-16-8-10-18-29(26)38-32(28)33(39(31)36(40)43)25-14-6-3-7-15-25/h2-19,23,31,33,38H,20-22H2,1H3,(H,37,41)/t23?,31-,33?/m0/s1	C36H32N4O3	568.664	7	2	85.51	7	8	1	-2.1762	5.93578000000001	4.65	10.452	54.2853	169.7197	4.30810000000001	518.391076047952
Cond-003939	NPD4009	NPD4009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4412171508	CSCC[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O	InChI=1S/C18H22ClN3O4S/c1-10(16(23)21-13(18(25)26)6-7-27-3)20-17(24)15-9-11-8-12(19)4-5-14(11)22(15)2/h4-5,8-10,13H,6-7H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,13-/m0/s1	C18H22ClN3O4S	411.903	7	3	125.73	2	10	0	-0.496	2.91158	2.45	2.566	69.9709	111.7067	2.9467	356.78733291398
Cond-003940	NPD401	NPD401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.9416654584	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(cc3)C(=O)O)ccc12	InChI=1S/C25H20O5/c1-16-21-12-11-20(29-15-18-7-9-19(10-8-18)24(26)27)14-23(21)30-25(28)22(16)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,26,27)	C25H20O5	400.423	5	1	72.83	4	6	1	0.701399999999999	5.02868	3.66	7.177	37.8238	116.8768	2.9742	371.143868637474
Cond-003941	NPD4010	NPD4010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9864822459	C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](CCCNC(=O)N)C(=O)O	InChI=1S/C26H30N6O7/c1-15(21(33)30-19(24(36)37)12-7-13-28-25(27)38)29-22(34)20(14-16-8-3-2-4-9-16)32-23(35)17-10-5-6-11-18(17)31-26(32)39/h2-6,8-11,15,19-20H,7,12-14H2,1H3,(H,29,34)(H,30,33)(H,31,39)(H,36,37)(H3,27,28,38)/t15-,19-,20-/m0/s1	C26H30N6O7	538.552	13	7	203.52	3	15	3	-3.2571	0.31748	2.89	3.293	79.2318	143.9296	3.9399	495.257326614264
Cond-003942	NPD4011	NPD4011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5268474216	Cc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCN1CCOCC1	InChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)24-25-21(20-5-2-3-6-22(20)28-25)17-23(29-24)26(31)27-11-4-12-30-13-15-32-16-14-30/h2-3,5-10,17,28H,4,11-16H2,1H3,(H,27,31)	C26H28N4O2	428.526	6	2	70.25	5	7	1	-0.7725	4.20849000000001	3.66	5.002	51.9455	133.3047	3.3156	388.072672695125
Cond-003943	NPD4012	NPD4012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5120317539	CC(Oc1ccc2c(oc(=O)c3c2CCCC3)c1)C(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C27H26N2O7/c1-14(35-17-7-8-19-18-4-2-3-5-20(18)27(34)36-24(19)12-17)25(31)29-23(26(32)33)10-15-13-28-22-9-6-16(30)11-21(15)22/h6-9,11-14,23,28,30H,2-5,10H2,1H3,(H,29,31)(H,32,33)	C27H26N2O7	490.505	9	4	137.95	5	8	0	-2.5756	4.17476000000001	3.44	3.178	69.2783	136.5043	3.5074	435.589811706664
Cond-003944	NPD4013	NPD4013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.8766022159	OC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O	InChI=1S/C22H21N3O5/c26-19-15-9-4-5-10-16(15)23-22(30)25(19)18(13-14-7-2-1-3-8-14)20(27)24-12-6-11-17(24)21(28)29/h1-5,7-10,17-18H,6,11-13H2,(H,23,30)(H,28,29)/t17-,18+/m0/s1	C22H21N3O5	407.419	8	2	107.02	4	6	0	-2.442	3.19518	3	4.318	51.5913	111.421	2.9369	368.419112785974
Cond-003945	NPD4014	NPD4014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1676925761	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(C)cc1	InChI=1S/C29H25N3O3/c1-17-12-14-18(15-13-17)25(33)24-23-11-6-16-32(23)29(20-8-3-5-10-22(20)31-27(29)35)28(24)19-7-2-4-9-21(19)30-26(28)34/h2-5,7-10,12-15,23-24H,6,11,16H2,1H3,(H,30,34)(H,31,35)/t23-,24-,28+,29+/m0/s1	C29H25N3O3	463.527	6	2	78.51	7	2	1	-2.2924	4.8769	3.99	5.124	51.1075	134.3469	3.39400000000001	418.668258261919
Cond-003946	NPD4015	NPD4015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7199751089	CC(C)[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C26H25NO6/c1-13(2)24(25(29)30)27-22(28)11-18-14(3)17-10-19-21(12-20(17)33-26(18)31)32-15(4)23(19)16-8-6-5-7-9-16/h5-10,12-13,24H,11H2,1-4H3,(H,27,28)(H,29,30)/t24-/m0/s1	C26H25NO6	447.48	7	2	105.84	4	7	1	0.488900000000002	5.01699000000001	3.55	5.447	63.8244	130.0955	3.3166	410.863298872869
Cond-003947	NPD4016	NPD4016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.993798065	CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](C(C)C)C(=O)O)ccc12	InChI=1S/C20H25NO6/c1-5-6-13-9-17(22)27-16-10-14(7-8-15(13)16)26-12(4)19(23)21-18(11(2)3)20(24)25/h7-12,18H,5-6H2,1-4H3,(H,21,23)(H,24,25)/t12?,18-/m0/s1	C20H25NO6	375.416	7	2	101.93	2	9	0	-0.818600000000002	3.33377	2.89	3.407	72.0828	103.6985	2.8604	364.146143322469
Cond-003948	NPD4017	NPD4017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9799037364	CC1(C)Cc2nc3c(cc2CO1)c1c(o3)c(NCCc2ccccc2)ncn1	InChI=1S/C22H22N4O2/c1-22(2)11-17-15(12-27-22)10-16-18-19(28-21(16)26-17)20(25-13-24-18)23-9-8-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,23,24,25)	C22H22N4O2	374.436	6	1	73.07	5	4	1	0.2067	5.07906000000001	3.22	5.16	39.0478	112.8427	2.795	321.525192892458
Cond-003949	NPD4019	NPD4019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4055826799	COc1ccc(cc1)n1c(=O)n(C)c(=O)c(C2N(C)CCc3c2[nH]c2c3cccc2)c1O	InChI=1S/C24H24N4O4/c1-26-13-12-17-16-6-4-5-7-18(16)25-20(17)21(26)19-22(29)27(2)24(31)28(23(19)30)14-8-10-15(32-3)11-9-14/h4-11,21,25,30H,12-13H2,1-3H3	C24H24N4O4	432.472	8	2	89.11	5	3	0	-0.6236	3.84306000000001	3.22	3.343	61.7703	124.7598	3.1512	381.961156844513
Cond-003950	NPD402	NPD402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.4541391468	CC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCOCC1	InChI=1S/C28H41NO4/c1-19(30)23-6-7-24-22-5-4-20-18-21(33-26(31)10-13-29-14-16-32-17-15-29)8-11-27(20,2)25(22)9-12-28(23,24)3/h4,6,21-22,24-25H,5,7-18H2,1-3H3/t21?,22?,24?,25?,27-,28+/m0/s1	C28H41NO4	455.629	5	0	55.84	5	6	0	0.550199999999996	4.79487000000001	3.99	4.327	129.1685	130.309	3.6734	466.673566928281
Cond-003951	NPD4020	NPD4020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.3559452928	CC(C)C[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C18H33N3O4/c1-11(2)9-14(19)17(23)21-7-5-13(6-8-21)16(22)20-15(18(24)25)10-12(3)4/h11-15H,5-10,19H2,1-4H3,(H,20,22)(H,24,25)/t14-,15-/m0/s1	C18H33N3O4	355.472	7	4	112.73	1	10	0	-1.614	1.44779	2.67	-0.407999999999999	89.2784	98.9989000000001	2.9414	367.769534589947
Cond-003952	NPD4021	NPD4021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4666335897	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCC(O)c3ccccc3)c(C)c1c2	InChI=1S/C25H25NO5/c1-14-16(3)30-22-12-23-20(11-19(14)22)15(2)18(25(29)31-23)9-10-24(28)26-13-21(27)17-7-5-4-6-8-17/h4-8,11-12,21,27H,9-10,13H2,1-3H3,(H,26,28)	C25H25NO5	419.47	6	2	88.77	4	7	0	0.518199999999999	4.00301000000001	3.55	4.382	60.0567	121.2615	3.16	387.413546247241
Cond-003953	NPD4022	NPD4022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.860609832	CCCc1cc(=O)oc2c(C)c3c(CN(Cc4cc(OC)c(OC)c(OC)c4)CO3)cc12	InChI=1S/C25H29NO6/c1-6-7-17-11-22(27)32-24-15(2)23-18(10-19(17)24)13-26(14-31-23)12-16-8-20(28-3)25(30-5)21(9-16)29-4/h8-11H,6-7,12-14H2,1-5H3	C25H29NO6	439.501	7	0	66.46	4	7	0	0.274499999999999	4.62349000000001	3.44	3.67	74.6157	124.499	3.3047	412.376690349402
Cond-003954	NPD4023	NPD4023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3332553241	CC(CCc1ccccc1)NC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C26H27NO4/c1-16-15-30-23-14-24-22(13-21(16)23)18(3)20(26(29)31-24)11-12-25(28)27-17(2)9-10-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12H2,1-3H3,(H,27,28)	C26H27NO4	417.497	5	1	68.54	4	8	1	0.353100000000001	5.62299000000001	3.77	6.366	60.7231	123.9267	3.2422	395.919304172547
Cond-003955	NPD4024	NPD4024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5643564356	COc1c(OC)c(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(C)C)C(=O)O)c3)C2=O)cc1	InChI=1S/C25H27NO9/c1-13(2)21(25(29)30)26-20(27)12-34-15-7-8-16-18(11-15)35-19(22(16)28)10-14-6-9-17(31-3)24(33-5)23(14)32-4/h6-11,13,21H,12H2,1-5H3,(H,26,27)(H,29,30)/b19-10-/t21-/m0/s1	C25H27NO9	485.483	10	2	129.62	3	11	1	-1.367	3.98556	3.11	2.748	76.9913	131.678	3.5034	445.830911750286
Cond-003956	NPD4025	NPD4025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.588713452	CCc1cc(=O)oc2c3CN(CCc4c(Cl)cc(Cl)cc4)COc3ccc12	InChI=1S/C21H19Cl2NO3/c1-2-13-9-20(25)27-21-16(13)5-6-19-17(21)11-24(12-26-19)8-7-14-3-4-15(22)10-18(14)23/h3-6,9-10H,2,7-8,11-12H2,1H3	C21H19Cl2NO3	404.286	4	0	38.77	4	4	0	2.0133	5.86837	3.11	4.871	59.524	112.229	2.8098	347.244207285118
Cond-003957	NPD4026	NPD4026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6160589759	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(OC)cc1	InChI=1S/C30H29N3O4/c1-4-37-26-14-11-20(17-27(26)36-3)28-29-23(22-7-5-6-8-24(22)32-29)18-25(33-28)30(34)31-16-15-19-9-12-21(35-2)13-10-19/h5-14,17-18,32H,4,15-16H2,1-3H3,(H,31,34)	C30H29N3O4	495.569	7	2	85.47	5	10	1	-0.692999999999999	6.11677000000001	3.99	5.959	46.1467	152.2077	3.7678	445.030928289147
Cond-003958	NPD4027	NPD4027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.1140095665	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc2c(o1)cccc2	InChI=1S/C31H25N3O4/c1-17-8-6-11-20-26(17)33-29(37)31(20)30(19-10-3-4-12-21(19)32-28(30)36)25(22-13-7-15-34(22)31)27(35)24-16-18-9-2-5-14-23(18)38-24/h2-6,8-12,14,16,22,25H,7,13,15H2,1H3,(H,32,36)(H,33,37)/t22-,25-,30+,31+/m0/s1	C31H25N3O4	503.548	7	2	91.65	8	2	0	-2.4465	5.54919000000001	4.1	4.518	52.7266	146.2819	3.5829	436.157536812614
Cond-003959	NPD4028	NPD4028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9553185712	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)NCC4CCCO4)c(C)c3c2o1	InChI=1S/C22H25NO5/c1-11-8-17-20(21-19(11)12(2)14(4)27-21)13(3)16(22(25)28-17)9-18(24)23-10-15-6-5-7-26-15/h8,15H,5-7,9-10H2,1-4H3,(H,23,24)	C22H25NO5	383.438	6	1	77.77	4	5	0	0.8396	3.42743	3.22	2.653	70.2833	108.6347	2.8663	354.334968472041
Cond-003960	NPD4029	NPD4029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7871613376	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(=O)NCc1ncccc1	InChI=1S/C24H20N2O4/c1-16-21(29-15-22(27)26-14-18-9-5-6-12-25-18)11-10-19-20(13-23(28)30-24(16)19)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,26,27)	C24H20N2O4	400.427	6	1	77.52	4	7	1	-0.2627	4.38339	3.44	5.829	39.152	117.9367	2.9742	367.05117772738
Cond-003961	NPD403	NPD403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6042031524	COc1c(OC)cc(CN(CCC(C2CCOC(C)(C)C2)c2ccccc2)C(=O)c2ccco2)cc1	InChI=1S/C30H37NO5/c1-30(2)20-24(15-18-36-30)25(23-9-6-5-7-10-23)14-16-31(29(32)27-11-8-17-35-27)21-22-12-13-26(33-3)28(19-22)34-4/h5-13,17,19,24-25H,14-16,18,20-21H2,1-4H3	C30H37NO5	491.618	6	0	61.14	4	11	2	-1.2717	5.94719000000001	4.1	7.518	70.2802	141.815	3.9075	476.529928077375
Cond-003962	NPD4030	NPD4030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.1513087477	COc1cc(cc(OC)c1OC)C1C2CCCCC2(O)CCN1Cc1ccc(C)cc1	InChI=1S/C26H35NO4/c1-18-8-10-19(11-9-18)17-27-14-13-26(28)12-6-5-7-21(26)24(27)20-15-22(29-2)25(31-4)23(16-20)30-3/h8-11,15-16,21,24,28H,5-7,12-14,17H2,1-4H3	C26H35NO4	425.56	5	1	51.16	4	6	1	-0.931499999999997	3.92812000000001	3.77	5.409	68.4786	119.3218	3.4142	417.365138975747
Cond-003963	NPD4031	NPD4031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.185579453	CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C26H30N4O7/c1-14(2)20(23(33)29-21(15(3)31)25(35)36)28-22(32)19(13-16-9-5-4-6-10-16)30-24(34)17-11-7-8-12-18(17)27-26(30)37/h4-12,14-15,19-21,31H,13H2,1-3H3,(H,27,37)(H,28,32)(H,29,33)(H,35,36)/t15?,19-,20-,21-/m0/s1	C26H30N4O7	510.539	11	5	168.63	3	12	2	-2.0028	1.52178	3.11	4.361	78.9841	138.3433	3.78330000000001	475.90026489873
Cond-003964	NPD4032	NPD4032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3331171585	Cc1ccc(cc1)c1coc2c1cc1c(oc(=O)c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c1C)c2	InChI=1S/C27H27N3O7/c1-14-5-7-16(8-6-14)20-13-36-22-12-23-17(10-19(20)22)15(2)18(26(34)37-23)11-24(31)30-21(25(32)33)4-3-9-29-27(28)35/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,30,31)(H,32,33)(H3,28,29,35)/t21-/m0/s1	C27H27N3O7	505.519	10	5	160.96	4	11	1	-1.0736	3.82869	3.33	3.533	69.8042	139.6486	3.6728	456.30657191483
Cond-003965	NPD4033	NPD4033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3026824642	COc1ccc(cc1)c1cc(=O)oc2c3CN(Cc4cc(OC)c(OC)cc4)COc3ccc12	InChI=1S/C27H25NO6/c1-30-19-7-5-18(6-8-19)21-13-26(29)34-27-20(21)9-11-23-22(27)15-28(16-33-23)14-17-4-10-24(31-2)25(12-17)32-3/h4-13H,14-16H2,1-3H3	C27H25NO6	459.49	7	0	66.46	5	6	0	-0.1932	4.84367	3.66	4.638	55.4379	131.495	3.3489	415.802824797936
Cond-003966	NPD4034	NPD4034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0117307165	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@H](CCC(=O)N)C(=O)O)c1cc(OC)ccc1	InChI=1S/C32H29N5O7/c1-44-18-8-6-7-17(15-18)28-27-21(19-9-2-4-11-22(19)34-27)16-25-30(40)37(32(43)36(25)28)24-12-5-3-10-20(24)29(39)35-23(31(41)42)13-14-26(33)38/h2-12,15,23,25,28,34H,13-14,16H2,1H3,(H2,33,38)(H,35,39)(H,41,42)/t23-,25+,28?/m1/s1	C32H29N5O7	595.602	12	5	175.13	6	10	1	-3.2882	2.90728	3.66	3.313	69.9719	162.1204	4.23070000000001	521.257721956497
Cond-003967	NPD4035	NPD4035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.6120176378	[C@@H]12CCCC[C@]1(O)CCN([C@H]2c1c(OC)cc(OC)cc1)C(=O)c1ccccc1	InChI=1S/C24H29NO4/c1-28-18-11-12-19(21(16-18)29-2)22-20-10-6-7-13-24(20,27)14-15-25(22)23(26)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20,22,27H,6-7,10,13-15H2,1-2H3/t20-,22-,24-/m0/s1	C24H29NO4	395.491	5	1	59	4	5	1	-2.1813	4.39509000000001	3.55	5.157	55.492	115.8608	3.0894	380.136711023213
Cond-003968	NPD4036	NPD4036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1784513462	OC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O	InChI=1S/C21H18N4O5/c26-18(27)11-23-19(28)17(9-12-10-22-15-7-3-1-5-13(12)15)25-20(29)14-6-2-4-8-16(14)24-21(25)30/h1-8,10,17,22H,9,11H2,(H,23,28)(H,24,30)(H,26,27)/t17-/m0/s1	C21H18N4O5	406.391	9	4	135.09	4	7	0	-1.7895	2.03617	2.78	2.753	46.63	114.3028	2.8528	348.583429667474
Cond-003969	NPD4038	NPD4038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.229347063	CCC(C)[C@H](NC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O)C(=O)O	InChI=1S/C24H30N4O6/c1-6-12(2)18(21(30)31)26-20(29)13(3)28-22(32)24(4)19-15(9-10-27(24)23(28)33)16-11-14(34-5)7-8-17(16)25-19/h7-8,11-13,18,25H,6,9-10H2,1-5H3,(H,26,29)(H,30,31)/t12?,13-,18-,24-/m0/s1	C24H30N4O6	470.518	10	3	132.04	4	8	0	-2.0424	2.03208	3	1.505	87.2501	127.2765	3.4632	428.070986348036
Cond-003970	NPD4039	NPD4039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7740174945	[C@@H]12C(NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C1CCCC1)C2=O)C(C)O	InChI=1S/C20H23N3O4/c1-10(24)16-14-15(18(26)23(17(14)25)11-6-2-3-7-11)20(22-16)12-8-4-5-9-13(12)21-19(20)27/h4-5,8-11,14-16,22,24H,2-3,6-7H2,1H3,(H,21,27)/t10?,14-,15-,16?,20?/m0/s1	C20H23N3O4	369.414	7	3	98.74	5	2	0	-4.1	1.27799	2.89	0.776	62.9741	99.4172000000001	2.6598	334.12629293608
Cond-003971	NPD404	NPD404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.682924559	CC1(CCC2C(O1)c1ccccc1OC2(C)C)C#CCN(Cc1ccccc1)Cc1ccccc1	InChI=1S/C32H35NO2/c1-31(2)28-19-21-32(3,35-30(28)27-17-10-11-18-29(27)34-31)20-12-22-33(23-25-13-6-4-7-14-25)24-26-15-8-5-9-16-26/h4-11,13-18,28,30H,19,21-24H2,1-3H3	C32H35NO2	465.626	3	0	21.7	5	5	1	1.2336	6.40479000000001	4.65	9.714	65.744	140.27	3.8186	467.121841125025
Cond-003972	NPD4041	NPD4041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4496769849	FC(F)(F)c1cc(COc2ccc3c(oc(=O)cc3c3cc4c(oc3=O)cccc4)c2)ccc1	InChI=1S/C26H15F3O5/c27-26(28,29)17-6-3-4-15(10-17)14-32-18-8-9-19-20(13-24(30)33-23(19)12-18)21-11-16-5-1-2-7-22(16)34-25(21)31/h1-13H,14H2	C26H15F3O5	464.39	5	0	61.83	5	5	1	1.2111	5.27806	3.44	7.818	43.4712	117.53	3.0166	391.64961241266
Cond-003973	NPD4042	NPD4042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1860727791	NC(=O)C1CCN(CC1)C(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C21H20N2O5/c22-20(25)13-7-9-23(10-8-13)19(24)12-27-14-5-6-16-15-3-1-2-4-17(15)21(26)28-18(16)11-14/h1-6,11,13H,7-10,12H2,(H2,22,25)	C21H20N2O5	380.394	7	2	98.93	4	5	0	-2.4141	2.50648	3	2.545	46.225	106.7964	2.7392	342.762826652741
Cond-003974	NPD4043	NPD4043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6290801187	COC(=O)c1cc(NC(=O)CN2CCc3cc4c(OCCCO4)cc3C2)cc(c1)C(=O)OC	InChI=1S/C24H26N2O7/c1-30-23(28)16-8-17(24(29)31-2)10-19(9-16)25-22(27)14-26-5-4-15-11-20-21(12-18(15)13-26)33-7-3-6-32-20/h8-12H,3-7,13-14H2,1-2H3,(H,25,27)	C24H26N2O7	454.472	9	1	103.4	4	8	0	-1.0952	2.54758	3.11	2.055	68.3287	123.1072	3.2793	412.231233931463
Cond-003975	NPD4044	NPD4044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.5980419023	[C@@H]12[C@H](CC(=O)N)N[C@]3(C(=O)Nc4ccccc34)[C@@H]1C(=O)N(Cc1ccc(OC)cc1)C2=O	InChI=1S/C23H22N4O5/c1-32-13-8-6-12(7-9-13)11-27-20(29)18-16(10-17(24)28)26-23(19(18)21(27)30)14-4-2-3-5-15(14)25-22(23)31/h2-9,16,18-19,26H,10-11H2,1H3,(H2,24,28)(H,25,31)/t16-,18+,19-,23-/m0/s1	C23H22N4O5	434.445	9	4	130.83	5	5	0	-3.0784	0.69929	3	0.838	60.0873	115.2338	3.069	384.355398919208
Cond-003976	NPD4045	NPD4045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9291889667	COc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1c(F)cccc1	InChI=1S/C27H22FN3O2/c1-33-19-9-6-8-18(15-19)25-26-21(20-10-3-5-12-23(20)30-26)16-24(31-25)27(32)29-14-13-17-7-2-4-11-22(17)28/h2-12,15-16,30H,13-14H2,1H3,(H,29,32)	C27H22FN3O2	439.481	5	2	67.01	5	7	1	-0.360099999999999	5.84857	3.77	6.594	28.0938	134.4447	3.24540000000001	381.630079860731
Cond-003977	NPD4046	NPD4046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1629806734	Clc1ccccc1c1nc(cc2c1[nH]c1ccccc21)C(=O)Nc1c(Cl)cccc1	InChI=1S/C24H15Cl2N3O/c25-17-9-3-1-8-15(17)22-23-16(14-7-2-5-11-19(14)27-23)13-21(28-22)24(30)29-20-12-6-4-10-18(20)26/h1-13,27H,(H,29,30)	C24H15Cl2N3O	432.301	4	2	57.78	5	4	1	0.4334	7.88756	3.44	6.97	21.9727	130.1137	2.9911	345.30647597313
Cond-003978	NPD4047	NPD4047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.5750310347	[C@H]1(Cc2c(CN1C(=O)COc1c3c(oc(=O)c4c3CCCC4)cc(C)c1)[nH]c1ccccc21)C(=O)OC	InChI=1S/C29H28N2O6/c1-16-11-24(27-18-8-3-4-9-19(18)28(33)37-25(27)12-16)36-15-26(32)31-14-22-20(13-23(31)29(34)35-2)17-7-5-6-10-21(17)30-22/h5-7,10-12,23,30H,3-4,8-9,13-15H2,1-2H3/t23-/m0/s1	C29H28N2O6	500.542	8	1	97.93	6	6	0	-1.3067	4.08358000000001	3.77	4.476	77.0376	139.916	3.6219	449.035095557036
Cond-003979	NPD4048	NPD4048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0237388724	COc1cc(CNC(=O)COc2c3c(C)cc(=O)oc3c3CCC(C)(C)Oc3c2)ccc1	InChI=1S/C25H27NO6/c1-15-10-22(28)31-24-18-8-9-25(2,3)32-19(18)12-20(23(15)24)30-14-21(27)26-13-16-6-5-7-17(11-16)29-4/h5-7,10-12H,8-9,13-14H2,1-4H3,(H,26,27)	C25H27NO6	437.485	7	1	83.09	4	7	0	0.4435	4.52956000000001	3.44	3.744	71.1721	124.6387	3.2617	409.740231648602
Cond-003980	NPD4049	NPD4049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9743577099	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)c(Cl)ccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1c(OCC)cccc1	InChI=1S/C31H28ClN3O4/c1-3-39-24-13-7-4-9-18(24)27(36)25-23-12-8-16-35(23)31(20-14-15-21(32)17(2)26(20)34-29(31)38)30(25)19-10-5-6-11-22(19)33-28(30)37/h4-7,9-11,13-15,23,25H,3,8,12,16H2,1-2H3,(H,33,37)(H,34,38)/t23-,25-,30+,31+/m0/s1	C31H28ClN3O4	542.025	7	2	87.74	7	4	0	-1.3495	5.929	3.99	4.355	68.3327	150.5259	3.8569	477.261521984647
Cond-003981	NPD405	NPD405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.9275781746	CC(=O)Oc1cc2c(c(=O)c(Oc3ccc(cc3)N(=O)=O)co2)c(OC(=O)C)c1	InChI=1S/C19H13NO9/c1-10(21)27-14-7-15-18(16(8-14)28-11(2)22)19(23)17(9-26-15)29-13-5-3-12(4-6-13)20(24)25/h3-9H,1-2H3	C19H13NO9	399.308	10	0	131.27	3	7	0	-0.574300000000001	4.46235	2.45	4.12	44.7944	106.8555	2.615	339.418545294285
Cond-003982	NPD4050	NPD4050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7419482316	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C1CN(C(=O)C1)c1cc2c(OCCO2)cc1)C(=O)O	InChI=1S/C22H29N3O7/c1-12(2)8-16(22(29)30)24-20(27)13(3)23-21(28)14-9-19(26)25(11-14)15-4-5-17-18(10-15)32-7-6-31-17/h4-5,10,12-14,16H,6-9,11H2,1-3H3,(H,23,28)(H,24,27)(H,29,30)/t13-,14?,16-/m0/s1	C22H29N3O7	447.482	10	3	134.27	3	10	0	-1.9619	2.19267	2.78	0.947	86.3533	120.2462	3.2919	417.165400990297
Cond-003983	NPD4051	NPD4051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6577838738	COc1c(OC)cc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H21NO5/c1-14-22-15(10-19-17-6-4-5-7-18(17)24(26)30-23(14)19)12-25(13-29-22)16-8-9-20(27-2)21(11-16)28-3/h4-11H,12-13H2,1-3H3	C24H21NO5	403.427	6	0	57.23	5	3	1	0.3235	5.54859	3.44	5.068	39.8886	119.662	2.9105	357.761102920574
Cond-003984	NPD4052	NPD4052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.416785346	COc1ccc(cc1)c1cc(=O)oc2c3CN(COc3ccc12)c1cc(Cl)c(Cl)cc1	InChI=1S/C24H17Cl2NO4/c1-29-16-5-2-14(3-6-16)18-11-23(28)31-24-17(18)7-9-22-19(24)12-27(13-30-22)15-4-8-20(25)21(26)10-15/h2-11H,12-13H2,1H3	C24H17Cl2NO4	454.302	5	0	48	5	3	1	1.3874	7.00426	3.33	5.775	47.3253	126.527	3.0536	376.756553060079
Cond-003985	NPD4053	NPD4053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1181561947	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3cc4c(OCO4)cc3)c(C)c1c2	InChI=1S/C24H21NO6/c1-12-14(3)30-20-10-21-18(9-17(12)20)13(2)16(24(27)31-21)5-7-23(26)25-15-4-6-19-22(8-15)29-11-28-19/h4,6,8-10H,5,7,11H2,1-3H3,(H,25,26)	C24H21NO6	419.427	7	1	87	5	5	0	0.7146	5.96259	3.33	3.517	56.8541	121.1267	2.9692	366.551329621135
Cond-003986	NPD4056	NPD4056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.9282844961	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1c(O)c(OC)ccc1)C2=O	InChI=1S/C21H30N2O3/c1-4-9-20-11-22-13-21(10-5-2,19(20)25)14-23(12-20)18(22)15-7-6-8-16(26-3)17(15)24/h6-8,18,24H,4-5,9-14H2,1-3H3/t18?,20-,21+	C21H30N2O3	358.474	5	1	53.01	1	6	0	-1.6591	3.50439000000001	3.22	2.381	75.6411	105.385	2.8368	349.264666755619
Cond-003987	NPD4057	NPD4057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8477630997	CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSC)C(=O)O)ccc12	InChI=1S/C18H21NO6S/c1-4-11-7-16(21)25-17-10(2)14(6-5-12(11)17)24-8-15(20)19-13(9-26-3)18(22)23/h5-7,13H,4,8-9H2,1-3H3,(H,19,20)(H,22,23)/t13-/m0/s1	C18H21NO6S	379.427	7	2	127.23	2	9	0	0.3402	2.84569	2.56	2.382	73.5348	103.9975	2.7421	348.063198128335
Cond-003988	NPD4058	NPD4058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5096453018	CCCc1cc(=O)oc2c(C)c3c(CN(Cc4c(OC)cccc4)CO3)cc12	InChI=1S/C23H25NO4/c1-4-7-16-11-21(25)28-23-15(2)22-18(10-19(16)23)13-24(14-27-22)12-17-8-5-6-9-20(17)26-3/h5-6,8-11H,4,7,12-14H2,1-3H3	C23H25NO4	379.449	5	0	48	4	5	0	0.378099999999999	5.16179000000001	3.44	4.769	59.9841	113.722	2.9055	360.204267696547
Cond-003989	NPD4059	NPD4059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6493440109	CCCCc1cc(=O)oc2cc(C)cc(OC(=O)C(CCC)NS(=O)(=O)c3ccc(C)cc3)c12	InChI=1S/C26H31NO6S/c1-5-7-9-19-16-24(28)32-22-14-18(4)15-23(25(19)22)33-26(29)21(8-6-2)27-34(30,31)20-12-10-17(3)11-13-20/h10-16,21,27H,5-9H2,1-4H3	C26H31NO6S	485.592	7	1	107.15	3	11	2	-0.813300000000002	5.35370000000001	3.44	6.978	75.3846	127.8917	3.6747	457.901699032869
Cond-003990	NPD406	NPD406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2128219124	CC(=O)O/N=C(\C)/C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C25H35NO4/c1-15(26-30-17(3)28)21-8-9-22-20-7-6-18-14-19(29-16(2)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23H,7,9-14H2,1-5H3/b26-15+/t19?,20?,22?,23?,24-,25+/m0/s1	C25H35NO4	413.55	5	0	64.96	4	5	1	0.6852	5.59216000000001	3.66	5.752	114.9388	120.459	3.3163	424.50561305068
Cond-003991	NPD4061	NPD4061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0014884644	CCCCOCCCNC(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C24H27NO5/c1-2-3-13-28-14-7-12-25-23(26)17-29-19-10-11-20-21(18-8-5-4-6-9-18)16-24(27)30-22(20)15-19/h4-6,8-11,15-16H,2-3,7,12-14,17H2,1H3,(H,25,26)	C24H27NO5	409.475	6	1	73.86	3	12	2	-1.8483	4.29107000000001	3.44	5.971	59.3269	118.6887	3.1707	396.010479022974
Cond-003992	NPD4062	NPD4062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5595555771	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(CC)CCCC)c1cc(OC)ccc1	InChI=1S/C35H38N4O4/c1-4-6-12-22(5-2)21-36-33(40)26-16-8-10-18-29(26)39-34(41)30-20-27-25-15-7-9-17-28(25)37-31(27)32(38(30)35(39)42)23-13-11-14-24(19-23)43-3/h7-11,13-19,22,30,32,37H,4-6,12,20-21H2,1-3H3,(H,36,40)/t22?,30-,32?/m0/s1	C35H38N4O4	578.701	8	2	94.74	6	11	2	-2.8036	6.13948000000001	4.43	8.012	77.0265	170.2197	4.4635	541.051152925847
Cond-003993	NPD4063	NPD4063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4267659449	CCc1cc(=O)oc2c(C)c3c(CN(CO3)c3c(C)cc(C)cc3C)cc12	InChI=1S/C23H25NO3/c1-6-17-10-20(25)27-23-16(5)22-18(9-19(17)23)11-24(12-26-22)21-14(3)7-13(2)8-15(21)4/h7-10H,6,11-12H2,1-5H3	C23H25NO3	363.449	4	0	38.77	4	2	1	2.8255	5.21735000000001	3.55	5.248	61.1372	109.528	2.8468	351.414040995985
Cond-003994	NPD4064	NPD4064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4701387492	COCCNC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O	InChI=1S/C21H23NO5/c1-12-14-9-16-13-5-3-4-6-17(13)26-19(16)11-18(14)27-21(24)15(12)10-20(23)22-7-8-25-2/h9,11H,3-8,10H2,1-2H3,(H,22,23)	C21H23NO5	369.411	6	1	77.77	4	6	0	-0.413200000000001	3.63486	3.11	2.374	65.1626	106.9927	2.7254	337.038983846174
Cond-003995	NPD4065	NPD4065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.591661347	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(C)c(Br)cc3)cc12	InChI=1S/C26H22BrNO4/c1-15-10-19(6-9-23(15)27)28-13-18-11-22-21(17-4-7-20(30-3)8-5-17)12-24(29)32-26(22)16(2)25(18)31-14-28/h4-12H,13-14H2,1-3H3	C26H22BrNO4	492.361	5	0	48	5	3	1	2.0716	6.516	3.66	6.241	55.6974	131.487	3.2656	400.210005748513
Cond-003996	NPD4066	NPD4066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2156013001	[C@@H]12[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(C)c(Cl)ccc34)[C@@H]1C(=O)N(C2=O)c1ccccc1C(=O)OC	InChI=1S/C29H24ClN3O5/c1-15-19(30)13-12-18-24(15)31-28(37)29(18)23-22(20(32-29)14-16-8-4-3-5-9-16)25(34)33(26(23)35)21-11-7-6-10-17(21)27(36)38-2/h3-13,20,22-23,32H,14H2,1-2H3,(H,31,37)/t20-,22+,23-,29-/m0/s1	C29H24ClN3O5	529.971	8	2	104.81	6	5	1	-0.978300000000001	3.60441	3.66	5.552	64.0401	142.4764	3.69940000000001	461.179779433475
Cond-003997	NPD4067	NPD4067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4509307085	CCCCCCc1c(C)c2c(oc1=O)c(C)c(OCC(=O)NC[C@H]1CCC(CC1)C(=O)O)cc2	InChI=1S/C27H37NO6/c1-4-5-6-7-8-22-17(2)21-13-14-23(18(3)25(21)34-27(22)32)33-16-24(29)28-15-19-9-11-20(12-10-19)26(30)31/h13-14,19-20H,4-12,15-16H2,1-3H3,(H,28,29)(H,30,31)/t19-,20?	C27H37NO6	471.586	7	2	101.93	3	12	2	-0.416100000000003	5.87099000000001	3.66	5.182	97.3705	135.2275	3.7381	472.861577002736
Cond-003998	NPD4068	NPD4068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0368765669	Cc1cc(OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2c(C)cc(=O)oc2c1	InChI=1S/C28H25NO6/c1-18-13-23-26(19(2)15-25(30)34-23)24(14-18)35-27(31)22(16-20-9-5-3-6-10-20)29-28(32)33-17-21-11-7-4-8-12-21/h3-15,22H,16-17H2,1-2H3,(H,29,32)/t22-/m1/s1	C28H25NO6	471.501	7	1	90.93	4	10	1	1.1002	4.69249000000001	3.77	8.699	54.3042	132.1857	3.51240000000001	440.182350723002
Cond-003999	NPD4069	NPD4069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1466561607	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)N)[C@H]2c1cc(OC)c(OC)c(OC)c1	InChI=1S/C20H30N2O5/c1-25-15-10-13(11-16(26-2)19(15)27-3)18-14-6-4-5-7-20(14,24)8-9-22(18)12-17(21)23/h10-11,14,18,24H,4-9,12H2,1-3H3,(H2,21,23)/t14-,18-,20-/m0/s1	C20H30N2O5	378.463	7	3	94.25	3	6	0	-2.4217	1.75859	2.89	0.832	70.2678	103.5962	2.9219	361.905594231675
Cond-004000	NPD407	NPD407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6095887101	O=C(COc1ccc2c(oc(=O)c3c2CCCC3)c1)c1cc2c(OCO2)cc1	InChI=1S/C22H18O6/c23-18(13-5-8-19-21(9-13)27-12-26-19)11-25-14-6-7-16-15-3-1-2-4-17(15)22(24)28-20(16)10-14/h5-10H,1-4,11-12H2	C22H18O6	378.375	6	0	71.06	5	4	0	-1.3881	4.97636	3.22	3.681	48.7233	106.1585	2.6306	334.499058862035
Cond-004001	NPD4070	NPD4070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.116690602	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OC(=O)CNC(=O)OCc1ccccc1	InChI=1S/C26H21NO6/c1-17-22(32-24(29)15-27-26(30)31-16-18-8-4-2-5-9-18)13-12-20-21(14-23(28)33-25(17)20)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,27,30)	C26H21NO6	443.448	7	1	90.93	4	9	1	0.3511	4.66509	3.55	7.865	45.1759	125.3157	3.23060000000001	405.590381471269
Cond-004002	NPD4071	NPD4071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8859450409	COc1c2c(oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c2C)cc(C)c1	InChI=1S/C23H23NO6/c1-13-9-18(29-3)21-14(2)16(23(28)30-19(21)10-13)12-20(25)24-17(22(26)27)11-15-7-5-4-6-8-15/h4-10,17H,11-12H2,1-3H3,(H,24,25)(H,26,27)/t17-/m0/s1	C23H23NO6	409.432	7	2	101.93	3	8	0	0.283199999999999	3.16989	3.22	4.781	59.8883	113.4345	3.0455	384.868262396869
Cond-004003	NPD4072	NPD4072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4657534247	COc1c2OCOc2cc(CCN(C)C(=O)C)c1/C=C/1\C(=O)N(C(=O)N=C1O)c1ccc(Cl)cc1	InChI=1S/C24H22ClN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-	C24H22ClN3O7	499.9	10	1	117.97	4	7	0	-0.561100000000001	3.94565	2.89	2.61	77.8891	133.5988	3.4155	433.166144508463
Cond-004004	NPD4073	NPD4073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7142787832	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N[C@H](C(C)C)C(=O)O)C2=O	InChI=1S/C22H29N3O5/c1-14(2)19(21(28)29)23-18(26)10-4-3-7-11-24-20(27)17-12-15-8-5-6-9-16(15)13-25(17)22(24)30/h5-6,8-9,14,17,19H,3-4,7,10-13H2,1-2H3,(H,23,26)(H,28,29)/t17-,19+/m0/s1	C22H29N3O5	415.483	8	2	107.02	3	10	0	-2.1107	2.05569	3	2.781	78.0321	111.9455	3.1745	399.584947589175
Cond-004005	NPD4074	NPD4074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9076384437	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)cc2oc1=O)C(=O)O	InChI=1S/C27H25FN2O7/c1-13(2)25(26(33)34)30-24(32)11-29-23(31)9-18-14(3)17-8-19-20(15-4-6-16(28)7-5-15)12-36-21(19)10-22(17)37-27(18)35/h4-8,10,12-13,25H,9,11H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/t25-/m0/s1	C27H25FN2O7	508.495	9	3	134.94	4	10	0	-0.3075	4.26347000000001	3.33	3.026	70.9679	136.9942	3.5907	451.37737055697
Cond-004006	NPD4075	NPD4075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9021932424	CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C23H24ClN3O4/c1-13(2)19(22(29)26-20(23(30)31)14-7-5-4-6-8-14)25-21(28)18-12-15-11-16(24)9-10-17(15)27(18)3/h4-13,19-20H,1-3H3,(H,25,28)(H,26,29)(H,30,31)/t19-,20+/m0/s1	C23H24ClN3O4	441.907	7	3	100.43	3	9	0	-0.3909	3.82618	3.11	4.735	57.226	122.4887	3.2501	393.592397182513
Cond-004007	NPD4076	NPD4076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0239163667	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)C(C)(C)C	InChI=1S/C20H24N4O3/c1-20(2,3)24-18(26)14(17(25)22-19(24)27)16-15-12(9-10-23(16)4)11-7-5-6-8-13(11)21-15/h5-8,16,21,25H,9-10H2,1-4H3,(H,22,27)	C20H24N4O3	368.43	7	3	92.16	4	2	0	0.912699999999999	2.66116	2.89	2.595	69.2932	108.1746	2.7665	335.152826443685
Cond-004008	NPD4078	NPD4078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0660639949	Clc1c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)ccc(Br)c1	InChI=1S/C23H15BrClNO4/c24-15-6-9-20(19(25)10-15)26-22(27)13-29-16-7-8-17-18(14-4-2-1-3-5-14)12-23(28)30-21(17)11-16/h1-12H,13H2,(H,26,27)	C23H15BrClNO4	484.726	5	1	64.63	4	6	1	0.7168	6.62276	3.22	7.315	43.1524	123.3597	3.0309	373.253119641346
Cond-004009	NPD408	NPD408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.9900990099	Brc1cc(/C=C/C(=O)c2c(OCc3ccccc3)cccc2)c2OCOCc2c1	InChI=1S/C24H19BrO4/c25-20-12-18(24-19(13-20)15-27-16-29-24)10-11-22(26)21-8-4-5-9-23(21)28-14-17-6-2-1-3-7-17/h1-13H,14-16H2/b11-10+	C24H19BrO4	451.309	4	0	44.76	4	6	1	0.5525	4.95209	3.55	7.104	42.7042	115.72	2.9926	366.977734989413
Cond-004010	NPD4080	NPD4080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.3350954691	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O	InChI=1S/C22H30N4O6/c1-12(2)9-16(19(28)24-17(21(30)31)10-13(3)4)23-18(27)11-26-20(29)14-7-5-6-8-15(14)25-22(26)32/h5-8,12-13,16-17H,9-11H2,1-4H3,(H,23,27)(H,24,28)(H,25,32)(H,30,31)/t16-,17-/m0/s1	C22H30N4O6	446.497	10	4	144.91	2	12	1	-1.1196	2.65468	2.78	2.87	85.6332	120.3904	3.3986	429.091934497903
Cond-004011	NPD4081	NPD4081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5152567601	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C24H19NO6/c1-14-19(12-11-17-16-9-5-6-10-18(16)24(29)31-22(14)17)30-13-20(26)25-21(23(27)28)15-7-3-2-4-8-15/h2-12,21H,13H2,1H3,(H,25,26)(H,27,28)/t21-/m1/s1	C24H19NO6	417.411	7	2	101.93	4	7	1	-0.8367	3.9671	3.33	5.72	35.9585	118.4485	2.9918	373.634870920335
Cond-004012	NPD4082	NPD4082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4639898645	CCCCc1cc(=O)oc2cc(OCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)ccc12	InChI=1S/C26H26N2O7/c1-2-3-4-15-10-25(31)35-23-12-18(6-7-19(15)23)34-14-24(30)28-22(26(32)33)9-16-13-27-21-8-5-17(29)11-20(16)21/h5-8,10-13,22,27,29H,2-4,9,14H2,1H3,(H,28,30)(H,32,33)	C26H26N2O7	478.494	9	4	137.95	4	11	1	-2.5938	4.03226000000001	3.33	3.485	66.7971	134.0233	3.4751	430.650285781597
Cond-004013	NPD4083	NPD4083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.92807153	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CS)C(=O)O)c1cc(Cl)ccc1	InChI=1S/C29H23ClN4O5S/c30-16-7-5-6-15(12-16)25-24-19(17-8-1-3-10-20(17)31-24)13-23-27(36)34(29(39)33(23)25)22-11-4-2-9-18(22)26(35)32-21(14-40)28(37)38/h1-12,21,23,25,31,40H,13-14H2,(H,32,35)(H,37,38)/t21-,23-,25?/m0/s1	C29H23ClN4O5S	575.035	9	3	161.61	6	7	1	-1.0815	4.21638	3.44	5.355	66.7732	156.003	3.91970000000001	477.149104998441
Cond-004014	NPD4084	NPD4084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2673267327	COc1cc(/C=C\2/Oc3c(ccc(OCC(=O)NCCCC(=O)O)c3)C2=O)c(OC)cc1	InChI=1S/C23H23NO8/c1-29-15-6-8-18(30-2)14(10-15)11-20-23(28)17-7-5-16(12-19(17)32-20)31-13-21(25)24-9-3-4-22(26)27/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,24,25)(H,26,27)/b20-11+	C23H23NO8	441.431	9	2	120.39	3	11	1	-1.9726	3.73256	3	2.527	64.2579	120.601	3.1629	402.448715797991
Cond-004015	NPD4085	NPD4085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.532453462	OC1=NC(=O)C2(Cc3c(cccc3)N3CCCC23)C(=O)N1CCc1ccccc1	InChI=1S/C23H23N3O3/c27-20-23(15-17-9-4-5-10-18(17)25-13-6-11-19(23)25)21(28)26(22(29)24-20)14-12-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,24,27,29)	C23H23N3O3	389.447	6	1	73.21	5	3	1	-1.2157	2.85498	3.33	5.713	53.8773	113.9348	2.8948	358.414644010719
Cond-004016	NPD4086	NPD4086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.410800058	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCc1ccc(F)cc1)c1ccc(OC)cc1	InChI=1S/C35H29FN4O4/c1-44-24-16-12-22(13-17-24)32-31-27(25-6-2-4-8-28(25)38-31)20-30-34(42)40(35(43)39(30)32)29-9-5-3-7-26(29)33(41)37-19-18-21-10-14-23(36)15-11-21/h2-17,30,32,38H,18-20H2,1H3,(H,37,41)/t30-,32?/m0/s1	C35H29FN4O4	588.628	8	2	94.74	7	8	1	-1.2564	5.30488000000001	4.32	7.25	54.564	167.0177	4.24360000000001	515.952876972953
Cond-004017	NPD4087	NPD4087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.1141776752	COc1ccc(cc1)c1cc(=O)oc2c3CN(COc3ccc12)c1cc(F)ccc1	InChI=1S/C24H18FNO4/c1-28-18-7-5-15(6-8-18)20-12-23(27)30-24-19(20)9-10-22-21(24)13-26(14-29-22)17-4-2-3-16(25)11-17/h2-12H,13-14H2,1H3	C24H18FNO4	403.402	5	0	48	5	3	1	0.378499999999999	5.83656	3.44	5.542	36.9666	116.465	2.8265	352.401976369519
Cond-004018	NPD4088	NPD4088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.3168316832	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(OCc4ccccc4)cc3)cc12	InChI=1S/C28H27NO4/c1-3-7-21-15-26(30)33-28-19(2)27-22(14-25(21)28)16-29(18-32-27)23-10-12-24(13-11-23)31-17-20-8-5-4-6-9-20/h4-6,8-15H,3,7,16-18H2,1-2H3	C28H27NO4	441.518	5	0	48	5	6	1	0.2758	6.70818000000001	3.99	7.523	54.2874	132.977	3.3724	415.51835602268
Cond-004019	NPD4089	NPD4089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3941904621	CCCC[NH+](C)Cc1c2oc(=O)cc(c3cc4c(oc3=O)ccc(Br)c4)c2ccc1[O-]	InChI=1S/C24H22BrNO5/c1-3-4-9-26(2)13-19-20(27)7-6-16-17(12-22(28)31-23(16)19)18-11-14-10-15(25)5-8-21(14)30-24(18)29/h5-8,10-12,27H,3-4,9,13H2,1-2H3	C24H22BrNO5	484.339	6	1	80.1	4	6	0	-1.4929	3.99726	3.33	4.655	66.1474	123.5527	3.1941	400.301180598941
Cond-004020	NPD409	NPD409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7085757894	[C@H](CC(C)C)(NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2)C(=O)OC	InChI=1S/C25H27NO7/c1-15(2)12-20(25(29)30-4)26-22(27)14-31-18-10-11-19-21(13-18)32-16(3)24(23(19)28)33-17-8-6-5-7-9-17/h5-11,13,15,20H,12,14H2,1-4H3,(H,26,27)/t20-/m1/s1	C25H27NO7	453.484	8	1	100.16	3	11	2	-0.866400000000001	4.81656000000001	3.33	5.518	70.9441	127.1622	3.386	428.250458349164
Cond-004021	NPD4090	NPD4090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6824505736	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C29H30N2O7/c1-14(2)25(28(34)35)31-23(33)13-30-22(32)12-20-15(3)19-11-21-24(18-9-7-6-8-10-18)17(5)37-27(21)16(4)26(19)38-29(20)36/h6-11,14,25H,12-13H2,1-5H3,(H,30,32)(H,31,33)(H,34,35)/t25-/m0/s1	C29H30N2O7	518.558	9	3	134.94	4	10	0	0.2943	4.16121000000001	3.66	4.731	81.33	146.7452	3.8548	479.901780958397
Cond-004022	NPD4091	NPD4091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.759758422	Cc1c2oc(=O)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C29H29NO6/c1-16-19(12-13-25(31)30-23(28(32)33)14-18-8-4-3-5-9-18)29(34)36-26-17(2)27-22(15-21(16)26)20-10-6-7-11-24(20)35-27/h3-5,8-9,15,23H,6-7,10-14H2,1-2H3,(H,30,31)(H,32,33)/t23-/m0/s1	C29H29NO6	487.544	7	2	105.84	5	8	1	-0.0146999999999977	5.10248000000001	3.88	6.018	74.1974	140.0765	3.6307	450.394794049669
Cond-004023	NPD4092	NPD4092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.060768037	CC(C)c1ccc(NC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)cc1	InChI=1S/C26H27NO4/c1-14(2)18-6-8-19(9-7-18)27-25(28)11-10-20-16(4)22-12-21-15(3)17(5)30-23(21)13-24(22)31-26(20)29/h6-9,12-14H,10-11H2,1-5H3,(H,27,28)	C26H27NO4	417.497	5	1	68.54	4	6	1	1.5902	6.85650000000001	3.77	6.089	63.6498	127.0317	3.2422	395.919304172547
Cond-004024	NPD4093	NPD4093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.2489936466	COc1cc(/C=C/2\Oc3c(C)c(OC(=O)C)ccc3C2=O)cc(OC)c1OC	InChI=1S/C21H20O7/c1-11-15(27-12(2)22)7-6-14-19(23)16(28-20(11)14)8-13-9-17(24-3)21(26-5)18(10-13)25-4/h6-10H,1-5H3/b16-8-	C21H20O7	384.379	7	0	80.29	3	6	0	0.00850000000000008	4.38939	3	3.346	55.777	106.9935	2.7656	350.70621833833
Cond-004025	NPD4094	NPD4094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.8437445796	O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1	InChI=1S/C20H23N3O3/c24-19(22-13-16-7-4-10-26-16)18-8-3-9-23(18)20(25)17-11-14-5-1-2-6-15(14)12-21-17/h1-2,4-7,10,17-18,21H,3,8-9,11-13H2,(H,22,24)/t17-,18-/m0/s1	C20H23N3O3	353.415	6	2	74.58	4	6	0	-2.6371	1.13699	3	2.649	51.2729	100.2234	2.6667	324.156066235519
Cond-004026	NPD4095	NPD4095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9619898836	CCn1c2c(cccc2)c2c1ccc(c2)N1COc2c(C1)cc1c(CC)cc(=O)oc1c2C	InChI=1S/C28H26N2O3/c1-4-18-13-26(31)33-28-17(3)27-19(12-22(18)28)15-29(16-32-27)20-10-11-25-23(14-20)21-8-6-7-9-24(21)30(25)5-2/h6-14H,4-5,15-16H2,1-3H3	C28H26N2O3	438.518	5	0	43.7	6	3	1	1.2654	7.61157000000001	3.99	6.223	57.5194	138.059	3.3049	394.468430829486
Cond-004027	NPD4096	NPD4096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1891723709	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCC3CC[C@@H](CC3)C(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C29H29NO6/c1-16-21-12-23-25(35-17(2)27(23)19-6-4-3-5-7-19)14-24(21)36-29(34)22(16)13-26(31)30-15-18-8-10-20(11-9-18)28(32)33/h3-7,12,14,18,20H,8-11,13,15H2,1-2H3,(H,30,31)(H,32,33)/t18?,20-	C29H29NO6	487.544	7	2	105.84	5	7	1	0.656300000000001	5.79879000000001	3.88	5.748	75.1776	141.7845	3.6307	450.394794049669
Cond-004028	NPD4097	NPD4097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.317305345	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)NCc1cc(OC)ccc1	InChI=1S/C19H18N2O3S/c1-24-13-6-4-5-12(9-13)10-20-17(22)16-11-25-19-15-8-3-2-7-14(15)18(23)21(16)19/h2-9,16,19H,10-11H2,1H3,(H,20,22)/t16-,19?/m0/s1	C19H18N2O3S	354.423	5	1	83.94	4	5	0	-0.732499999999999	1.9239	2.89	3.412	45.917	98.1927	2.5465	311.735886758285
Cond-004029	NPD4098	NPD4098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.7023228288	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N([C@H](C)c1ccccc1)C2=O	InChI=1S/C25H24ClN3O5/c1-12-10-15-21(16(26)11-12)27-24(34)25(15)20-19(17(28-25)8-9-18(30)31)22(32)29(23(20)33)13(2)14-6-4-3-5-7-14/h3-7,10-11,13,17,19-20,28H,8-9H2,1-2H3,(H,27,34)(H,30,31)/t13-,17?,19-,20+,25?/m1/s1	C25H24ClN3O5	481.928	8	3	115.81	5	5	0	-1.544	2.92091	3.22	3.24	71.163	125.0792	3.37340000000001	423.161675733208
Cond-004030	NPD4099	NPD4099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1693922382	Cc1c(CCC(=O)NCc2ccncc2)c(=O)oc2c(C)c(O)ccc12	InChI=1S/C20H20N2O4/c1-12-15-3-5-17(23)13(2)19(15)26-20(25)16(12)4-6-18(24)22-11-14-7-9-21-10-8-14/h3,5,7-10,23H,4,6,11H2,1-2H3,(H,22,24)	C20H20N2O4	352.384	6	2	88.52	3	6	0	0.2832	3.24209	3	1.926	49.3072	101.4647	2.6482	329.033074027113
Cond-004031	NPD41	NPD41	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.361986317	COC(=O)C1C[C@@]2(C)C(C[C@@H](O)[C@]2(O)C(=O)COC(=O)C)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C25H31FO8/c1-13(27)34-12-20(30)25(32)19(29)10-17-16-6-5-14-9-15(28)7-8-22(14,2)24(16,26)18(21(31)33-4)11-23(17,25)3/h7-9,16-19,29,32H,5-6,10-12H2,1-4H3/t16?,17?,18?,19-,22+,23+,24+,25+/m1/s1	C25H31FO8	478.507	8	2	127.2	4	6	0	-0.379800000000002	1.70587	3.22	1.383	116.9971	118.5366	3.426	452.100859794264
Cond-004032	NPD410	NPD410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9847184425	COc1cc2cc(nc(Cc3ccccc3)c2cc1OC)c1ccccc1	InChI=1S/C24H21NO2/c1-26-23-15-19-14-21(18-11-7-4-8-12-18)25-22(20(19)16-24(23)27-2)13-17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3	C24H21NO2	355.429	3	0	31.35	4	5	1	0.2176	5.77579	3.77	8.288	19.3862	110.435	2.8	330.210422818891
Cond-004033	NPD4100	NPD4100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5497687513	COc1c2c(oc(=O)c(CC(=O)NCCc3c[nH]c4ccccc34)c2C)cc(C)c1	InChI=1S/C24H24N2O4/c1-14-10-20(29-3)23-15(2)18(24(28)30-21(23)11-14)12-22(27)25-9-8-16-13-26-19-7-5-4-6-17(16)19/h4-7,10-11,13,26H,8-9,12H2,1-3H3,(H,25,27)	C24H24N2O4	404.458	6	2	80.42	4	7	0	0.464499999999999	4.12128	3.44	3.895	56.9448	120.2077	3.0602	372.32409512898
Cond-004034	NPD4101	NPD4101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.8274347083	Cc1c(CCC(=O)NCc2cc3c(OCO3)cc2)c(=O)oc2cc(O)ccc12	InChI=1S/C21H19NO6/c1-12-15-4-3-14(23)9-18(15)28-21(25)16(12)5-7-20(24)22-10-13-2-6-17-19(8-13)27-11-26-17/h2-4,6,8-9,23H,5,7,10-11H2,1H3,(H,22,24)	C21H19NO6	381.379	7	2	94.09	4	6	0	-0.661499999999999	3.62326	3	2.249	51.2772	105.5285	2.6981	340.556293145135
Cond-004035	NPD4103	NPD4103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.062302191	[C@@H]12C(Cc3ccc(O)c(O)c3)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC	InChI=1S/C29H25N3O7/c1-2-39-27(37)16-8-10-17(11-9-16)32-25(35)23-20(13-15-7-12-21(33)22(34)14-15)31-29(24(23)26(32)36)18-5-3-4-6-19(18)30-28(29)38/h3-12,14,20,23-24,31,33-34H,2,13H2,1H3,(H,30,38)/t20?,23-,24+,29?/m1/s1	C29H25N3O7	527.525	10	4	145.27	6	6	0	-3.0348	2.72429	3.55	3.215	62.3454	141.773	3.69440000000001	463.549165064164
Cond-004036	NPD4104	NPD4104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4369595817	COc1ccc2c(C)c(CC(=O)NCCc3cc(OC)c(OC)cc3)c(=O)oc2c1OC	InChI=1S/C24H27NO7/c1-14-16-7-9-19(29-3)23(31-5)22(16)32-24(27)17(14)13-21(26)25-11-10-15-6-8-18(28-2)20(12-15)30-4/h6-9,12H,10-11,13H2,1-5H3,(H,25,26)	C24H27NO7	441.474	8	1	92.32	3	10	0	0.0874999999999992	3.71447	3.22	2.586	70.0901	122.8937	3.2881	413.590932424097
Cond-004037	NPD4105	NPD4105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.3767359401	COc1cc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)ccc1OCc1ccc(C)cc1	InChI=1S/C30H32N2O3/c1-20-6-9-23(10-7-20)19-35-26-13-11-22(17-27(26)34-5)14-15-30-29(3,4)24-16-21(2)8-12-25(24)32(30)18-28(33)31-30/h6-17H,18-19H2,1-5H3,(H,31,33)/b15-14+	C30H32N2O3	468.587	5	1	50.8	5	6	1	1.6683	5.20611000000001	4.21	7.731	65.7967	139.6187	3.6953	452.31685878202
Cond-004038	NPD4106	NPD4106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	54.7331343868	COc1c(OC)c2c(cc1)C1N(CC(c3c1[nH]c1ccccc31)c1ccccc1)C2=O	InChI=1S/C26H22N2O3/c1-30-20-13-12-17-22(25(20)31-2)26(29)28-14-18(15-8-4-3-5-9-15)21-16-10-6-7-11-19(16)27-23(21)24(17)28/h3-13,18,24,27H,14H2,1-2H3	C26H22N2O3	410.464	5	1	54.56	6	3	1	-1.2319	4.50240000000001	3.77	5.948	37.0561	121.404	3.02310000000001	359.876461577752
Cond-004039	NPD4107	NPD4107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2948794581	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccccc1	InChI=1S/C29H27N3O3/c1-3-35-25-14-13-20(17-26(25)34-2)27-28-22(21-11-7-8-12-23(21)31-28)18-24(32-27)29(33)30-16-15-19-9-5-4-6-10-19/h4-14,17-18,31H,3,15-16H2,1-2H3,(H,30,33)	C29H27N3O3	465.543	6	2	76.24	5	9	1	-0.6412	6.10817000000001	3.99	7.458	38.8309	145.6557	3.5682	418.944716962719
Cond-004040	NPD4108	NPD4108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.3705740804	Cc1cc(=O)oc2c3CN(COc3ccc12)c1c(Cl)cc(Cl)cc1	InChI=1S/C18H13Cl2NO3/c1-10-6-17(22)24-18-12(10)3-5-16-13(18)8-21(9-23-16)15-4-2-11(19)7-14(15)20/h2-7H,8-9H2,1H3	C18H13Cl2NO3	362.207	4	0	38.77	4	1	0	2.0812	5.96726	2.78	4.106	45.5116	100.105	2.3871	295.356253407518
Cond-004041	NPD411	NPD411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6750930077	CCOC(=O)N/N=C(/C)\[C@@]1(O)[C@@H](CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C)OC(=O)C	InChI=1S/C28H42N2O7/c1-7-35-25(33)30-29-16(2)28(34)24(37-18(4)32)15-23-21-9-8-19-14-20(36-17(3)31)10-12-26(19,5)22(21)11-13-27(23,28)6/h8,20-24,34H,7,9-15H2,1-6H3,(H,30,33)/b29-16-/t20?,21?,22?,23?,24-,26+,27+,28-/m1/s1	C28H42N2O7	518.642	9	2	123.52	4	9	1	0.0792999999999986	3.69747000000001	3.55	5.074	132.4755	139.8095	4.0149	513.761007238131
Cond-004042	NPD4110	NPD4110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8450528936	CC(CN1COc2c(C1)cc1c(C)c(C)c(=O)oc1c2C)c1ccccc1	InChI=1S/C23H25NO3/c1-14(18-8-6-5-7-9-18)11-24-12-19-10-20-15(2)16(3)23(25)27-22(20)17(4)21(19)26-13-24/h5-10,14H,11-13H2,1-4H3	C23H25NO3	363.449	4	0	38.77	4	3	1	1.9327	5.15059000000001	3.55	5.86	57.3871	110.56	2.8468	351.414040995985
Cond-004043	NPD4111	NPD4111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.3931766641	COc1cccc(c1)C(=O)Oc1ccc2C(=O)/C(=C/C3=Cc4ccccc4OC3C)/Oc2c1	InChI=1S/C27H20O6/c1-16-19(12-17-6-3-4-9-23(17)31-16)14-25-26(28)22-11-10-21(15-24(22)33-25)32-27(29)18-7-5-8-20(13-18)30-2/h3-16H,1-2H3/b25-14-	C27H20O6	440.444	6	0	71.06	5	5	1	-0.4208	5.95135	3.77	6.443	50.2331	127.7565	3.16310000000001	399.533147188169
Cond-004044	NPD4112	NPD4112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.958308635	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)O	InChI=1S/C17H21N3O6/c1-9(16(23)18-8-14(21)22)19-17(24)11-7-10-12(25-3)5-6-13(26-4)15(10)20(11)2/h5-7,9H,8H2,1-4H3,(H,18,23)(H,19,24)(H,21,22)/t9-/m0/s1	C17H21N3O6	363.365	9	3	118.89	2	9	0	-1.8051	1.65447	2.34	0.0849999999999999	59.1121	99.9417000000001	2.6373	323.351709861202
Cond-004045	NPD4113	NPD4113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8333541194	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3ccc(C)cc3)c1C)c2	InChI=1S/C23H21NO4/c1-13-4-6-16(7-5-13)24-22(25)9-8-17-15(3)19-10-18-14(2)12-27-20(18)11-21(19)28-23(17)26/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)	C23H21NO4	375.417	5	1	68.54	4	5	0	1.2198	5.7523	3.44	4.515	49.1516	110.5137	2.8195	344.031350294946
Cond-004046	NPD4114	NPD4114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.8977576015	CCCCOc1ccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C27H25NO5/c1-2-3-15-31-21-11-9-20(10-12-21)28-26(29)18-32-22-13-14-23-24(19-7-5-4-6-8-19)17-27(30)33-25(23)16-22/h4-14,16-17H,2-3,15,18H2,1H3,(H,28,29)	C27H25NO5	443.491	6	1	73.86	4	10	1	-1.5835	6.38576	3.77	7.691	46.9909	131.0527	3.3558	416.732598097374
Cond-004047	NPD4115	NPD4115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3116158597	CCOc1c(OC)cc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)N1CCOCC1	InChI=1S/C25H25N3O4/c1-3-32-21-9-8-16(14-22(21)30-2)23-24-18(17-6-4-5-7-19(17)26-24)15-20(27-23)25(29)28-10-12-31-13-11-28/h4-9,14-15,26H,3,10-13H2,1-2H3	C25H25N3O4	431.484	7	1	76.68	5	6	0	-1.0161	4.60807000000001	3.44	3.512	50.1348	129.899	3.1923	377.360381262213
Cond-004048	NPD4116	NPD4116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9496946436	CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C25H28N4O6S/c1-15(21(30)27-19(24(33)34)12-13-36-2)26-22(31)20(14-16-8-4-3-5-9-16)29-23(32)17-10-6-7-11-18(17)28-25(29)35/h3-11,15,19-20H,12-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,35)(H,33,34)/t15-,19-,20-/m0/s1	C25H28N4O6S	512.578	10	4	173.7	3	13	2	-1.6485	2.25798	3	5.349	79.8678	140.4975	3.74720000000001	468.323077629903
Cond-004049	NPD4117	NPD4117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.625345689	[C@@H]12Cc3ccccc3CN1C(=O)N(CCCCCC(=O)N[C@H](CC(C)C)C(=O)O)C2=O	InChI=1S/C23H31N3O5/c1-15(2)12-18(22(29)30)24-20(27)10-4-3-7-11-25-21(28)19-13-16-8-5-6-9-17(16)14-26(19)23(25)31/h5-6,8-9,15,18-19H,3-4,7,10-14H2,1-2H3,(H,24,27)(H,29,30)/t18-,19+/m1/s1	C23H31N3O5	429.509	8	2	107.02	3	11	1	-1.8551	2.44579	3.11	3.561	82.4839	116.5625	3.3154	416.880932215041
Cond-004050	NPD4118	NPD4118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8643156007	CCc1c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cccc1	InChI=1S/C25H21NO4/c1-2-17-8-6-7-11-22(17)26-24(27)16-29-19-12-13-20-21(18-9-4-3-5-10-18)15-25(28)30-23(20)14-19/h3-15H,2,16H2,1H3,(H,26,27)	C25H21NO4	399.439	5	1	64.63	4	7	1	-0.609400000000001	5.76926	3.66	7.677	39.2882	120.0277	3.0153	373.35040214508
Cond-004051	NPD412	NPD412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3399623194	CCOc1cc(c/c(=N\c2ccc(C)cc2C)/c2c(C)oc(C)c12)c1cc2c(OCO2)cc1	InChI=1S/C28H27NO4/c1-6-30-26-14-21(20-8-10-24-25(13-20)32-15-31-24)12-23(27-18(4)33-19(5)28(26)27)29-22-9-7-16(2)11-17(22)3/h7-14H,6,15H2,1-5H3/b29-23+	C28H27NO4	441.518	5	0	53.19	5	4	1	1.9857	5.45845000000001	3.99	6.723	68.4428	128.941	3.3724	415.51835602268
Cond-004052	NPD4120	NPD4120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0158769536	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C)C(=O)O)c3)C2=O)ccc1	InChI=1S/C21H19NO7/c1-12(21(25)26)22-19(23)11-28-15-6-7-16-17(10-15)29-18(20(16)24)9-13-4-3-5-14(8-13)27-2/h3-10,12H,11H2,1-2H3,(H,22,23)(H,25,26)/b18-9-/t12-/m0/s1	C21H19NO7	397.378	8	2	111.16	3	8	0	-1.785	3.33226	2.89	3.192	53.9906	109.41	2.8224	359.066519845696
Cond-004053	NPD4121	NPD4121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8835628248	Cc1cc(=O)oc2c3CN(Cc4cc(Cl)c(Cl)cc4)COc3ccc12	InChI=1S/C19H15Cl2NO3/c1-11-6-18(23)25-19-13(11)3-5-17-14(19)9-22(10-24-17)8-12-2-4-15(20)16(21)7-12/h2-7H,8-10H2,1H3	C19H15Cl2NO3	376.233	4	0	38.77	4	2	0	2.0928	5.09627	2.89	4.049	50.2238	101.989	2.528	312.652238033385
Cond-004054	NPD4123	NPD4123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6623703083	CCCC12CN3CC(CCC)(CN(C1)C3c1c(C)c(O)nc(=O)[nH]1)C2=O	InChI=1S/C19H28N4O3/c1-4-6-18-8-22-10-19(7-5-2,16(18)25)11-23(9-18)15(22)13-12(3)14(24)21-17(26)20-13/h15H,4-11H2,1-3H3,(H2,20,21,24,26)	C19H28N4O3	360.451	7	2	85.24	1	5	0	-1.5238	1.47497	2.78	0.918	95.408	101.3175	2.7546	347.566217920219
Cond-004055	NPD4124	NPD4124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6883169113	Cc1c(CC(=O)NCCCc2ccccc2)c(=O)oc2c(O)c(O)ccc12	InChI=1S/C21H21NO5/c1-13-15-9-10-17(23)19(25)20(15)27-21(26)16(13)12-18(24)22-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,23,25H,5,8,11-12H2,1H3,(H,22,24)	C21H21NO5	367.395	6	3	95.86	3	7	0	-1.1071	3.48137	3.11	4.489	49.2813	104.6323	2.748	344.122525145374
Cond-004056	NPD4126	NPD4126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2309600595	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NC1CC1	InChI=1S/C18H22N2O4S/c1-18(2)14(15(21)19-9-5-6-9)20-16(22)12-10(17(20)25-18)7-8-11(23-3)13(12)24-4/h7-9,14,17H,5-6H2,1-4H3,(H,19,21)/t14-,17?/m1/s1	C18H22N2O4S	362.443	6	1	93.17	4	5	0	-0.839800000000002	2.0128	2.67	1.506	66.7975	97.5887	2.5933	322.039504935379
Cond-004057	NPD4127	NPD4127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.5331547059	CCC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C31H32N4O6/c1-3-19(2)25(28(37)34-26(30(39)40)21-14-8-5-9-15-21)33-27(36)24(18-20-12-6-4-7-13-20)35-29(38)22-16-10-11-17-23(22)32-31(35)41/h4-17,19,24-26H,3,18H2,1-2H3,(H,32,41)(H,33,36)(H,34,37)(H,39,40)/t19?,24-,25+,26-/m1/s1	C31H32N4O6	556.609	10	4	144.91	4	13	2	-2.7728	4.25148	3.77	7.5	69.1658	154.6194	4.19150000000001	522.424126524303
Cond-004058	NPD4128	NPD4128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6716477386	CCCCc1cc(=O)oc2cc(OCC(=O)NC(CCC)C(=O)O)ccc12	InChI=1S/C20H25NO6/c1-3-5-7-13-10-19(23)27-17-11-14(8-9-15(13)17)26-12-18(22)21-16(6-4-2)20(24)25/h8-11,16H,3-7,12H2,1-2H3,(H,21,22)(H,24,25)	C20H25NO6	375.416	7	2	101.93	2	11	1	-2.3002	3.47947	2.89	3.722	67.789	103.7905	2.8604	364.146143322469
Cond-004059	NPD4129	NPD4129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.944426446	CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C25H30N2O7/c1-7-11(2)21(24(30)31)27-20(29)10-26-19(28)9-18-13(4)17-8-16-12(3)15(6)33-22(16)14(5)23(17)34-25(18)32/h8,11,21H,7,9-10H2,1-6H3,(H,26,28)(H,27,29)(H,30,31)/t11-,21+/m1/s1	C25H30N2O7	470.515	9	3	134.94	3	10	0	0.260099999999998	2.86393	3.22	2.393	89.9099	128.6822	3.5288	441.88367725813
Cond-004060	NPD413	NPD413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.929672243	COC1OC2COC(OC2C(OC(=O)CNC(=O)OCc2ccccc2)C1OC(=O)CNC(=O)OCc1ccccc1)c1ccccc1	InChI=1S/C34H36N2O12/c1-41-32-30(47-27(38)18-36-34(40)44-20-23-13-7-3-8-14-23)29(28-25(45-32)21-42-31(48-28)24-15-9-4-10-16-24)46-26(37)17-35-33(39)43-19-22-11-5-2-6-12-22/h2-16,25,28-32H,17-21H2,1H3,(H,35,39)(H,36,40)	C34H36N2O12	664.656	14	2	166.18	5	18	3	-1.1703	1.72619	3.66	6.998	85.5493	165.2614	4.70120000000001	595.339920188934
Cond-004061	NPD4131	NPD4131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9624241827	CC1CCC[NH+](Cc2c3O/C(=C\c4cc5c(OCO5)cc4)/C(=O)c3ccc2[O-])C1	InChI=1S/C23H23NO5/c1-14-3-2-8-24(11-14)12-17-18(25)6-5-16-22(26)21(29-23(16)17)10-15-4-7-19-20(9-15)28-13-27-19/h4-7,9-10,14,25H,2-3,8,11-13H2,1H3/b21-10-	C23H23NO5	393.432	6	1	72.26	5	3	0	-2.8018	2.42237	3.33	3.409	54.1188	109.7787	2.8556	356.638035696308
Cond-004062	NPD4132	NPD4132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3371706446	CCCCc1cc(=O)oc2cc(C)c3c(coc3c12)c1ccc(Cl)cc1	InChI=1S/C22H19ClO3/c1-3-4-5-15-11-19(24)26-18-10-13(2)20-17(12-25-22(20)21(15)18)14-6-8-16(23)9-7-14/h6-12H,3-5H2,1-2H3	C22H19ClO3	366.837	3	0	39.44	4	4	1	0.8443	6.87419	3.44	6.181	44.6392	108.563	2.6855	324.795905231585
Cond-004063	NPD4133	NPD4133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9130668754	OC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O)C(=O)O	InChI=1S/C23H24N4O7/c28-19-13-27(18-9-5-4-8-15(18)24-19)23(34)26-17(12-14-6-2-1-3-7-14)21(31)25-16(22(32)33)10-11-20(29)30/h1-9,16-17H,10-13H2,(H,24,28)(H,25,31)(H,26,34)(H,29,30)(H,32,33)/t16-,17+/m1/s1	C23H24N4O7	468.459	11	5	168.63	3	12	2	-2.5305	2.50837	2.78	3.465	63.8329	126.8958	3.3606	424.01231102113
Cond-004064	NPD4134	NPD4134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7620198235	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(C2=O)c1cc2c(OCCO2)cc1	InChI=1S/C30H23ClN4O5/c31-16-5-7-21-19(12-16)30(29(38)33-21)26-25(22(34-30)11-15-14-32-20-4-2-1-3-18(15)20)27(36)35(28(26)37)17-6-8-23-24(13-17)40-10-9-39-23/h1-8,12-14,22,25-26,32,34H,9-11H2,(H,33,38)/t22?,25-,26+,30?/m1/s1	C30H23ClN4O5	554.98	9	3	112.76	8	3	0	-2.3369	5.25896	3.66	3.172	62.5122	154.5234	3.72290000000001	453.859606865908
Cond-004065	NPD4135	NPD4135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.803189668	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1	InChI=1S/C36H32N4O4/c1-44-24-17-15-23(16-18-24)21-37-34(41)30(19-22-9-3-2-4-10-22)39-35(42)31-20-28-25-11-7-8-14-29(25)38-32(28)33-26-12-5-6-13-27(26)36(43)40(31)33/h2-18,30-31,33,38H,19-21H2,1H3,(H,37,41)(H,39,42)/t30-,31-,33?/m0/s1	C36H32N4O4	584.664	8	3	103.53	7	10	1	-2.6048	3.93939000000001	4.54	8.123	57.4268	169.4624	4.36680000000001	527.181302748513
Cond-004066	NPD4136	NPD4136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.118867464	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCc3ccc(Cl)cc3)c(C)c1c2	InChI=1S/C24H22ClNO4/c1-13-15(3)29-21-11-22-20(10-19(13)21)14(2)18(24(28)30-22)8-9-23(27)26-12-16-4-6-17(25)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,27)	C24H22ClNO4	423.889	5	1	68.54	4	6	0	1.7732	5.12461	3.44	4.517	59.7098	120.1707	3.0828	376.538402691246
Cond-004067	NPD4137	NPD4137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6903773958	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CO	InChI=1S/C19H25N3O4S/c1-10(9-23)20-15(24)11(2)21-16(25)14-19(3,4)27-18-13-8-6-5-7-12(13)17(26)22(14)18/h5-8,10-11,14,18,23H,9H2,1-4H3,(H,20,24)(H,21,25)/t10-,11-,14+,18?/m0/s1	C19H25N3O4S	391.485	7	3	124.04	3	7	0	-1.2982	0.718699999999999	2.67	1.722	76.1812	105.6152	2.8996	360.052249769413
Cond-004068	NPD4138	NPD4138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8323225462	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC1=CCCCC1)c1ccc(C)cc1	InChI=1S/C35H34N4O3/c1-22-15-17-24(18-16-22)32-31-27(25-11-5-7-13-28(25)37-31)21-30-34(41)39(35(42)38(30)32)29-14-8-6-12-26(29)33(40)36-20-19-23-9-3-2-4-10-23/h5-9,11-18,30,32,37H,2-4,10,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H34N4O3	558.669	7	2	85.51	7	7	1	-1.0281	5.75919000000001	4.54	8.216	76.1167	164.8997	4.2532	517.268008823686
Cond-004069	NPD4139	NPD4139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.575094284	COc1c(OC)cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](C(C)O)C(=O)O)c3)C2=O)cc1	InChI=1S/C23H23NO9/c1-12(25)21(23(28)29)24-20(26)11-32-14-5-6-15-17(10-14)33-19(22(15)27)9-13-4-7-16(30-2)18(8-13)31-3/h4-10,12,21,25H,11H2,1-3H3,(H,24,26)(H,28,29)/b19-9-/t12?,21-/m1/s1	C23H23NO9	457.43	10	3	140.62	3	10	0	-2.3475	2.70176	2.89	1.865	67.2689	121.9688	3.2216	411.238942498552
Cond-004070	NPD414	NPD414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.1441080811	COc1ccc(cc1CSc1nc2c(s1)cccc2)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C26H23N3OS2/c1-30-22-11-10-16(14-17(22)15-31-26-29-21-8-4-5-9-23(21)32-26)24-25-19(12-13-27-24)18-6-2-3-7-20(18)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3	C26H23N3OS2	457.61	4	2	103.48	6	5	1	0.516999999999999	5.95787000000001	3.66	6.149	46.7769	132.9557	3.3325	379.410816499997
Cond-004071	NPD4140	NPD4140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.2477100364	CCCCCCOc1ccccc1/C=C/C12NC(=O)CCN1c1c(cc(C)cc1)C2(C)C	InChI=1S/C28H36N2O2/c1-5-6-7-10-19-32-25-12-9-8-11-22(25)15-17-28-27(3,4)23-20-21(2)13-14-24(23)30(28)18-16-26(31)29-28/h8-9,11-15,17,20H,5-7,10,16,18-19H2,1-4H3,(H,29,31)/b17-15+	C28H36N2O2	432.598	4	1	41.57	4	8	1	0.225599999999999	6.27919000000001	4.1	7.801	75.2233	133.6627	3.5924	440.100497632925
Cond-004072	NPD4141	NPD4141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2410516076	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCCCN3CCCC3=O)c1C)c2	InChI=1S/C22H24N2O5/c1-13-12-28-18-11-19-16(9-15(13)18)14(2)17(22(27)29-19)10-20(25)23-6-4-8-24-7-3-5-21(24)26/h9,11-12H,3-8,10H2,1-2H3,(H,23,25)	C22H24N2O5	396.436	7	1	88.85	4	7	0	-0.625800000000001	3.22409	3.11	1.458	70.7346	110.3827	2.9231	362.695269979408
Cond-004073	NPD4142	NPD4142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.7083888149	COc1ccc(cc1)c1c(NC(=O)c2cc(OC)ccc2)oc2ccccc2c1=O	InChI=1S/C24H19NO5/c1-28-17-12-10-15(11-13-17)21-22(26)19-8-3-4-9-20(19)30-24(21)25-23(27)16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,25,27)	C24H19NO5	401.411	6	1	73.86	4	6	1	-0.8748	4.36417	3.44	5.583	36.1775	115.7952	2.9331	364.844644219774
Cond-004074	NPD4143	NPD4143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4645448163	COc1c(OC)c2c(cc1)C(OC2=O)N1[C@@H](CCC1=O)C(=O)Nc1ccc(cc1)C(C)C	InChI=1S/C24H26N2O6/c1-13(2)14-5-7-15(8-6-14)25-22(28)17-10-12-19(27)26(17)23-16-9-11-18(30-3)21(31-4)20(16)24(29)32-23/h5-9,11,13,17,23H,10,12H2,1-4H3,(H,25,28)/t17-,23?/m0/s1	C24H26N2O6	438.473	8	1	94.17	4	7	0	-1.1695	3.90799000000001	3.22	4.511	64.0352	119.4837	3.2206	403.441007230902
Cond-004075	NPD4144	NPD4144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.9260004022	COCCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)c(C)c2oc1=O	InChI=1S/C27H29NO5/c1-16-20(11-12-23(29)28-13-8-14-31-4)27(30)33-25-17(2)26-22(15-21(16)25)24(18(3)32-26)19-9-6-5-7-10-19/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,28,29)	C27H29NO5	447.523	6	1	77.77	4	9	1	0.700700000000001	5.36241000000001	3.77	5.333	69.0338	133.4507	3.4418	422.005515498975
Cond-004076	NPD4145	NPD4145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.8911472125	OC1=NC(=O)C2(Cc3c(cccc3)N3CCN(CC23)c2ccccc2)C(=O)N1CCc1ccccc1	InChI=1S/C29H28N4O3/c34-26-29(27(35)33(28(36)30-26)16-15-21-9-3-1-4-10-21)19-22-11-7-8-14-24(22)32-18-17-31(20-25(29)32)23-12-5-2-6-13-23/h1-14,25H,15-20H2,(H,30,34,36)	C29H28N4O3	480.558	7	1	76.45	6	4	1	-0.6033	4.10847000000001	3.88	7.393	60.3765	143.7798	3.6024	442.021477170886
Cond-004077	NPD4146	NPD4146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8917371949	COc1cc2c(cc1OC)C(=NCC2)c1ccc(o1)c1c(Cl)cc(Cl)cc1	InChI=1S/C21H17Cl2NO3/c1-25-19-9-12-7-8-24-21(15(12)11-20(19)26-2)18-6-5-17(27-18)14-4-3-13(22)10-16(14)23/h3-6,9-11H,7-8H2,1-2H3	C21H17Cl2NO3	402.271	4	0	43.96	4	4	0	1.1683	5.53628	3.11	4.719	43.0622	111.782	2.7668	333.707748584318
Cond-004078	NPD4147	NPD4147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.944746002	CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C27H23NO6/c1-2-23(28-27(31)32-17-18-9-5-3-6-10-18)26(30)33-20-13-14-21-22(19-11-7-4-8-12-19)16-25(29)34-24(21)15-20/h3-16,23H,2,17H2,1H3,(H,28,31)	C27H23NO6	457.475	7	1	90.93	4	10	1	-0.482900000000001	4.86017000000001	3.66	8.637	47.2449	128.5607	3.37150000000001	422.886366097136
Cond-004079	NPD4148	NPD4148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.2839883623	COc1cc2c([nH]c3c2CCNC3c2c(O)n(Cc3ccccc3)c(S)nc2=O)cc1	InChI=1S/C23H22N4O3S/c1-30-14-7-8-17-16(11-14)15-9-10-24-20(19(15)25-17)18-21(28)26-23(31)27(22(18)29)12-13-5-3-2-4-6-13/h2-8,11,20,24-25,29H,9-10,12H2,1H3,(H,26,28,31)	C23H22N4O3S	434.511	7	3	128.75	5	4	1	-0.715900000000002	2.76156	3.11	5.087	62.7398	126.0935	3.1151	374.383969575686
Cond-004080	NPD4149	NPD4149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0214714863	CCc1ccccc1Oc1nc(=O)n2CCc3cc(OC)c(OC)cc3c2c1	InChI=1S/C22H22N2O4/c1-4-14-7-5-6-8-18(14)28-21-13-17-16-12-20(27-3)19(26-2)11-15(16)9-10-24(17)22(25)23-21/h5-8,11-13H,4,9-10H2,1-3H3	C22H22N2O4	378.421	6	0	60.36	4	5	0	-0.310699999999997	3.89006	3.22	4.445	58.5087	111.88	2.8214	351.268584578046
Cond-004081	NPD415	NPD415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.362780665	CCCCCCc1c(OC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C34H37NO6S/c1-3-4-5-9-13-25-21-29-27-14-10-15-28(27)33(36)41-32(29)22-31(25)40-34(37)30(20-24-11-7-6-8-12-24)35-42(38,39)26-18-16-23(2)17-19-26/h6-8,11-12,16-19,21-22,30,35H,3-5,9-10,13-15,20H2,1-2H3	C34H37NO6S	587.726	7	1	107.15	5	13	2	-1.6963	7.75577	4.32	10.548	80.3466	162.6657	4.4557	552.747282535802
Cond-004082	NPD4150	NPD4150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.7245780156	COc1c(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Br)ccc2)cccc1	InChI=1S/C26H20BrN3O2/c1-32-23-12-5-2-7-17(23)15-28-26(31)22-14-20-19-10-3-4-11-21(19)29-25(20)24(30-22)16-8-6-9-18(27)13-16/h2-14,29H,15H2,1H3,(H,28,31)	C26H20BrN3O2	486.36	5	2	67.01	5	6	1	-0.2066	6.64547	3.66	6.711	31.3686	138.8907	3.26180000000001	377.550155362124
Cond-004083	NPD4151	NPD4151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.9823699848	Cc1cc(C)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1	InChI=1S/C28H27NO3/c1-17-12-18(2)26(19(3)13-17)29-15-24-25(31-16-29)11-10-22-20(4)23(28(30)32-27(22)24)14-21-8-6-5-7-9-21/h5-13H,14-16H2,1-4H3	C28H27NO3	425.519	4	0	38.77	5	3	1	2.8859	6.41213000000001	4.1	8.224	54.2427	130.36	3.3137	406.728129322119
Cond-004084	NPD4152	NPD4152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.773261606	CC(C)c1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCc1ccccc1	InChI=1S/C30H29N3O/c1-20(2)22-14-16-23(17-15-22)28-29-25(24-12-6-7-13-26(24)32-29)19-27(33-28)30(34)31-18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,19-20,32H,8,11,18H2,1-2H3,(H,31,34)	C30H29N3O	447.571	4	2	57.78	5	8	1	-0.6963	7.21437000000001	4.32	10.525	37.4985	146.6407	3.59170000000001	418.660248187464
Cond-004085	NPD4153	NPD4153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1034465572	CCCOC(=O)c1c(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)sc2c1CCC(C)C2	InChI=1S/C25H31N3O3S2/c1-3-9-31-24(30)22-18-8-7-15(2)10-20(18)33-23(22)26-25(32)27-12-16-11-17(14-27)19-5-4-6-21(29)28(19)13-16/h4-6,15-17H,3,7-14H2,1-2H3,(H,26,32)/t15?,16-,17+/m0/s1	C25H31N3O3S2	485.662	6	1	122.21	5	7	0	0.291899999999999	3.64886	3.33	4.475	120.198	133.4417	3.5896	446.197578779253
Cond-004086	NPD4154	NPD4154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1635588837	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)NC(C(=O)O)c3ccccc3)c(C)c1c2)c1ccccc1	InChI=1S/C30H25NO6/c1-16-21-14-23-25(19-10-6-4-7-11-19)18(3)36-28(23)17(2)27(21)37-30(35)22(16)15-24(32)31-26(29(33)34)20-12-8-5-9-13-20/h4-14,26H,15H2,1-3H3,(H,31,32)(H,33,34)	C30H25NO6	495.523	7	2	105.84	5	7	1	0.558	5.42061000000001	3.99	7.389	55.0587	143.5145	3.64260000000001	448.881402573136
Cond-004087	NPD4155	NPD4155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7226494666	CCCCc1cc(=O)oc2cc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(Cl)cc12	InChI=1S/C27H27ClN2O7/c1-3-4-5-15-9-25(32)37-23-12-24(20(28)11-19(15)23)36-14(2)26(33)30-22(27(34)35)8-16-13-29-21-7-6-17(31)10-18(16)21/h6-7,9-14,22,29,31H,3-5,8H2,1-2H3,(H,30,33)(H,34,35)	C27H27ClN2O7	526.965	9	4	137.95	4	11	1	-1.7535	5.07416000000001	3.33	4.107	77.0722	143.6283	3.7384	463.157338177897
Cond-004088	NPD4156	NPD4156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9162658559	[C@@H]12C(C)NC3(C(=O)Nc4c3cccc4)[C@@H]1C(=O)N(Cc1ccc(OC)cc1)C2=O	InChI=1S/C22H21N3O4/c1-12-17-18(22(24-12)15-5-3-4-6-16(15)23-21(22)28)20(27)25(19(17)26)11-13-7-9-14(29-2)10-8-13/h3-10,12,17-18,24H,11H2,1-2H3,(H,23,28)/t12?,17-,18+,22?/m1/s1	C22H21N3O4	391.42	7	2	87.74	5	3	0	-2.4271	1.84379	3.11	2.02	53.9953	107.0964	2.8126	349.908886085413
Cond-004089	NPD4157	NPD4157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5115117077	CCc1ccccc1N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H21NO3/c1-3-16-8-4-7-11-21(16)25-13-17-12-20-18-9-5-6-10-19(18)24(26)28-23(20)15(2)22(17)27-14-25/h4-12H,3,13-14H2,1-2H3	C24H21NO3	371.428	4	0	38.77	5	2	1	0.734000000000001	6.09379	3.66	6.848	35.6075	115.936	2.7931	340.180649519452
Cond-004090	NPD4158	NPD4158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7113478325	CC[NH+](CC)Cc1c2O/C(=C\c3c(OC)c(OC)ccc3)/C(=O)c2ccc1[O-]	InChI=1S/C22H25NO5/c1-5-23(6-2)13-16-17(24)11-10-15-20(25)19(28-22(15)16)12-14-8-7-9-18(26-3)21(14)27-4/h7-12,24H,5-6,13H2,1-4H3/b19-12-	C22H25NO5	383.438	6	1	72.26	3	7	0	-2.0215	1.81998	3.22	3.167	55.9362	107.6487	2.9319	364.054968472041
Cond-004091	NPD416	NPD416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2871226559	CC(=O)C1C(c2ccco2)C(=C(CC1(C)O)Nc1ccccc1)C(=O)C	InChI=1S/C21H23NO4/c1-13(23)18-16(22-15-8-5-4-6-9-15)12-21(3,25)20(14(2)24)19(18)17-10-7-11-26-17/h4-11,19-20,22,25H,12H2,1-3H3	C21H23NO4	353.412	5	2	79.54	3	5	0	-1.7758	4.43847000000001	3.22	3.629	57.7529	101.8485	2.7323	337.968757145613
Cond-004092	NPD4160	NPD4160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.9213247938	[C@@H]12C(NC3(C(=O)Nc4c3cccc4Cl)[C@@H]1C(=O)N(Cc1ccc(OC)cc1)C2=O)C(C)O	InChI=1S/C23H22ClN3O5/c1-11(28)18-16-17(23(26-18)14-4-3-5-15(24)19(14)25-22(23)31)21(30)27(20(16)29)10-12-6-8-13(32-2)9-7-12/h3-9,11,16-18,26,28H,10H2,1-2H3,(H,25,31)/t11?,16-,17-,18?,23?/m0/s1	C23H22ClN3O5	455.891	8	3	107.97	5	4	0	-2.1935	1.85809	3	1.233	65.5734	118.1132	3.1346	391.206165182274
Cond-004093	NPD4161	NPD4161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.6097889202	CCOC(=O)c1c(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)sc2c1CCCC2	InChI=1S/C23H27N3O3S2/c1-2-29-22(28)20-16-6-3-4-8-18(16)31-21(20)24-23(30)25-11-14-10-15(13-25)17-7-5-9-19(27)26(17)12-14/h5,7,9,14-15H,2-4,6,8,10-13H2,1H3,(H,24,30)/t14-,15-/m0/s1	C23H27N3O3S2	457.609	6	1	122.21	5	6	0	0.0978999999999993	3.01276	3.11	3.609	109.0885	124.2777	3.3078	411.605609527519
Cond-004094	NPD4162	NPD4162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.924336393	Cc1c(C)c2ccc(OCC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)c(C)c2oc1=O	InChI=1S/C23H22ClNO6/c1-12-13(2)23(29)31-21-14(3)19(9-8-17(12)21)30-11-20(26)25-18(22(27)28)10-15-4-6-16(24)7-5-15/h4-9,18H,10-11H2,1-3H3,(H,25,26)(H,27,28)	C23H22ClNO6	443.877	7	2	101.93	3	8	0	1.3306	4.37879	3.11	3.792	65.3221	120.7715	3.1679	400.079330167302
Cond-004095	NPD4163	NPD4163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5380811078	COc1cc(OC)c(cc1)c1cc2ccc([O-])c(C[NH+]3CCC(C)CC3)c2oc1=O	InChI=1S/C24H27NO5/c1-15-8-10-25(11-9-15)14-20-21(26)7-4-16-12-19(24(27)30-23(16)20)18-6-5-17(28-2)13-22(18)29-3/h4-7,12-13,15,26H,8-11,14H2,1-3H3	C24H27NO5	409.475	6	1	72.26	4	5	0	-2.5683	3.48037000000001	3.44	3.693	58.5169	117.9417	3.1051	386.290479022974
Cond-004096	NPD4164	NPD4164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3470895302	COc1ccc(Cn2c(=O)c(C3NCCc4c3[nH]c3c4cccc3)c(O)nc2O)cc1	InChI=1S/C23H22N4O4/c1-31-14-8-6-13(7-9-14)12-27-22(29)18(21(28)26-23(27)30)20-19-16(10-11-24-20)15-4-2-3-5-17(15)25-19/h2-9,20,24-25,28H,10-12H2,1H3,(H,26,30)	C23H22N4O4	418.445	8	4	110.18	5	4	0	-0.697000000000001	2.38976	3.11	2.887	56.526	119.7363	3.0103	364.665172218647
Cond-004097	NPD4165	NPD4165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.948350964	CCCCc1cc(=O)oc2c3CN(CCc4cc(OC)c(OC)cc4)COc3ccc12	InChI=1S/C25H29NO5/c1-4-5-6-18-14-24(27)31-25-19(18)8-10-21-20(25)15-26(16-30-21)12-11-17-7-9-22(28-2)23(13-17)29-3/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3	C25H29NO5	423.501	6	0	57.23	4	8	0	-0.3481	5.35897000000001	3.55	4.929	69.1612	124.547	3.246	403.586463648841
Cond-004098	NPD4166	NPD4166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.7491963017	[C@H]1(C)[C@H](OC(=O)CCC(=O)NCC2CCCCC2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C26H41NO7/c1-16-9-10-20-17(2)23(31-24-26(20)19(16)13-14-25(3,32-24)33-34-26)30-22(29)12-11-21(28)27-15-18-7-5-4-6-8-18/h16-20,23-24H,4-15H2,1-3H3,(H,27,28)/t16-,17-,19+,20+,23-,24-,25+,26?/m1/s1	C26H41NO7	479.606	8	1	92.32	4	8	1	-0.594599999999995	4.44819000000001	3.44	5.16	107.0237	124.9817	3.6537	463.725195179831
Cond-004099	NPD4167	NPD4167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5180053331	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O	InChI=1S/C27H28ClN3O7/c1-13-10-15-23(16(28)11-13)29-26(36)27(15)22-21(17(30-27)5-7-20(32)33)24(34)31(25(22)35)9-8-14-4-6-18(37-2)19(12-14)38-3/h4,6,10-12,17,21-22,30H,5,7-9H2,1-3H3,(H,29,36)(H,32,33)/t17?,21-,22+,27?/m1/s1	C27H28ClN3O7	541.98	10	3	134.27	5	8	0	-1.3813	2.76071	3.22	1.617	85.662	139.1172	3.7726	475.334098386064
Cond-004100	NPD4168	NPD4168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.517879886	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(Cc1c(F)cccc1Cl)C2	InChI=1S/C23H17ClFNO3/c1-13-21-14(9-17-15-5-2-3-6-16(15)23(27)29-22(13)17)10-26(12-28-21)11-18-19(24)7-4-8-20(18)25/h2-9H,10-12H2,1H3	C23H17ClFNO3	409.837	4	0	38.77	5	2	1	1.6627	5.4529	3.33	5.954	36.4573	113.41	2.7923	344.163291514325
Cond-004101	NPD4169	NPD4169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.412063989	CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O)C(=O)O	InChI=1S/C23H26N4O5S/c1-33-12-11-17(22(30)31)25-21(29)18(13-15-7-3-2-4-8-15)26-23(32)27-14-20(28)24-16-9-5-6-10-19(16)27/h2-10,17-18H,11-14H2,1H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/t17-,18-/m0/s1	C23H26N4O5S	470.541	9	4	156.63	3	12	1	-1.621	3.39667	2.89	4.961	70.2668	133.025	3.4497	427.577340378408
Cond-004102	NPD4170	NPD4170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0346994603	COc1c(OC)cc(cc1)C1N2C[C@]3(C)CN1C[C@](C2)(C3=O)c1ccccc1	InChI=1S/C23H26N2O3/c1-22-12-24-14-23(21(22)26,17-7-5-4-6-8-17)15-25(13-22)20(24)16-9-10-18(27-2)19(11-16)28-3/h4-11,20H,12-15H2,1-3H3/t20?,22-,23+	C23H26N2O3	378.464	5	0	42.01	2	4	0	-0.259999999999999	2.75339	3.44	3.531	58.543	109.132	2.881	352.690801204152
Cond-004103	NPD4171	NPD4171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8110320632	Cc1cc(OCC(=O)NC(Cc2c[nH]c3c2cc(O)cc3)C(=O)O)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C25H24N2O7/c1-12-6-20(23-13(2)14(3)25(32)34-21(23)7-12)33-11-22(29)27-19(24(30)31)8-15-10-26-18-5-4-16(28)9-17(15)18/h4-7,9-10,19,26,28H,8,11H2,1-3H3,(H,27,29)(H,30,31)	C25H24N2O7	464.467	9	4	137.95	4	8	0	-0.294400000000001	3.28008000000001	3.22	2.387	65.5711	128.4293	3.3342	413.35430115573
Cond-004104	NPD4172	NPD4172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2494520821	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)O)c3)C2=O)cc1	InChI=1S/C27H23NO8/c1-34-19-8-4-17(5-9-19)13-24-26(31)21-11-10-20(14-23(21)36-24)35-15-25(30)28-22(27(32)33)12-16-2-6-18(29)7-3-16/h2-11,13-14,22,29H,12,15H2,1H3,(H,28,30)(H,32,33)/b24-13-/t22-/m1/s1	C27H23NO8	489.473	9	3	131.39	4	10	0	-2.2342	4.26066	3.44	4.228	55.5219	135.5468	3.4889	440.466819498258
Cond-004105	NPD4174	NPD4174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.8229094849	CCOc1c(Oc2nc(=O)n3CCc4cc(OC)c(OC)cc4c3c2)ccc(C=O)c1	InChI=1S/C23H22N2O6/c1-4-30-21-9-14(13-26)5-6-18(21)31-22-12-17-16-11-20(29-3)19(28-2)10-15(16)7-8-25(17)23(27)24-22/h5-6,9-13H,4,7-8H2,1-3H3	C23H22N2O6	422.431	8	0	86.66	4	7	0	-0.611399999999998	3.51078	3.11	3.183	66.0617	116.35	3.0367	383.508563904235
Cond-004106	NPD4175	NPD4175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.022448929	COC(=O)C(C)Oc1ccc2c(oc(=O)cc2c2cc3c(oc2=O)cccc3)c1	InChI=1S/C22H16O7/c1-12(21(24)26-2)27-14-7-8-15-16(11-20(23)28-19(15)10-14)17-9-13-5-3-4-6-18(13)29-22(17)25/h3-12H,1-2H3	C22H16O7	392.358	7	0	88.13	4	5	0	0.00679999999999972	3.30116	3.11	4.447	53.5343	105.394	2.7119	350.372826861796
Cond-004107	NPD4176	NPD4176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0242922863	CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C	InChI=1S/C30H29NO6/c1-4-25(31-30(34)35-18-22-13-9-6-10-14-22)29(33)36-26-16-15-23-19(2)24(17-21-11-7-5-8-12-21)28(32)37-27(23)20(26)3/h5-16,25H,4,17-18H2,1-3H3,(H,31,34)	C30H29NO6	499.554	7	1	90.93	4	11	2	1.1684	5.07421000000001	3.99	9.133	61.7051	142.3587	3.7942	474.774319974736
Cond-004108	NPD4178	NPD4178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.541401588	CCCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(F)cc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C26H24FNO6/c1-4-5-21(25(30)31)28-22(29)11-18-13(2)17-10-19-20(15-6-8-16(27)9-7-15)12-33-23(19)14(3)24(17)34-26(18)32/h6-10,12,21H,4-5,11H2,1-3H3,(H,28,29)(H,30,31)	C26H24FNO6	465.47	7	2	105.84	4	8	0	0.0734999999999988	5.31939000000001	3.44	4.238	61.9206	127.6945	3.3343	416.930857723175
Cond-004109	NPD4179	NPD4179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.8346793811	COc1cc2c(cc([nH]2)C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(OC)c1OC	InChI=1S/C23H25N3O5/c1-29-19-9-16-15(21(30-2)22(19)31-3)8-17(24-16)23(28)25-10-13-7-14(12-25)18-5-4-6-20(27)26(18)11-13/h4-6,8-9,13-14,24H,7,10-12H2,1-3H3/t13-,14-/m0/s1	C23H25N3O5	423.462	8	1	84.1	5	5	0	-1.9783	2.17227	3.11	0.389	84.6278	117.5265	3.0552	378.631556112641
Cond-004110	NPD418	NPD418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7199275017	[C@@H](CCSC)(NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)OC	InChI=1S/C20H26N4O5S/c1-28-19(26)16(8-9-30-2)23-18(25)17(10-15-11-21-13-22-15)24-20(27)29-12-14-6-4-3-5-7-14/h3-7,11,13,16-17H,8-10,12H2,1-2H3,(H,21,22)(H,23,25)(H,24,27)/t16-,17+/m0/s1	C20H26N4O5S	434.509	9	3	147.71	2	15	1	-0.758499999999999	0.434689999999999	2.56	3.377	68.4463	115.3184	3.2216	393.318762603208
Cond-004111	NPD4180	NPD4180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9944674965	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)CC)C(=O)NC(C)c1ccccc1	InChI=1S/C27H33N3O3S/c1-6-16(2)21(23(31)28-17(3)18-12-8-7-9-13-18)29-24(32)22-27(4,5)34-26-20-15-11-10-14-19(20)25(33)30(22)26/h7-17,21-22,26H,6H2,1-5H3,(H,28,31)(H,29,32)/t16?,17?,21-,22+,26?/m0/s1	C27H33N3O3S	479.634	6	2	103.81	4	9	1	-1.0041	3.7842	3.66	6.563	80.3513	136.9274	3.73050000000001	458.464065272586
Cond-004112	NPD4181	NPD4181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5197221533	CC(C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(occ3C(C)(C)C)cc2oc1=O)C(=O)O	InChI=1S/C25H30N2O7/c1-12(2)22(23(30)31)27-21(29)10-26-20(28)8-15-13(3)14-7-16-17(25(4,5)6)11-33-18(16)9-19(14)34-24(15)32/h7,9,11-12,22H,8,10H2,1-6H3,(H,26,28)(H,27,29)(H,30,31)/t22-/m1/s1	C25H30N2O7	470.515	9	3	134.94	3	10	0	0.768999999999998	3.70647000000001	3.22	2.898	89.2222	129.4162	3.5288	441.88367725813
Cond-004113	NPD4182	NPD4182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.1502497696	COc1cc2c(cc1OC)c1cc(NCc3ccccc3)nc(=O)n1CC2	InChI=1S/C21H21N3O3/c1-26-18-10-15-8-9-24-17(16(15)11-19(18)27-2)12-20(23-21(24)25)22-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,23,25)	C21H21N3O3	363.41	6	1	63.16	4	5	0	-1.1497	2.19817	3.11	3.86	54.0202	105.8967	2.7216	336.179133459785
Cond-004114	NPD4183	NPD4183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3105711766	CCOc1ccc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C24H21NO4/c1-3-27-18-10-8-17(9-11-18)25-13-16-12-21-19-6-4-5-7-20(19)24(26)29-23(21)15(2)22(16)28-14-25/h4-12H,3,13-14H2,1-2H3	C24H21NO4	387.428	5	0	48	5	3	1	0.6257	5.93009	3.55	5.935	36.8666	117.727	2.8518	348.970876220013
Cond-004115	NPD4184	NPD4184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.921835427	COc1c(OC)cc2c(oc(=O)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c2C)c1	InChI=1S/C22H21NO7/c1-12-14-9-17(28-2)18(29-3)11-16(14)30-22(27)15(12)10-19(24)23-20(21(25)26)13-7-5-4-6-8-13/h4-9,11,20H,10H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1	C22H21NO7	411.405	8	2	111.16	3	8	0	-0.473000000000001	2.93937	3	3.234	56.8366	110.8175	2.9633	376.362504471563
Cond-004116	NPD4185	NPD4185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.9900990099	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc(Cl)c(OC)cc1	InChI=1S/C22H22ClNO4/c1-3-4-5-14-10-21(25)28-22-16(14)7-9-19-17(22)12-24(13-27-19)15-6-8-20(26-2)18(23)11-15/h6-11H,3-5,12-13H2,1-2H3	C22H22ClNO4	399.867	5	0	48	4	5	1	0.180800000000001	6.49276	3.22	5.168	58.297	115.498	2.887	358.119350841113
Cond-004117	NPD4186	NPD4186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3420987348	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c3)C2=O)cc1	InChI=1S/C22H19NO9/c1-30-13-4-2-12(3-5-13)8-18-21(27)15-7-6-14(9-17(15)32-18)31-11-19(24)23-16(22(28)29)10-20(25)26/h2-9,16H,10-11H2,1H3,(H,23,24)(H,25,26)(H,28,29)/b18-8-/t16-/m0/s1	C22H19NO9	441.388	10	3	148.46	3	10	0	-2.0413	2.78706	2.78	2.098	59.8604	115.9888	3.0377	391.306499171885
Cond-004118	NPD4187	NPD4187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7411325451	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(CCc1ccccc1)C2	InChI=1S/C26H23NO3/c1-18-25-21(16-27(17-29-25)13-12-19-8-4-2-5-9-19)14-23-22(15-24(28)30-26(18)23)20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-17H2,1H3	C26H23NO3	397.466	4	0	38.77	5	4	1	0.8598	5.22789000000001	3.88	8.55	43.4444	121.102	3.0319	372.136160070385
Cond-004119	NPD4188	NPD4188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.2230916839	Cc1c([O-])cc2c(C[NH+]3CCN(CC3)c3ccc(F)cc3)cc(=O)oc2c1	InChI=1S/C21H21FN2O3/c1-14-10-20-18(12-19(14)25)15(11-21(26)27-20)13-23-6-8-24(9-7-23)17-4-2-16(22)3-5-17/h2-5,10-12,25H,6-9,13H2,1H3	C21H21FN2O3	368.401	5	1	57.04	4	3	0	-0.970699999999998	3.03888	3.11	2.795	48.1487	105.4917	2.6825	333.886390802725
Cond-004120	NPD4189	NPD4189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.742322061	COCCOC(=O)C(=O)c1c(c(c2n1ccc1cc(OC)c(OC)cc21)c1ccc(OC)c(OC)c1)c1ccccc1	InChI=1S/C33H31NO8/c1-37-15-16-42-33(36)32(35)31-28(20-9-7-6-8-10-20)29(22-11-12-24(38-2)25(18-22)39-3)30-23-19-27(41-5)26(40-4)17-21(23)13-14-34(30)31/h6-14,17-19H,15-16H2,1-5H3	C33H31NO8	569.601	9	0	93.93	5	12	2	-0.577499999999999	6.56908	4.1	6.11	60.5391	165.2005	4.1827	507.449809851858
Cond-004121	NPD419	NPD419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.204018729	CCCc1c(c(=O)c2c(o1)cc(O)c(CC)c2)c1cc2c(OCO2)cc1	InChI=1S/C21H20O5/c1-3-5-17-20(13-6-7-16-19(9-13)25-11-24-16)21(23)14-8-12(4-2)15(22)10-18(14)26-17/h6-10,22H,3-5,11H2,1-2H3	C21H20O5	352.38	5	1	64.99	4	4	0	-1.0297	5.12686	3.22	4.216	49.0406	103.276	2.5826	323.405764937207
Cond-004122	NPD4190	NPD4190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3505733677	CCC(C)[C@H](NC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)O	InChI=1S/C25H32N4O5/c1-6-14(4)18(22(31)32)27-21(30)19(13(2)3)29-23(33)25(5)20-16(11-12-28(25)24(29)34)15-9-7-8-10-17(15)26-20/h7-10,13-14,18-19,26H,6,11-12H2,1-5H3,(H,27,30)(H,31,32)/t14?,18-,19-,25-/m0/s1	C25H32N4O5	468.545	9	3	122.81	4	8	0	-1.469	2.65958	3.22	2.815	88.3034	129.8885	3.5454	436.576744273342
Cond-004123	NPD4191	NPD4191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.7983662084	CC1(C)CC(CC(C)(C)N1)NC(=O)[C@@H]1CCC(=O)N1C1OC(=O)c2c1cccc2	InChI=1S/C22H29N3O4/c1-21(2)11-13(12-22(3,4)24-21)23-18(27)16-9-10-17(26)25(16)19-14-7-5-6-8-15(14)20(28)29-19/h5-8,13,16,19,24H,9-12H2,1-4H3,(H,23,27)/t16-,19?/m0/s1	C22H29N3O4	399.483	7	2	87.74	4	4	0	-0.4102	1.954	3.11	3.235	78.2733	109.4344	3.0502	381.074720888614
Cond-004124	NPD4192	NPD4192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9592532191	CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C27H25NO6S/c1-4-23(28-35(31,32)20-12-10-17(2)11-13-20)27(30)33-24-15-14-21-22(19-8-6-5-7-9-19)16-25(29)34-26(21)18(24)3/h5-16,23,28H,4H2,1-3H3	C27H25NO6S	491.555	7	1	107.15	4	8	1	-0.0630000000000007	5.3772	3.55	7.764	55.8857	131.6207	3.57800000000001	444.031848855536
Cond-004125	NPD4193	NPD4193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4149113354	COc1cc(OC)c(Cl)cc1N1COc2c(C1)cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C22H22ClNO5/c1-11-12(2)22(25)29-21-13(3)20-14(6-15(11)21)9-24(10-28-20)17-7-16(23)18(26-4)8-19(17)27-5/h6-8H,9-10H2,1-5H3	C22H22ClNO5	415.867	6	0	57.23	4	3	0	2.4284	5.74918	3.11	3.415	64.3868	116.456	2.9457	366.909577541674
Cond-004126	NPD4194	NPD4194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2432692071	CCCc1cc(=O)oc2c(C)c3c(CN(Cc4c(Cl)cccc4)CO3)cc12	InChI=1S/C22H22ClNO3/c1-3-6-15-10-20(25)27-22-14(2)21-17(9-18(15)22)12-24(13-26-21)11-16-7-4-5-8-19(16)23/h4-5,7-10H,3,6,11-13H2,1-2H3	C22H22ClNO3	383.868	4	0	38.77	4	4	1	1.1742	5.25109	3.33	5.309	58.2839	109.853	2.8283	349.329124140552
Cond-004127	NPD4195	NPD4195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.759754643	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)ccc12	InChI=1S/C33H27NO7/c1-21-28(18-17-26-27(19-29(35)41-31(21)26)23-13-15-25(38-2)16-14-23)40-32(36)30(24-11-7-4-8-12-24)34-33(37)39-20-22-9-5-3-6-10-22/h3-19,30H,20H2,1-2H3,(H,34,37)	C33H27NO7	549.57	8	1	100.16	5	11	2	0.343999999999999	6.07389000000001	4.21	9.377	51.2525	155.4057	4.03800000000001	504.286665749697
Cond-004128	NPD4196	NPD4196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.7215092083	C1(C)C(OC(=O)CCC(=O)NCCCC(=O)ON2C(=O)CCC2=O)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC1C24OO3	InChI=1S/C27H38N2O11/c1-15-6-7-18-16(2)24(36-25-27(18)17(15)12-13-26(3,37-25)39-40-27)35-22(33)11-8-19(30)28-14-4-5-23(34)38-29-20(31)9-10-21(29)32/h15-18,24-25H,4-14H2,1-3H3,(H,28,30)/t15-,16?,17+,18?,24?,25+,26?,27?/m1/s1	C27H38N2O11	566.597	13	1	156	4	12	2	-0.968700000000001	1.84309	3	1.644	121.8164	135.8687	4.0002	519.269470713709
Cond-004129	NPD4197	NPD4197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8456379149	CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2CC(OC)[C@@H](O)C(C)O2)[C@@H](C)[C@H](O[C@@H]2OC(C)CC(C2OC(=O)CC)N(C)C)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O	InChI=1S/C39H69NO14/c1-14-27-39(10,47)34(44)21(5)30(42)19(3)18-38(9,46)35(54-37-33(52-28(41)15-2)25(40(11)12)16-20(4)49-37)22(6)32(23(7)36(45)51-27)53-29-17-26(48-13)31(43)24(8)50-29/h19-27,29,31-35,37,43-44,46-47H,14-18H2,1-13H3/t19-,20?,21+,22+,23-,24?,25?,26?,27-,29-,31-,32+,33?,34-,35-,37-,38-,39-/m0/s1	C39H69NO14	775.963	15	4	199.98	3	10	1	-2.2118	2.59029000000001	4.1	1.717	191.0182	199.0482	6.07050000000002	772.181040920819
Cond-004130	NPD4198	NPD4198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.6468267666	OC1(C(=O)Nc2c1cc(Br)cc2Br)c1c[nH]c2c1cccc2	InChI=1S/C16H10Br2N2O2/c17-8-5-10-14(12(18)6-8)20-15(21)16(10,22)11-7-19-13-4-2-1-3-9(11)13/h1-7,19,22H,(H,20,21)	C16H10Br2N2O2	422.071	4	3	65.12	4	1	0	-0.0228000000000002	4.17379	2.56	3.929	32.8073	95.5495	2.2516	260.215920077656
Cond-004131	NPD4199	NPD4199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	19.099009901	Cc1cc(=O)oc2c3CN(COc3ccc12)c1cc(ccc1)C(F)(F)F	InChI=1S/C19H14F3NO3/c1-11-7-17(24)26-18-14(11)5-6-16-15(18)9-23(10-25-16)13-4-2-3-12(8-13)19(20,21)22/h2-8H,9-10H2,1H3	C19H14F3NO3	361.315	4	0	38.77	4	2	1	1.6907	5.33816	2.78	5.028	40.715	94.309	2.3363	300.432779043437
Cond-004132	NPD42	NPD42	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5890410959	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CCC	InChI=1S/C32H53ClO2/c1-5-7-8-9-10-11-13-23-15-17-27-26-16-14-24-22-25(35-30(34)29(33)12-6-2)18-20-32(24,4)28(26)19-21-31(23,27)3/h14,23,25-29H,5-13,15-22H2,1-4H3/t23?,25-,26?,27?,28?,29?,31+,32-/m0/s1	C32H53ClO2	505.215	2	0	26.3	4	12	2	-0.635900000000001	9.79538	4.65	12.837	131.9937	150.588	4.3368	540.120735695292
Cond-004133	NPD420	NPD420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0712582276	COc1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	InChI=1S/C20H25NO6/c1-23-15-7-6-13(10-16(15)24-2)8-9-21-20(22)14-11-17(25-3)19(27-5)18(12-14)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)	C20H25NO6	375.416	7	1	75.25	2	10	0	-0.626599999999998	2.67049	2.89	2.236	53.1845	104.7027	2.8604	353.246143322469
Cond-004134	NPD4200	NPD4200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8409914764	Cc1cc(C)c(N2COc3c(C2)cc2c(cc(=O)oc2c3C)c2ccccc2)c(C)c1	InChI=1S/C27H25NO3/c1-16-10-17(2)25(18(3)11-16)28-14-21-12-23-22(20-8-6-5-7-9-20)13-24(29)31-27(23)19(4)26(21)30-15-28/h5-13H,14-15H2,1-4H3	C27H25NO3	411.492	4	0	38.77	5	2	1	2.5186	5.85565000000001	3.99	7.952	50.7867	124.781	3.1728	389.432144696252
Cond-004135	NPD4202	NPD4202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1357624966	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)Nc1ccc(cc1)C(C)C)c1ccc(F)cc1	InChI=1S/C35H29FN4O3/c1-20(2)21-13-17-24(18-14-21)37-33(41)26-8-4-6-10-29(26)40-34(42)30-19-27-25-7-3-5-9-28(25)38-31(27)32(39(30)35(40)43)22-11-15-23(36)16-12-22/h3-18,20,30,32,38H,19H2,1-2H3,(H,37,41)/t30-,32?/m0/s1	C35H29FN4O3	572.628	7	2	85.51	7	6	1	-0.898900000000001	7.29957000000001	4.43	9.004	52.352	166.7137	4.18490000000001	507.162650272392
Cond-004136	NPD4203	NPD4203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.6238692152	Cc1c2oc(=O)cc(C[NH+]3CCN(CC3)c3cccc(Cl)c3)c2ccc1[O-]	InChI=1S/C21H21ClN2O3/c1-14-19(25)6-5-18-15(11-20(26)27-21(14)18)13-23-7-9-24(10-8-23)17-4-2-3-16(22)12-17/h2-6,11-12,25H,7-10,13H2,1H3	C21H21ClN2O3	384.856	5	1	57.04	4	3	0	-0.706099999999998	3.55318	3.11	2.932	52.8918	110.5437	2.7872	343.029899722852
Cond-004137	NPD4204	NPD4204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.116958482	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NC1CCCCC1)c1cc(OC)ccc1	InChI=1S/C33H32N4O4/c1-41-24-11-7-8-21(18-24)30-29-26(25-12-5-6-13-27(25)35-29)19-28-32(39)36(33(40)37(28)30)23-16-14-20(15-17-23)31(38)34-22-9-3-2-4-10-22/h5-8,11-18,22,28,30,35H,2-4,9-10,19H2,1H3,(H,34,38)/t28-,30?/m0/s1	C33H32N4O4	548.632	8	2	94.74	7	6	1	-3.4937	5.25578000000001	4.21	6.275	62.4834	158.9197	4.07310000000001	494.102724973314
Cond-004138	NPD4205	NPD4205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.7540628386	CCCOc1ccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC	InChI=1S/C25H30N2O3/c1-6-13-30-21-10-8-18(15-22(21)29-5)11-12-25-24(3,4)19-14-17(2)7-9-20(19)27(25)16-23(28)26-25/h7-12,14-15H,6,13,16H2,1-5H3,(H,26,28)/b12-11+	C25H30N2O3	406.517	5	1	50.8	4	6	1	0.789600000000001	4.72739000000001	3.66	5.281	69.1049	121.7467	3.2284	397.002770455886
Cond-004139	NPD4207	NPD4207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.8627856555	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cc(C)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccccc1	InChI=1S/C30H27N3O3/c1-17-15-18(2)25-21(16-17)30(28(36)32-25)29(20-11-6-7-12-22(20)31-27(29)35)24(23-13-8-14-33(23)30)26(34)19-9-4-3-5-10-19/h3-7,9-12,15-16,23-24H,8,13-14H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,29+,30+/m0/s1	C30H27N3O3	477.554	6	2	78.51	7	2	1	-1.6504	4.90492000000001	4.1	5.236	56.6096	137.9869	3.5349	435.964242887786
Cond-004140	NPD4208	NPD4208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5464629756	CCOc1ccccc1Oc1coc2cc(OCc3ccc(C=C)cc3)ccc2c1=O	InChI=1S/C26H22O5/c1-3-18-9-11-19(12-10-18)16-29-20-13-14-21-24(15-20)30-17-25(26(21)27)31-23-8-6-5-7-22(23)28-4-2/h3,5-15,17H,1,4,16H2,2H3	C26H22O5	414.45	5	0	53.99	4	8	1	-0.3084	6.17675	3.77	8.014	45.5603	123.643	3.1151	388.439853263341
Cond-004141	NPD421	NPD421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0125539622	COc1ccc(cc1)N1C2N(C(=O)c3c2ccc(OC)c3OC)c2c(cc(OC)c(OC)c2)C1=O	InChI=1S/C26H24N2O7/c1-31-15-8-6-14(7-9-15)27-24-16-10-11-19(32-2)23(35-5)22(16)26(30)28(24)18-13-21(34-4)20(33-3)12-17(18)25(27)29/h6-13,24H,1-5H3	C26H24N2O7	476.478	9	0	86.77	5	6	0	-1.3964	4.20338	3.33	3.021	54.6395	131.1135	3.3665	418.293827080797
Cond-004142	NPD4210	NPD4210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2082088065	CCc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3c2ccc(OC)c3OC)cc1	InChI=1S/C23H24N2O6/c1-4-13-5-7-14(8-6-13)24-21(27)16-10-12-18(26)25(16)22-15-9-11-17(29-2)20(30-3)19(15)23(28)31-22/h5-9,11,16,22H,4,10,12H2,1-3H3,(H,24,27)	C23H24N2O6	424.446	8	1	94.17	4	7	0	-1.4355	3.34699	3.11	4.003	60.1179	114.7727	3.0797	386.145022605035
Cond-004143	NPD4211	NPD4211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0255249074	COc1ccc2[nH]c3c(CCN4C(=O)N([C@@H](C)C(=O)Nc5ccc(F)cc5)C(=O)[C@]34C)c2c1	InChI=1S/C24H23FN4O4/c1-13(21(30)26-15-6-4-14(25)5-7-15)29-22(31)24(2)20-17(10-11-28(24)23(29)32)18-12-16(33-3)8-9-19(18)27-20/h4-9,12-13,27H,10-11H2,1-3H3,(H,26,30)/t13-,24-/m0/s1	C24H23FN4O4	450.462	8	2	94.74	5	5	0	-1.0625	3.15857	3.11	2.664	60.2349	123.1387	3.1689	388.02871569482
Cond-004144	NPD4212	NPD4212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.4041516421	C[C@]12N(CC(c3c1[nH]c1ccccc31)c1ccc(Cl)cc1)C(=O)CN(CCc1ccccc1F)C2=O	InChI=1S/C29H25ClFN3O2/c1-29-27-26(21-7-3-5-9-24(21)32-27)22(18-10-12-20(30)13-11-18)16-34(29)25(35)17-33(28(29)36)15-14-19-6-2-4-8-23(19)31/h2-13,22,32H,14-17H2,1H3/t22?,29-/m0/s1	C29H25ClFN3O2	501.979	5	1	56.41	6	4	1	-0.2687	5.08869000000001	3.88	6.04	54.7177	140.62	3.584	432.613116882898
Cond-004145	NPD4214	NPD4214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1444114738	CCCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCCO)c12	InChI=1S/C23H31NO6/c1-4-5-7-15-12-20(27)29-22-16-8-9-23(2,3)30-17(16)13-18(21(15)22)28-14-19(26)24-10-6-11-25/h12-13,25H,4-11,14H2,1-3H3,(H,24,26)	C23H31NO6	417.495	7	2	94.09	3	10	0	-1.3457	4.21296000000001	3.22	3.164	85.1299	119.1175	3.2175	406.314097200069
Cond-004146	NPD4215	NPD4215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.1174818629	COc1cccc(C2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3c2c2ccccc2[nH]3)c1OC	InChI=1S/C30H29N3O4/c1-30-28-26(21-12-7-8-14-23(21)31-28)22(20-13-9-15-24(36-2)27(20)37-3)17-33(30)25(34)18-32(29(30)35)16-19-10-5-4-6-11-19/h4-15,22,31H,16-18H2,1-3H3/t22?,30-/m0/s1	C30H29N3O4	495.569	7	1	74.87	6	5	1	-1.8519	3.93139000000001	3.99	5.161	58.4094	143.133	3.7022	446.210928289147
Cond-004147	NPD4216	NPD4216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.0823616968	COc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC1CCCO1	InChI=1S/C24H23N3O3/c1-29-21-11-5-3-9-17(21)22-23-18(16-8-2-4-10-19(16)26-23)13-20(27-22)24(28)25-14-15-7-6-12-30-15/h2-5,8-11,13,15,26H,6-7,12,14H2,1H3,(H,25,28)	C24H23N3O3	401.458	6	2	76.24	5	6	0	-1.8643	4.64577000000001	3.44	4.355	38.3219	123.3147	2.9927	351.274169935786
Cond-004148	NPD4217	NPD4217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.237203435	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC)c1ccc(C)cc1	InChI=1S/C30H28N4O3/c1-3-16-31-28(35)21-9-5-7-11-24(21)34-29(36)25-17-22-20-8-4-6-10-23(20)32-26(22)27(33(25)30(34)37)19-14-12-18(2)13-15-19/h4-15,25,27,32H,3,16-17H2,1-2H3,(H,31,35)/t25-,27?/m0/s1	C30H28N4O3	492.568	7	2	85.51	6	6	1	-1.5346	4.35250000000001	3.99	6.839	56.2363	144.2927	3.7003	445.781003095953
Cond-004149	NPD4218	NPD4218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5037719212	CCn1c2c(cccc2)c2c1ccc(c2)N1COc2c(C1)cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C28H26N2O3/c1-5-30-24-9-7-6-8-21(24)23-13-20(10-11-25(23)30)29-14-19-12-22-16(2)17(3)28(31)33-27(22)18(4)26(19)32-15-29/h6-13H,5,14-15H2,1-4H3	C28H26N2O3	438.518	5	0	43.7	6	2	1	2.1536	7.61157000000001	3.99	5.94	57.0281	138.059	3.3049	394.468430829486
Cond-004150	NPD4219	NPD4219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4909451749	COc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCO	InChI=1S/C21H19N3O3/c1-27-14-6-4-5-13(11-14)19-20-16(15-7-2-3-8-17(15)23-20)12-18(24-19)21(26)22-9-10-25/h2-8,11-12,23,25H,9-10H2,1H3,(H,22,26)	C21H19N3O3	361.394	6	3	87.24	4	6	0	-1.5441	3.45907	3.11	3.082	30.0463	111.4265	2.6786	311.742674758985
Cond-004151	NPD422	NPD422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1220915687	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(=O)C)C(=O)C)C3CCC2=C1	InChI=1S/C25H36O5/c1-15(26)25(30-17(3)28)13-10-22-20-7-6-18-14-19(29-16(2)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h14,19-22H,6-13H2,1-5H3/t19?,20?,21?,22?,23-,24-,25-/m0/s1	C25H36O5	416.55	5	0	69.67	4	5	0	0.611900000000001	4.93188000000001	3.66	4.788	110.5108	115.408	3.3182	424.935538243875
Cond-004152	NPD4220	NPD4220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1213668013	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(occ3C)c(C)c2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-6-10(2)18(21(25)26)23-17(24)8-16-12(4)15-7-14-11(3)9-28-19(14)13(5)20(15)29-22(16)27/h7,9-10,18H,6,8H2,1-5H3,(H,23,24)(H,25,26)/t10-,18+/m1/s1	C22H25NO6	399.437	7	2	105.84	3	7	0	0.6572	3.73891	3.11	2.724	72.1739	109.6035	2.9906	372.845195172602
Cond-004153	NPD4221	NPD4221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.7524869497	CC1C2CC(CC2C2CCCC(C)C2O)C1(C)C.CC1CCCC(C2CC3CCC2(C)C3(C)C)C1O	InChI=1S/2C17H30O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4;1-11-6-5-7-13(15(11)18)14-10-12-8-9-17(14,4)16(12,2)3/h10-16,18H,5-9H2,1-4H3;11-15,18H,5-10H2,1-4H3	C34H60O2	500.839	1	1	20.23	3	1	1	-0.206100000000002	4.10180000000001	3.22	6.096	69.415	75.1608000000001	2.2368	274.309047938695
Cond-004154	NPD4222	NPD4222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.7310231434	CCOC(=O)C1=C(N)Oc2c(c(=O)oc(C)c2)C21C(=O)N1c3c(cc(OC)cc23)C(=CC1(C)C)C	InChI=1S/C26H26N2O7/c1-7-33-22(29)19-21(27)35-17-8-13(3)34-23(30)18(17)26(19)16-10-14(32-6)9-15-12(2)11-25(4,5)28(20(15)16)24(26)31/h8-11H,7,27H2,1-6H3	C26H26N2O7	478.494	9	2	119.08	5	4	0	0.2858	3.28282	3.33	3.078	105.1058	127.6629	3.4095	431.830285781597
Cond-004155	NPD4223	NPD4223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.6435779367	Clc1c(Cl)c(ccc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C23H15Cl2NO3/c24-18-7-4-8-19(22(18)25)26-12-17-20(28-13-26)10-9-15-16(11-21(27)29-23(15)17)14-5-2-1-3-6-14/h1-11H,12-13H2	C23H15Cl2NO3	424.276	4	0	38.77	5	2	1	1.4392	6.99566	3.33	7.274	40.0095	119.975	2.854	350.670341733652
Cond-004156	NPD4224	NPD4224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	74.6140694303	Cc1c2oc(=O)cc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c2ccc1O	InChI=1S/C21H19NO7/c1-11-17(24)7-6-15-13(10-19(26)29-20(11)15)9-18(25)22-16(21(27)28)8-12-2-4-14(23)5-3-12/h2-7,10,16,23-24H,8-9H2,1H3,(H,22,25)(H,27,28)/t16-/m0/s1	C21H19NO7	397.378	8	4	133.16	3	7	0	-1.1387	2.60769	2.89	1.641	53.3446	108.2803	2.8224	359.066519845696
Cond-004157	NPD4225	NPD4225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.5945684763	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)N3CCCCC3C(=O)O)c(C)c1c2	InChI=1S/C23H25NO6/c1-12-14(3)29-19-11-20-17(10-16(12)19)13(2)15(23(28)30-20)7-8-21(25)24-9-5-4-6-18(24)22(26)27/h10-11,18H,4-9H2,1-3H3,(H,26,27)	C23H25NO6	411.448	7	1	97.05	4	5	0	-0.231999999999998	3.96001000000001	3.22	2.637	73.3711	114.6158	3.0229	377.784721097669
Cond-004158	NPD4226	NPD4226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7826779636	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C32H34N4O6/c1-20(2)17-25(28(37)34-26(31(40)41)18-21-11-5-3-6-12-21)33-29(38)27(19-22-13-7-4-8-14-22)36-30(39)23-15-9-10-16-24(23)35-32(36)42/h3-16,20,25-27H,17-19H2,1-2H3,(H,33,38)(H,34,37)(H,35,42)(H,40,41)/t25-,26+,27-/m0/s1	C32H34N4O6	570.636	10	4	148.4	4	14	2	-1.2254	3.77378000000001	3.88	9.078	76.4401	161.4255	4.33240000000001	539.720111150169
Cond-004159	NPD4227	NPD4227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.108752018	COc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C22H19N3O4/c1-12(22(27)28)23-21(26)18-11-16-15-8-3-4-9-17(15)24-20(16)19(25-18)13-6-5-7-14(10-13)29-2/h3-12,24H,1-2H3,(H,23,26)(H,27,28)/t12-/m0/s1	C22H19N3O4	389.404	7	3	104.31	4	6	0	-1.4526	4.20537	3.11	3.699	34.4981	116.793	2.8352	335.192427384613
Cond-004160	NPD4228	NPD4228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.4024428513	CSC[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C26H29N5O7S/c1-39-14-19(25(36)37)29-22(33)18(11-12-21(27)32)28-23(34)20(13-15-7-3-2-4-8-15)31-24(35)16-9-5-6-10-17(16)30-26(31)38/h2-10,18-20H,11-14H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,38)(H,36,37)/t18-,19-,20-/m0/s1	C26H29N5O7S	555.603	12	6	216.79	3	15	2	-2.2998	1.11348	2.89	3.738	85.9598	148.6349	4.0036	502.769590463697
Cond-004161	NPD4229	NPD4229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2020322773	CCC(C)C(NC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O	InChI=1S/C21H27NO6/c1-7-10(2)17(20(24)25)22-19(23)14(6)27-16-9-8-15-11(3)12(4)21(26)28-18(15)13(16)5/h8-10,14,17H,7H2,1-6H3,(H,22,23)(H,24,25)	C21H27NO6	389.442	7	2	101.93	2	8	0	0.516599999999997	3.91729000000001	3	3.236	76.8462	109.6655	3.0013	381.442127948335
Cond-004162	NPD423	NPD423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.1907730981	COc1ccc(CNCCC2(CCOC(C)(C)C2)c2ccc(C)cc2)cc1OC	InChI=1S/C25H35NO3/c1-19-6-9-21(10-7-19)25(13-15-29-24(2,3)18-25)12-14-26-17-20-8-11-22(27-4)23(16-20)28-5/h6-11,16,26H,12-15,17-18H2,1-5H3	C25H35NO3	397.55	4	1	39.72	3	8	1	1.0554	4.89981000000001	3.77	6.83	69.2361	118.1997	3.3232	403.635386350119
Cond-004163	NPD4230	NPD4230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.9666159751	CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C28H34N4O6/c1-16(2)14-21(24(33)31-23(17(3)4)27(36)37)29-25(34)22(15-18-10-6-5-7-11-18)32-26(35)19-12-8-9-13-20(19)30-28(32)38/h5-13,16-17,21-23H,14-15H2,1-4H3,(H,29,34)(H,30,38)(H,31,33)(H,36,37)/t21-,22+,23+/m0/s1	C28H34N4O6	522.593	10	4	144.91	3	13	2	-1.2681	3.87588	3.44	5.881	84.8076	144.8404	4.00640000000001	501.702007449903
Cond-004164	NPD4232	NPD4232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.9901088032	CC(C)NC(=O)COc1c2c(cc(=O)oc2c2CCC(C)(C)Oc2c1)c1ccccc1	InChI=1S/C25H27NO5/c1-15(2)26-21(27)14-29-20-13-19-17(10-11-25(3,4)31-19)24-23(20)18(12-22(28)30-24)16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,26,27)	C25H27NO5	421.486	6	1	73.86	4	6	1	-0.106100000000001	5.09706000000001	3.55	5.964	68.8373	123.7027	3.203	400.950004948041
Cond-004165	NPD4233	NPD4233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5099704042	[C@@H]12Cc3ccccc3CN1C(=O)N(CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C2=O	InChI=1S/C19H21N3O7/c23-15(20-13(18(27)28)5-6-16(24)25)7-8-21-17(26)14-9-11-3-1-2-4-12(11)10-22(14)19(21)29/h1-4,13-14H,5-10H2,(H,20,23)(H,24,25)(H,27,28)/t13-,14+/m1/s1	C19H21N3O7	403.386	10	3	144.32	3	9	0	-2.3126	0.0941899999999994	2.45	0.527	69.7096	100.1263	2.8262	362.640988411896
Cond-004166	NPD4234	NPD4234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.20496405	[C@H]1(C)[C@H](OC(=O)CCC(=O)N2CC(O)CC2C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C24H35NO10/c1-12-4-5-16-13(2)21(32-22-24(16)15(12)8-9-23(3,33-22)34-35-24)31-19(28)7-6-18(27)25-11-14(26)10-17(25)20(29)30/h12-17,21-22,26H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14?,15+,16+,17?,21-,22-,23+,24?/m1/s1	C24H35NO10	497.535	11	2	141.06	4	7	1	-1.1313	1.79809	2.89	1.818	105.9987	119.1576	3.505	452.86744732898
Cond-004167	NPD4235	NPD4235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.108657901	Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C29H26ClNO6/c1-17-12-24(36-16-26(32)31-23(28(33)34)15-20-8-10-21(30)11-9-20)27-18(2)22(29(35)37-25(27)13-17)14-19-6-4-3-5-7-19/h3-13,23H,14-16H2,1-2H3,(H,31,32)(H,33,34)	C29H26ClNO6	519.973	7	2	101.93	4	10	1	1.1448	5.04609000000001	3.77	7.374	64.421	142.9165	3.7757	472.689403119302
Cond-004168	NPD4236	NPD4236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.369796903	Cc1cc(O)c2c(oc(=O)c(CC(=O)NCCc3ccccc3)c2C)c1	InChI=1S/C21H21NO4/c1-13-10-17(23)20-14(2)16(21(25)26-18(20)11-13)12-19(24)22-9-8-15-6-4-3-5-7-15/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,22,24)	C21H21NO4	351.396	5	2	75.63	3	6	0	0.4764	3.41369	3.22	4.777	48.8936	101.9905	2.6893	335.332298444813
Cond-004169	NPD4237	NPD4237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9677226539	CCC(C)C(NC(=O)COc1ccc2c(oc(=O)c(C)c2C)c1)C(=O)O	InChI=1S/C19H23NO6/c1-5-10(2)17(18(22)23)20-16(21)9-25-13-6-7-14-11(3)12(4)19(24)26-15(14)8-13/h6-8,10,17H,5,9H2,1-4H3,(H,20,21)(H,22,23)	C19H23NO6	361.389	7	2	101.93	2	8	0	-0.221400000000001	2.94527	2.78	2.598	66.6846	99.1035000000001	2.7195	346.850158696602
Cond-004170	NPD4238	NPD4238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0504398535	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC	InChI=1S/C26H25ClN4O6/c1-3-37-24(35)13-4-6-14(7-5-13)31-22(33)19-17(10-11-18(28)32)30-26(20(19)23(31)34)15-8-9-16(27)12(2)21(15)29-25(26)36/h4-9,17,19-20,30H,3,10-11H2,1-2H3,(H2,28,32)(H,29,36)/t17?,19-,20+,26?/m1/s1	C26H25ClN4O6	524.953	10	4	147.9	5	7	0	-1.6783	2.01731	3.11	1.246	78.3708	135.3758	3.6298	457.608188567002
Cond-004171	NPD424	NPD424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.17827298	CCCc1c(OC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C32H31NO6/c1-2-10-23-18-26-24-15-9-16-25(24)30(34)39-29(26)19-28(23)38-31(35)27(17-21-11-5-3-6-12-21)33-32(36)37-20-22-13-7-4-8-14-22/h3-8,11-14,18-19,27H,2,9-10,15-17,20H2,1H3,(H,33,36)	C32H31NO6	525.592	7	1	90.93	5	12	2	-0.6102	6.19877000000001	4.21	9.826	68.4731	152.3947	3.9674	497.009830525669
Cond-004172	NPD4240	NPD4240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9260478542	[C@@H]12C(NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccccc1)C2=O)C(C)O	InChI=1S/C24H24ClN3O4/c1-12-10-15-20(16(25)11-12)26-23(32)24(15)18-17(19(27-24)13(2)29)21(30)28(22(18)31)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,17-19,27,29H,8-9H2,1-2H3,(H,26,32)/t13?,17-,18-,19?,24?/m0/s1	C24H24ClN3O4	453.918	7	3	98.74	5	4	0	-1.2441	2.25951	3.22	3.413	68.2115	120.8242	3.2168	399.71192310758
Cond-004173	NPD4242	NPD4242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.797416956	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C)C(=O)NCCCOC(C)C	InChI=1S/C28H32N4O4/c1-16(2)36-14-8-13-29-26(33)17(3)30-27(34)23-15-21-18-9-6-7-12-22(18)31-24(21)25-19-10-4-5-11-20(19)28(35)32(23)25/h4-7,9-12,16-17,23,25,31H,8,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,23-,25?/m0/s1	C28H32N4O4	488.578	8	3	103.53	5	10	0	-2.9424	2.66239	3.66	4.078	75.5825	139.6204	3.71480000000001	451.145095347981
Cond-004174	NPD4243	NPD4243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.1767139333	[C@@H]12CCCN1[C@]1(C(=O)Nc3ccc(Cl)cc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cccc(OC)c1	InChI=1S/C29H24ClN3O4/c1-37-18-7-4-6-16(14-18)25(34)24-23-10-5-13-33(23)29(20-15-17(30)11-12-22(20)32-27(29)36)28(24)19-8-2-3-9-21(19)31-26(28)35/h2-4,6-9,11-12,14-15,23-24H,5,10,13H2,1H3,(H,31,35)(H,32,36)/t23-,24-,28+,29+/m0/s1	C29H24ClN3O4	513.972	7	2	87.74	7	3	0	-2.2419	5.51088	3.77	3.609	58.5368	142.2689	3.57510000000001	442.669552732914
Cond-004175	NPD4244	NPD4244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.0317741172	COc1ccc(cc1)C(=O)[C@H]1[C@@]2([C@@H]3CCCN3[C@]31C(=O)Nc1c3cccc1Cl)C(=O)Nc1c2cccc1	InChI=1S/C29H24ClN3O4/c1-37-17-13-11-16(12-14-17)24(34)25-28(18-6-2-3-9-21(18)31-26(28)35)22-10-5-15-33(22)29(25)19-7-4-8-20(30)23(19)32-27(29)36/h2-4,6-9,11-14,22,25H,5,10,15H2,1H3,(H,31,35)(H,32,36)/t22-,25-,28+,29+/m0/s1	C29H24ClN3O4	513.972	7	2	87.74	7	3	0	-2.2419	5.51088	3.77	3.609	58.5368	142.2689	3.57510000000001	442.669552732913
Cond-004176	NPD4245	NPD4245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7651117033	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)c1cc(Cl)ccc1	InChI=1S/C32H29ClN4O5/c1-17(2)14-24(31(40)41)35-29(38)21-11-4-6-13-25(21)37-30(39)26-16-22-20-10-3-5-12-23(20)34-27(22)28(36(26)32(37)42)18-8-7-9-19(33)15-18/h3-13,15,17,24,26,28,34H,14,16H2,1-2H3,(H,35,38)(H,40,41)/t24-,26-,28?/m0/s1	C32H29ClN4O5	585.049	9	3	122.81	6	8	1	-0.775600000000001	5.33268000000001	3.88	6.541	72.089	161.605	4.17890000000001	510.528034818442
Cond-004177	NPD4246	NPD4246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.707352869	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NC(C)c1ccccc1	InChI=1S/C27H23N3O2/c1-16(17-9-3-2-4-10-17)28-26(31)23-15-21-18-11-7-8-14-22(18)29-24(21)25-19-12-5-6-13-20(19)27(32)30(23)25/h2-14,16,23,25,29H,15H2,1H3,(H,28,31)/t16?,23-,25?/m0/s1	C27H23N3O2	421.49	5	2	65.2	6	4	1	-1.8342	3.76269	3.88	6.697	39.0657	125.5227	3.16210000000001	376.742521010425
Cond-004178	NPD4247	NPD4247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.3750278762	COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)c(=O)oc2c1C	InChI=1S/C26H26N2O6/c1-14-17-8-10-22(33-3)15(2)24(17)34-26(32)18(14)9-11-23(29)28-21(25(30)31)12-16-13-27-20-7-5-4-6-19(16)20/h4-8,10,13,21,27H,9,11-12H2,1-3H3,(H,28,29)(H,30,31)/t21-/m0/s1	C26H26N2O6	462.494	8	3	117.72	4	9	0	-0.0747999999999998	4.52008000000001	3.44	3.338	68.0537	133.7085	3.4164	421.860059081036
Cond-004179	NPD4248	NPD4248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.020513832	COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCC(=O)N	InChI=1S/C20H23N3O3/c1-25-19-10-14(6-7-18(19)26-13-20(21)24)11-22-9-8-15-12-23-17-5-3-2-4-16(15)17/h2-7,10,12,22-23H,8-9,11,13H2,1H3,(H2,21,24)	C20H23N3O3	353.415	6	4	89.37	3	9	0	-1.6045	2.69137	3	2.152	41.4146	107.4141	2.7323	322.976066235519
Cond-004180	NPD4249	NPD4249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2686523004	CCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(Cl)cc3)cc2oc1=O)C(=O)O	InChI=1S/C24H20ClNO6/c1-3-19(23(28)29)26-22(27)9-16-12(2)15-8-17-18(13-4-6-14(25)7-5-13)11-31-20(17)10-21(15)32-24(16)30/h4-8,10-11,19H,3,9H2,1-2H3,(H,26,27)(H,28,29)	C24H20ClNO6	453.872	7	2	105.84	4	7	0	-0.0159000000000011	5.41557	3.22	3.694	58.25	124.4895	3.1572	391.482397391568
Cond-004181	NPD425	NPD425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0527895922	CCCCCC(=O)OC1C[C@@]2(C)C(C[C@@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C34H47FO8/c1-7-10-11-12-30(40)42-27-19-32(6)25(24-14-13-22-18-23(36)15-16-31(22,5)33(24,27)35)17-21(4)34(32,43-29(39)9-3)26(37)20-41-28(38)8-2/h15-16,18,21,24-25,27H,7-14,17,19-20H2,1-6H3/t21-,24?,25?,27?,31+,32+,33+,34+/m1/s1	C34H47FO8	602.731	8	0	113.04	4	14	2	-0.442099999999998	6.03497000000001	4.21	5.395	152.5551	158.991	4.6511	605.128262726263
Cond-004182	NPD4250	NPD4250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7766623018	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c2cc(Cl)c(C)cc2)c1=O	InChI=1S/C23H21ClN4O3/c1-12-7-8-13(11-16(12)24)28-22(30)18(21(29)26-23(28)31)20-19-15(9-10-27(20)2)14-5-3-4-6-17(14)25-19/h3-8,11,20,25,29H,9-10H2,1-2H3,(H,26,31)	C23H21ClN4O3	436.891	7	3	92.16	5	2	0	1.2654	4.27577	3.11	3.835	60.9104	124.5776	3.074	371.086013288519
Cond-004183	NPD4251	NPD4251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3303694922	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C17H20N2O5S/c1-8(20)11(16(23)24)18-13(21)12-17(2,3)25-15-10-7-5-4-6-9(10)14(22)19(12)15/h4-8,11-12,15,20H,1-3H3,(H,18,21)(H,23,24)/t8?,11-,12+,15?/m0/s1	C17H20N2O5S	364.416	7	3	132.24	3	5	0	-0.966100000000001	0.87799	2.45	1.509	65.3481	94.5228	2.5767	323.253747010074
Cond-004184	NPD4252	NPD4252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7028032746	[C@@H]1(N2C(SC1(C)C)c1c(C2=O)c(OC)c(OC)cc1)C(=O)NCCCN1CCOCC1	InChI=1S/C22H31N3O5S/c1-22(2)18(19(26)23-8-5-9-24-10-12-30-13-11-24)25-20(27)16-14(21(25)31-22)6-7-15(28-3)17(16)29-4/h6-7,18,21H,5,8-13H2,1-4H3,(H,23,26)/t18-,21?/m1/s1	C22H31N3O5S	449.564	8	1	105.64	4	8	0	-0.5727	1.5727	2.89	0.774	93.2783	121.3097	3.3154	411.010430347575
Cond-004185	NPD4253	NPD4253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.732515337	CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3c2=O)cc1	InChI=1S/C28H24O10/c1-5-35-27(30)16-6-8-18(9-7-16)37-24-15-36-21-14-19(10-11-20(21)25(24)29)38-28(31)17-12-22(32-2)26(34-4)23(13-17)33-3/h6-15H,5H2,1-4H3	C28H24O10	520.484	10	0	115.82	4	11	2	-1.0569	6.00075	3.44	5.218	61.9935	142.501	3.6474	464.34649731708
Cond-004186	NPD4254	NPD4254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.766023647	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(CCc1ccccc1)C2	InChI=1S/C24H21NO3/c1-16-22-18(14-25(15-27-22)12-11-17-7-3-2-4-8-17)13-21-19-9-5-6-10-20(19)24(26)28-23(16)21/h2-10,13H,11-12,14-15H2,1H3	C24H21NO3	371.428	4	0	38.77	5	3	1	0.6943	5.04240000000001	3.66	7.312	34.421	114.065	2.7931	340.180649519452
Cond-004187	NPD4255	NPD4255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.4257425743	COc1ccc(cc1)c1cc(=O)oc2c3CN(Cc4cc(ccc4)C(F)(F)F)COc3ccc12	InChI=1S/C26H20F3NO4/c1-32-19-7-5-17(6-8-19)21-12-24(31)34-25-20(21)9-10-23-22(25)14-30(15-33-23)13-16-3-2-4-18(11-16)26(27,28)29/h2-12H,13-15H2,1H3	C26H20F3NO4	467.437	5	0	48	5	5	1	1.0085	5.50417	3.44	6.851	47.2409	122.615	3.1437	399.129063321865
Cond-004188	NPD4256	NPD4256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2288044698	COc1c(OC)cc(CCNC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1	InChI=1S/C26H27NO6/c1-14-13-32-24-16(3)25-19(11-18(14)24)15(2)20(26(29)33-25)12-23(28)27-9-8-17-6-7-21(30-4)22(10-17)31-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,27,28)	C26H27NO6	449.496	7	1	87	4	8	0	1.321	4.49951000000001	3.55	3.337	68.0818	126.8417	3.3596	413.499757573669
Cond-004189	NPD4257	NPD4257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.562594785	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C)C(=O)NCCCCCC	InChI=1S/C28H32N4O3/c1-3-4-5-10-15-29-26(33)17(2)30-27(34)23-16-21-18-11-8-9-14-22(18)31-24(21)25-19-12-6-7-13-20(19)28(35)32(23)25/h6-9,11-14,17,23,25,31H,3-5,10,15-16H2,1-2H3,(H,29,33)(H,30,34)/t17-,23-,25?/m0/s1	C28H32N4O3	472.579	7	3	94.3	5	10	1	-3.6648	3.42759000000001	3.77	5.515	68.6894	138.0574	3.6561	442.35486864742
Cond-004190	NPD4258	NPD4258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5878100431	Cc1c(C)c2ccc(OC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)cc2oc1=O	InChI=1S/C27H23NO6/c1-17-18(2)25(29)34-23-15-21(13-14-22(17)23)33-26(30)24(20-11-7-4-8-12-20)28-27(31)32-16-19-9-5-3-6-10-19/h3-15,24H,16H2,1-2H3,(H,28,31)	C27H23NO6	457.475	7	1	90.93	4	9	1	0.948899999999999	4.39028000000001	3.66	7.777	48.2938	128.3067	3.37150000000001	422.886366097136
Cond-004191	NPD4259	NPD4259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1607890018	CC(C)[C@H](NC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C22H27NO7/c1-11(2)19(21(26)27)23-16(24)10-28-15-9-14-13(6-7-22(4,5)30-14)20-18(15)12(3)8-17(25)29-20/h8-9,11,19H,6-7,10H2,1-5H3,(H,23,24)(H,26,27)/t19-/m0/s1	C22H27NO7	417.452	8	2	111.16	3	7	0	0.659699999999999	3.76946	3	2.476	83.954	114.9585	3.0923	395.171880573963
Cond-004192	NPD426	NPD426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2684878003	Cc1c(Oc2ccc(Cl)cc2)c(=O)c2c(o1)cc(OCC(=O)O)cc2	InChI=1S/C18H13ClO6/c1-10-18(25-12-4-2-11(19)3-5-12)17(22)14-7-6-13(8-15(14)24-10)23-9-16(20)21/h2-8H,9H2,1H3,(H,20,21)	C18H13ClO6	360.745	6	1	82.06	3	5	0	-0.4097	5.35145	2.67	3.949	42.3067	98.4673	2.4066	305.239105530601
Cond-004193	NPD4260	NPD4260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7161027354	CCn1c2c(cccc2)c2c1ccc(c2)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccc(OC)cc1	InChI=1S/C33H28N2O4/c1-4-35-29-8-6-5-7-25(29)27-16-23(11-14-30(27)35)34-18-22-15-28-26(21-9-12-24(37-3)13-10-21)17-31(36)39-33(28)20(2)32(22)38-19-34/h5-17H,4,18-19H2,1-3H3	C33H28N2O4	516.586	6	0	52.93	7	4	1	0.906700000000001	8.25847	4.43	7.428	54.4847	159.864	3.8305	458.572745856181
Cond-004194	NPD4261	NPD4261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.268201618	COc1c(OC)cc(CCN2COc3ccc4c5c(CCC5)c(=O)oc4c3C2)cc1	InChI=1S/C24H25NO5/c1-27-21-8-6-15(12-22(21)28-2)10-11-25-13-19-20(29-14-25)9-7-17-16-4-3-5-18(16)24(26)30-23(17)19/h6-9,12H,3-5,10-11,13-14H2,1-2H3	C24H25NO5	407.459	6	0	57.23	5	5	0	-0.137899999999998	4.72287	3.44	3.527	64.0713	117.816	2.9965	373.934020322174
Cond-004195	NPD4262	NPD4262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8200359632	Clc1c(CN2COc3ccc4c(oc(=O)c5c4cccc5)c3C2)cccc1	InChI=1S/C22H16ClNO3/c23-19-8-4-1-5-14(19)11-24-12-18-20(26-13-24)10-9-16-15-6-2-3-7-17(15)22(25)27-21(16)18/h1-10H,11-13H2	C22H16ClNO3	377.82	4	0	38.77	5	2	1	0.541	5.28578	3.33	6.094	30.0827	109.812	2.6337	320.799748038152
Cond-004196	NPD4263	NPD4263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9634631439	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(CN(CO3)c3c(C)c(C)ccc3)cc12	InChI=1S/C27H25NO4/c1-16-6-5-7-24(17(16)2)28-14-20-12-23-22(19-8-10-21(30-4)11-9-19)13-25(29)32-27(23)18(3)26(20)31-15-28/h5-13H,14-15H2,1-4H3	C27H25NO4	427.492	5	0	48	5	3	1	1.8248	5.83623	3.88	6.341	52.6004	127.693	3.2315	398.222371396813
Cond-004197	NPD4264	NPD4264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0513732464	COC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(ccc1)c1cc2c(oc1=O)cccc2	InChI=1S/C23H24N2O5/c1-14(2)11-19(22(27)29-3)25-23(28)24-17-9-6-8-15(12-17)18-13-16-7-4-5-10-20(16)30-21(18)26/h4-10,12-14,19H,11H2,1-3H3,(H2,24,25,28)/t19-/m0/s1	C23H24N2O5	408.447	7	2	93.73	3	9	1	0.235999999999998	4.29847	3.22	5.761	59.3636	117.2534	3.0866	387.074795904474
Cond-004198	NPD4265	NPD4265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8685617164	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)NCC(=O)O)c(C)c1c2)c1ccccc1	InChI=1S/C24H21NO6/c1-12-16-9-18-21(15-7-5-4-6-8-15)14(3)30-23(18)13(2)22(16)31-24(29)17(12)10-19(26)25-11-20(27)28/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)	C24H21NO6	419.427	7	2	105.84	4	6	0	0.5133	4.20312000000001	3.33	4.378	56.2979	121.0385	3.0348	376.271329621135
Cond-004199	NPD4266	NPD4266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0155841594	CC(C)C[NH+](CC(C)C)Cc1c2oc(=O)cc(c3cc4c(oc3=O)cccc4)c2ccc1[O-]	InChI=1S/C27H29NO5/c1-16(2)13-28(14-17(3)4)15-22-23(29)10-9-19-20(12-25(30)33-26(19)22)21-11-18-7-5-6-8-24(18)32-27(21)31/h5-12,16-17,29H,13-15H2,1-4H3	C27H29NO5	447.523	6	1	80.1	4	7	1	-0.801900000000002	4.11686000000001	3.77	5.238	73.3775	129.5637	3.4418	432.905515498975
Cond-004200	NPD4267	NPD4267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.668646052	CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O)C(=O)NCC(=O)O	InChI=1S/C26H27N5O6/c1-14(2)22(24(35)28-13-21(32)33)30-23(34)20(11-15-12-27-18-9-5-3-7-16(15)18)31-25(36)17-8-4-6-10-19(17)29-26(31)37/h3-10,12,14,20,22,27H,11,13H2,1-2H3,(H,28,35)(H,29,37)(H,30,34)(H,32,33)/t20-,22-/m0/s1	C26H27N5O6	505.522	11	5	164.19	4	11	2	-2.0085	2.17697	3.11	3.106	71.6621	141.0715	3.67280000000001	452.213881004736
Cond-004201	NPD4268	NPD4268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.1134149077	[C@@H]12C(NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(Cc1c(OC)cccc1)C2=O)C(C)O	InChI=1S/C24H25N3O5/c1-12-7-6-9-15-19(12)25-23(31)24(15)18-17(20(26-24)13(2)28)21(29)27(22(18)30)11-14-8-4-5-10-16(14)32-3/h4-10,13,17-18,20,26,28H,11H2,1-3H3,(H,25,31)/t13?,17-,18-,20?,24?/m0/s1	C24H25N3O5	435.472	8	3	107.97	5	4	0	-2.2958	1.78821	3.22	1.671	65.4599	119.0702	3.1531	393.291082037708
Cond-004202	NPD427	NPD427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.0099009901	OCC[NH2+]CCO.Cc1c(c(=O)c2c(o1)cc(OCC(=O)[O-])cc2)c1cc2c(OCCO2)cc1	InChI=1S/C20H16O7.C4H11NO2/c1-11-19(12-2-5-15-17(8-12)25-7-6-24-15)20(23)14-4-3-13(9-16(14)27-11)26-10-18(21)22;6-3-1-5-2-4-7/h2-5,8-9H,6-7,10H2,1H3,(H,21,22);5-7H,1-4H2	C24H27NO9	473.472	7	0	94.12	4	4	0	-1.7115	3.14635	2.89	1.996	44.909	100.2925	2.4946	319.735545661263
Cond-004203	NPD4270	NPD4270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.918652484	CCCCc1cc(=O)oc2cc(C)cc(OC(=O)C(CC)NS(=O)(=O)c3ccc(C)cc3)c12	InChI=1S/C25H29NO6S/c1-5-7-8-18-15-23(27)31-21-13-17(4)14-22(24(18)21)32-25(28)20(6-2)26-33(29,30)19-11-9-16(3)10-12-19/h9-15,20,26H,5-8H2,1-4H3	C25H29NO6S	471.566	7	1	107.15	3	10	1	-0.525300000000002	4.96360000000001	3.33	6.409	72.473	123.2747	3.5338	440.605714407002
Cond-004204	NPD4271	NPD4271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.4646967494	COc1ccc(CNCCC(CCC(C)C)c2cc3c(OCO3)cc2)cc1	InChI=1S/C23H31NO3/c1-17(2)4-7-19(20-8-11-22-23(14-20)27-16-26-22)12-13-24-15-18-5-9-21(25-3)10-6-18/h5-6,8-11,14,17,19,24H,4,7,12-13,15-16H2,1-3H3	C23H31NO3	369.497	4	1	39.72	3	10	1	-0.261699999999999	5.78568000000001	3.55	6.408	56.3981	112.0617	3.0414	369.043417098386
Cond-004205	NPD4272	NPD4272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0644373932	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)N3CCC(CC3)C(=O)N)c(C)c1c2)c1ccccc1	InChI=1S/C28H28N2O5/c1-16-20(8-9-25(31)30-12-10-19(11-13-30)27(29)32)28(33)35-23-15-24-22(14-21(16)23)26(17(2)34-24)18-6-4-3-5-7-18/h3-7,14-15,19H,8-13H2,1-2H3,(H2,29,32)	C28H28N2O5	472.532	7	2	102.84	5	6	0	-0.956999999999999	4.90559000000001	3.77	4.383	70.1906	138.8064	3.5309	435.305342931408
Cond-004206	NPD4273	NPD4273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.151330242	O=C(COc1ccc2ccc(=O)oc2c1)NCCc1c[nH]c2ccccc12	InChI=1S/C21H18N2O4/c24-20(22-10-9-15-12-23-18-4-2-1-3-17(15)18)13-26-16-7-5-14-6-8-21(25)27-19(14)11-16/h1-8,11-12,23H,9-10,13H2,(H,22,24)	C21H18N2O4	362.379	6	2	80.42	4	7	0	-0.8739	3.31306	3.11	3.51	42.6218	107.3337	2.6375	320.43614125138
Cond-004207	NPD4274	NPD4274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.895259527	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)NCCC1=CCCCC1	InChI=1S/C32H36N4O3/c1-19(2)27(31(38)33-17-16-20-10-4-3-5-11-20)35-30(37)26-18-24-21-12-8-9-15-25(21)34-28(24)29-22-13-6-7-14-23(22)32(39)36(26)29/h6-10,12-15,19,26-27,29,34H,3-5,11,16-18H2,1-2H3,(H,33,38)(H,35,37)/t26-,27-,29?/m0/s1	C32H36N4O3	524.653	7	3	94.3	6	9	1	-1.7727	4.30008000000001	4.21	5.84	88.2041	153.9774	4.0681	496.545889749287
Cond-004208	NPD4275	NPD4275	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8283304391	CC(Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C29H27NO6/c1-17-22-14-15-24(18(2)26(22)36-29(34)23(17)16-20-10-6-4-7-11-20)35-19(3)27(31)30-25(28(32)33)21-12-8-5-9-13-21/h4-15,19,25H,16H2,1-3H3,(H,30,31)(H,32,33)/t19?,25-/m0/s1	C29H27NO6	485.528	7	2	101.93	4	9	1	0.4341	5.12559000000001	3.88	7.868	58.5995	139.2995	3.65330000000001	457.478335348869
Cond-004209	NPD4276	NPD4276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1089108911	COc1c(OC)c(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](Cc4ccccc4)C(=O)O)c3)C2=O)cc1	InChI=1S/C29H27NO9/c1-35-22-12-9-18(27(36-2)28(22)37-3)14-24-26(32)20-11-10-19(15-23(20)39-24)38-16-25(31)30-21(29(33)34)13-17-7-5-4-6-8-17/h4-12,14-15,21H,13,16H2,1-3H3,(H,30,31)(H,33,34)/b24-14-/t21-/m1/s1	C29H27NO9	533.526	10	2	129.62	4	12	2	-1.8775	4.57226	3.55	5.358	67.5889	146.986	3.82940000000001	483.849015450552
Cond-004210	NPD4277	NPD4277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5454320192	Cc1c2oc(=O)c(CCC(=O)NCCCC(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C24H27NO6/c1-13-15(9-10-20(26)25-11-5-8-21(27)28)24(29)31-22-14(2)23-18(12-17(13)22)16-6-3-4-7-19(16)30-23/h12H,3-11H2,1-2H3,(H,25,26)(H,27,28)	C24H27NO6	425.474	7	2	105.84	4	8	0	-0.1616	4.45409000000001	3.33	2.743	78.1822	121.3055	3.1638	395.080705723536
Cond-004211	NPD4278	NPD4278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3794575712	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCC)c1ccc(cc1)C(C)C	InChI=1S/C32H32N4O3/c1-4-17-33-30(37)23-10-6-8-12-26(23)36-31(38)27-18-24-22-9-5-7-11-25(22)34-28(24)29(35(27)32(36)39)21-15-13-20(14-16-21)19(2)3/h5-16,19,27,29,34H,4,17-18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1	C32H32N4O3	520.621	7	2	85.51	6	7	1	-1.6037	5.44788000000001	4.21	7.916	65.002	154.7417	3.9821	480.372972347686
Cond-004212	NPD4279	NPD4279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0362496326	CCOc1ccc(cc1)N1COc2c(C1)cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C23H23NO4/c1-3-26-17-9-7-16(8-10-17)24-12-15-11-20-18-5-4-6-19(18)23(25)28-22(20)14(2)21(15)27-13-24/h7-11H,3-6,12-13H2,1-2H3	C23H23NO4	377.433	5	0	48	5	3	0	0.5391	5.62138	3.44	4.205	57.3874	112.014	2.7969	347.847808995747
Cond-004213	NPD428	NPD428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.9351701029	COc1cc2c(cc1OC)[C@H](C)N(CN1C(=O)C(=O)c3c1ccc(Br)c3)CC2	InChI=1S/C21H21BrN2O4/c1-12-15-10-19(28-3)18(27-2)8-13(15)6-7-23(12)11-24-17-5-4-14(22)9-16(17)20(25)21(24)26/h4-5,8-10,12H,6-7,11H2,1-3H3/t12-/m0/s1	C21H21BrN2O4	445.306	6	0	59.08	4	4	0	0.173399999999999	3.72678	3	3.263	61.6107	111.864	2.8985	355.892677630546
Cond-004214	NPD4280	NPD4280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8656554713	CCc1cc(=O)oc2cc(OC(C)C(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c(Cl)cc12	InChI=1S/C22H26ClNO6/c1-3-14-8-20(25)30-18-10-19(17(23)9-16(14)18)29-12(2)21(26)24-11-13-4-6-15(7-5-13)22(27)28/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,24,26)(H,27,28)/t12?,13-,15-	C22H26ClNO6	435.898	7	2	101.93	3	8	0	0.574299999999999	4.37887	3	3.235	85.7264	115.7805	3.156	401.592721643835
Cond-004215	NPD4281	NPD4281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0560633608	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCN1CCOCC1)c1ccc(C)cc1	InChI=1S/C33H33N5O4/c1-21-6-8-22(9-7-21)30-29-26(25-4-2-3-5-27(25)35-29)20-28-32(40)37(33(41)38(28)30)24-12-10-23(11-13-24)31(39)34-14-15-36-16-18-42-19-17-36/h2-13,28,30,35H,14-20H2,1H3,(H,34,39)/t28-,30?/m0/s1	C33H33N5O4	563.646	9	2	97.98	7	7	1	-1.3808	3.2747	4.1	5.3	75.5041	161.2607	4.1729	505.099485181481
Cond-004216	NPD4282	NPD4282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3152879607	COC(=O)c1ccc(COc2ccc3cc(c(=O)oc3c2)c2c(OC)cc(OC)cc2)cc1	InChI=1S/C26H22O7/c1-29-19-10-11-21(24(13-19)30-2)22-12-18-8-9-20(14-23(18)33-26(22)28)32-15-16-4-6-17(7-5-16)25(27)31-3/h4-14H,15H2,1-3H3	C26H22O7	446.449	7	0	80.29	4	8	1	-0.0538	4.63257	3.55	5.29	48.3415	124.3015	3.2325	406.020306664463
Cond-004217	NPD4283	NPD4283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9972411755	Clc1cc(Cl)c(CN2COc3ccc4c(oc(=O)c5c4cccc5)c3C2)cc1	InChI=1S/C22H15Cl2NO3/c23-14-6-5-13(19(24)9-14)10-25-11-18-20(27-12-25)8-7-16-15-3-1-2-4-17(15)22(26)28-21(16)18/h1-9H,10-12H2	C22H15Cl2NO3	412.265	4	0	38.77	5	2	1	1.2853	5.93918	3.22	5.979	35.6983	114.822	2.7561	336.010815808585
Cond-004218	NPD4284	NPD4284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1131965663	CCCC(=O)c1ccc(Oc2nc(=O)n3CCc4cc(OC)c(OC)cc4c3c2)cc1	InChI=1S/C24H24N2O5/c1-4-5-20(27)15-6-8-17(9-7-15)31-23-14-19-18-13-22(30-3)21(29-2)12-16(18)10-11-26(19)24(28)25-23/h6-9,12-14H,4-5,10-11H2,1-3H3	C24H24N2O5	420.458	7	0	77.43	4	7	0	-1.0833	4.31046000000001	3.33	3.877	66.8637	121.7405	3.1189	392.014321829541
Cond-004219	NPD4285	NPD4285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6237623762	COc1cc(OC)c(/C=C\2/Oc3c(ccc(OCC(=O)N[C@H](CCSC)C(=O)O)c3)C2=O)cc1	InChI=1S/C24H25NO8S/c1-30-15-5-4-14(19(11-15)31-2)10-21-23(27)17-7-6-16(12-20(17)33-21)32-13-22(26)25-18(24(28)29)8-9-34-3/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,25,26)(H,28,29)/b21-10+/t18-/m1/s1	C24H25NO8S	487.522	9	2	145.69	3	12	1	-1.4716	4.07406	3	3.508	76.5217	133.287	3.4673	438.253724481458
Cond-004220	NPD4286	NPD4286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.9526248399	COc1cc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)ccc1OC(C)C	InChI=1S/C26H32N2O3/c1-17(2)31-22-10-8-19(16-23(22)30-6)11-13-26-25(4,5)20-15-18(3)7-9-21(20)28(26)14-12-24(29)27-26/h7-11,13,15-17H,12,14H2,1-6H3,(H,27,29)/b13-11+	C26H32N2O3	420.544	5	1	50.8	4	5	1	1.3151	5.11589000000001	3.77	5.541	75.4771	126.3417	3.3693	414.298755081753
Cond-004221	NPD4287	NPD4287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.34716021	C[C@H](NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1C)C(=O)O	InChI=1S/C19H17NO6/c1-10-15(25-9-16(21)20-11(2)18(22)23)8-7-13-12-5-3-4-6-14(12)19(24)26-17(10)13/h3-8,11H,9H2,1-2H3,(H,20,21)(H,22,23)/t11-/m0/s1	C19H17NO6	355.341	7	2	101.93	3	6	0	-0.785400000000001	2.9554	2.78	3.235	41.8572	99.5055	2.5249	318.320782594201
Cond-004222	NPD4288	NPD4288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.6998399534	CCCC[NH+](C)Cc1c2O/C(=C\c3c(OC)cc(OC)cc3)/C(=O)c2ccc1[O-]	InChI=1S/C23H27NO5/c1-5-6-11-24(2)14-18-19(25)10-9-17-22(26)21(29-23(17)18)12-15-7-8-16(27-3)13-20(15)28-4/h7-10,12-13,25H,5-6,11,14H2,1-4H3/b21-12-	C23H27NO5	397.464	6	1	72.26	3	8	0	-3.1377	2.21008	3.33	3.671	58.086	112.2657	3.0728	381.350953097908
Cond-004223	NPD4289	NPD4289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1619902362	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(Cl)cc4)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C24H23ClN4O4/c25-14-6-7-16-15(12-14)24(23(33)27-16)20-19(17(28-24)8-9-18(26)30)21(31)29(22(20)32)11-10-13-4-2-1-3-5-13/h1-7,12,17,19-20,28H,8-11H2,(H2,26,30)(H,27,33)/t17?,19-,20+,24?/m1/s1	C24H23ClN4O4	466.917	8	4	121.6	5	6	0	-2.3147	2.11619	3.11	2.509	65.7505	123.9318	3.2736	408.072224614947
Cond-004224	NPD429	NPD429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7576601671	CCc1cc(c2n[nH]c(C)c2c2cc3c(OCCO3)cc2)c(O)cc1OCC(=O)O	InChI=1S/C22H22N2O6/c1-3-13-8-15(16(25)10-18(13)30-11-20(26)27)22-21(12(2)23-24-22)14-4-5-17-19(9-14)29-7-6-28-17/h4-5,8-10,25H,3,6-7,11H2,1-2H3,(H,23,24)(H,26,27)	C22H22N2O6	410.42	8	3	113.9	4	6	0	-1.015	4.95518	3	2.989	48.0106	121.5548	2.9388	357.949037979169
Cond-004225	NPD4290	NPD4290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9942363112	Cc1cc(C)cc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)c1	InChI=1S/C21H20N2O4/c1-12-9-13(2)11-14(10-12)22-19(25)17-7-8-18(24)23(17)20-15-5-3-4-6-16(15)21(26)27-20/h3-6,9-11,17,20H,7-8H2,1-2H3,(H,22,25)/t17-,20?/m0/s1	C21H20N2O4	364.395	6	1	75.71	4	4	0	-0.354800000000001	2.82343	3.11	4.513	46.14	99.5707	2.6805	333.97259995218
Cond-004226	NPD4291	NPD4291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.4697323335	COc1c2c(CCCCCC(=O)CCC[C@H](C)OC2=O)cc(OCC(=O)Nc2ccccc2Cl)c1	InChI=1S/C27H32ClNO6/c1-18-9-8-12-20(30)11-5-3-4-10-19-15-21(16-24(33-2)26(19)27(32)35-18)34-17-25(31)29-23-14-7-6-13-22(23)28/h6-7,13-16,18H,3-5,8-12,17H2,1-2H3,(H,29,31)/t18-/m0/s1	C27H32ClNO6	501.999	7	1	90.93	3	6	1	-1.9602	6.33578000000001	3.55	5.975	76.0101	137.7427	3.7745	471.899727371569
Cond-004227	NPD4292	NPD4292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.3089939442	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)c(Cl)ccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(Br)cc1	InChI=1S/C29H23BrClN3O3/c1-15-20(31)13-12-19-24(15)33-27(37)29(19)28(18-5-2-3-6-21(18)32-26(28)36)23(22-7-4-14-34(22)29)25(35)16-8-10-17(30)11-9-16/h2-3,5-6,8-13,22-23H,4,7,14H2,1H3,(H,32,36)(H,33,37)/t22-,23-,28+,29+/m0/s1	C29H23BrClN3O3	576.868	6	2	78.51	7	2	0	-0.6593	6.2928	3.77	4.599	65.3222	147.0569	3.69140000000001	453.162945009919
Cond-004228	NPD4294	NPD4294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8555040273	COc1c(OC)cc(CCNC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C26H27NO6/c1-15-14-32-22-13-23-20(12-19(15)22)16(2)18(26(29)33-23)6-8-25(28)27-10-9-17-5-7-21(30-3)24(11-17)31-4/h5,7,11-14H,6,8-10H2,1-4H3,(H,27,28)	C26H27NO6	449.496	7	1	87	4	9	0	0.741400000000002	4.86159	3.55	3.394	67.4451	127.8187	3.3596	413.499757573669
Cond-004229	NPD4295	NPD4295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.7679708601	Cc1c2oc(=O)c(CC(=O)NCCCC(=O)O)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C23H25NO6/c1-12-15-10-17-14-6-3-4-7-18(14)29-22(17)13(2)21(15)30-23(28)16(12)11-19(25)24-9-5-8-20(26)27/h10H,3-9,11H2,1-2H3,(H,24,25)(H,26,27)	C23H25NO6	411.448	7	2	105.84	4	7	0	-0.224	4.06399000000001	3.22	2.574	73.3168	116.6885	3.0229	377.784721097669
Cond-004230	NPD4296	NPD4296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4580216742	CC(C)NC(=O)CCc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O	InChI=1S/C22H25NO4/c1-12(2)23-21(24)9-8-14-13(3)16-10-17-15-6-4-5-7-18(15)26-20(17)11-19(16)27-22(14)25/h10-12H,4-9H2,1-3H3,(H,23,24)	C22H25NO4	367.438	5	1	68.54	4	5	0	-0.27	4.78696000000001	3.33	3.616	68.4831	110.0027	2.8076	345.54474177148
Cond-004231	NPD4297	NPD4297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.3912620415	[C@H]1(C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	InChI=1S/C29H46N2O11/c1-14(2)13-20(24(35)31-23(17(5)32)25(36)37)30-21(33)9-10-22(34)38-26-16(4)19-8-7-15(3)18-11-12-28(6)40-27(39-26)29(18,19)42-41-28/h14-20,23,26-27,32H,7-13H2,1-6H3,(H,30,33)(H,31,35)(H,36,37)/t15-,16-,17?,18+,19+,20+,23+,26-,27-,28+,29-/m1/s1	C29H46N2O11	598.682	13	4	178.95	3	14	2	-0.766999999999997	2.23279	3.22	3.084	133.7575	148.03	4.4336	568.854357367041
Cond-004232	NPD4298	NPD4298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8054445924	CCN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(c1=O)c1ccc(C)cc1C	InChI=1S/C25H26N4O3/c1-4-28-12-11-17-16-7-5-6-8-18(16)26-21(17)22(28)20-23(30)27-25(32)29(24(20)31)19-10-9-14(2)13-15(19)3/h5-10,13,22,26,30H,4,11-12H2,1-3H3,(H,27,32)	C25H26N4O3	430.499	7	3	92.16	5	3	0	1.4135	4.09520000000001	3.44	4.696	65.0907	128.0906	3.2334	390.466914769819
Cond-004233	NPD4299	NPD4299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9308196476	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cc(C)cc4)[C@@H]1C(=O)N(C1CCCCC1)C2=O	InChI=1S/C23H27N3O5/c1-12-7-8-15-14(11-12)23(22(31)24-15)19-18(16(25-23)9-10-17(27)28)20(29)26(21(19)30)13-5-3-2-4-6-13/h7-8,11,13,16,18-19,25H,2-6,9-10H2,1H3,(H,24,31)(H,27,28)/t16?,18-,19+,23?/m1/s1	C23H27N3O5	425.478	8	3	115.81	5	4	0	-3.7796	2.18011	3.11	1.815	74.2067	112.8632	3.0982	392.168014813441
Cond-004234	NPD43	NPD43	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.681761321	CN1CCC2C(C1)c1c(ccc(C)c1)N2S(=O)(=O)c1ccccc1N(=O)=O	InChI=1S/C19H21N3O4S/c1-13-7-8-16-14(11-13)15-12-20(2)10-9-17(15)21(16)27(25,26)19-6-4-3-5-18(19)22(23)24/h3-8,11,15,17H,9-10,12H2,1-2H3	C19H21N3O4S	387.453	7	0	92.14	4	3	0	-0.140200000000001	4.6482	2.67	4.011	47.6651	104.937	2.748	334.159332367813
Cond-004235	NPD430	NPD430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6314196538	COc1ccc2C3N(C(=O)c2c1OC)c1c(cccc1)C(=O)N3c1c(C)cccc1	InChI=1S/C24H20N2O4/c1-14-8-4-6-10-17(14)25-22-16-12-13-19(29-2)21(30-3)20(16)24(28)26(22)18-11-7-5-9-15(18)23(25)27/h4-13,22H,1-3H3	C24H20N2O4	400.427	6	0	59.08	5	3	0	-0.599	4.26031	3.44	4.887	38.1942	115.3635	2.9086	357.33117772738
Cond-004236	NPD4300	NPD4300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1679025684	Cc1ccccc1N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1	InChI=1S/C26H23NO3/c1-17-8-6-7-11-23(17)27-15-22-24(29-16-27)13-12-20-18(2)21(26(28)30-25(20)22)14-19-9-4-3-5-10-19/h3-13H,14-16H2,1-2H3	C26H23NO3	397.466	4	0	38.77	5	3	1	1.6019	6.35609000000001	3.88	7.789	43.2385	123.08	3.0319	372.136160070385
Cond-004237	NPD4301	NPD4301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.1568009455	[C@@H]12CCC3=C/C(=N/OCC(=O)NCc4ccccn4)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C28H39N3O3/c1-26-12-9-20(31-34-18-25(32)30-17-21-6-4-5-15-29-21)16-19(26)7-8-22-23(26)10-13-27(2)24(22)11-14-28(27,3)33/h4-6,15-16,22-24,33H,7-14,17-18H2,1-3H3,(H,30,32)/b31-20+/t22-,23?,24?,26+,27+,28+/m1/s1	C28H39N3O3	465.628	6	2	83.81	5	6	1	0.189199999999998	5.21437000000001	3.88	5.326	107.7078	137.4795	3.7283	463.703943242453
Cond-004238	NPD4302	NPD4302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.0357231456	CC(CCc1ccccc1)NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O	InChI=1S/C23H25NO4/c1-15(8-9-17-6-4-3-5-7-17)24-22(26)13-12-20-16(2)19-11-10-18(25)14-21(19)28-23(20)27/h3-7,10-11,14-15,25H,8-9,12-13H2,1-2H3,(H,24,26)	C23H25NO4	379.449	5	2	75.63	3	8	1	-0.5951	4.55437000000001	3.44	5.652	56.1665	112.1795	2.9711	369.924267696547
Cond-004239	NPD4303	NPD4303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.23666974	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(OC)cc1)c1cc(OC)ccc1	InChI=1S/C35H30N4O5/c1-43-23-16-14-21(15-17-23)20-36-33(40)26-11-4-6-13-29(26)39-34(41)30-19-27-25-10-3-5-12-28(25)37-31(27)32(38(30)35(39)42)22-8-7-9-24(18-22)44-2/h3-18,30,32,37H,19-20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O5	586.637	9	2	103.97	7	8	1	-2.0435	4.79238000000001	4.32	6.489	56.5555	167.9887	4.28460000000001	518.675544823208
Cond-004240	NPD4304	NPD4304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.261519675	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)Nc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(OC)c1	InChI=1S/C24H29ClN2O4/c1-31-21-14-16(5-10-20(21)28)23-19-4-2-3-11-24(19,30)12-13-27(23)15-22(29)26-18-8-6-17(25)7-9-18/h5-10,14,19,23,28,30H,2-4,11-13,15H2,1H3,(H,26,29)/t19-,23-,24-/m0/s1	C24H29ClN2O4	444.951	6	3	82.03	4	6	0	-2.0341	4.85388000000001	3.33	3.703	63.8164	123.2873	3.3116	406.344539001813
Cond-004241	NPD4306	NPD4306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7925311203	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)O)C(=O)O	InChI=1S/C29H32N4O6/c1-14(2)12-21(26(35)32-23(15(3)34)29(38)39)31-27(36)22-13-19-16-8-6-7-11-20(16)30-24(19)25-17-9-4-5-10-18(17)28(37)33(22)25/h4-11,14-15,21-23,25,30,34H,12-13H2,1-3H3,(H,31,36)(H,32,35)(H,38,39)/t15?,21-,22-,23+,25?/m0/s1	C29H32N4O6	532.588	10	5	151.83	5	10	0	-2.6548	1.91828	3.55	3.698	81.6563	145.8895	3.93010000000001	483.385074674169
Cond-004242	NPD4307	NPD4307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.5557937823	CCc1ccc(cc1)C1CN2C(=O)N(C(=O)[C@]2(C)c2c1c1ccccc1[nH]2)c1cccc(c1)C(=O)C	InChI=1S/C30H27N3O3/c1-4-19-12-14-20(15-13-19)24-17-32-29(36)33(22-9-7-8-21(16-22)18(2)34)28(35)30(32,3)27-26(24)23-10-5-6-11-25(23)31-27/h5-16,24,31H,4,17H2,1-3H3/t24?,30-/m0/s1	C30H27N3O3	477.554	6	1	73.48	6	4	1	-0.986699999999999	5.35099000000001	4.1	7.26	55.6256	142.404	3.6005	434.784242887786
Cond-004243	NPD4308	NPD4308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5477613403	Cc1c(C)c2cc3c(OCN(C3)c3ccc(OCc4ccccc4)cc3)c(C)c2oc1=O	InChI=1S/C27H25NO4/c1-17-18(2)27(29)32-26-19(3)25-21(13-24(17)26)14-28(16-31-25)22-9-11-23(12-10-22)30-15-20-7-5-4-6-8-20/h4-13H,14-16H2,1-3H3	C27H25NO4	427.492	5	0	48	5	4	1	1.6452	6.31808000000001	3.88	6.671	50.4709	128.36	3.2315	398.222371396813
Cond-004244	NPD4309	NPD4309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7013572431	Cc1c(C)c2cc3c(OCN(Cc4cc(Cl)c(Cl)cc4)C3)c(C)c2oc1=O	InChI=1S/C21H19Cl2NO3/c1-11-12(2)21(25)27-20-13(3)19-15(7-16(11)20)9-24(10-26-19)8-14-4-5-17(22)18(23)6-14/h4-7H,8-10H2,1-3H3	C21H19Cl2NO3	404.286	4	0	38.77	4	2	0	3.2879	5.51439	3.11	4.342	60.083	110.246	2.8098	347.244207285118
Cond-004245	NPD4310	NPD4310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.40743974	COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2C(=O)/C(=C/c3cc4c(OCO4)cc3)/Oc2c1C	InChI=1S/C27H22O9/c1-14-18(36-27(29)16-11-22(30-2)26(32-4)23(12-16)31-3)8-6-17-24(28)21(35-25(14)17)10-15-5-7-19-20(9-15)34-13-33-19/h5-12H,13H2,1-4H3/b21-10-	C27H22O9	490.458	9	0	98.75	5	7	0	-0.304099999999998	5.64728	3.44	4.498	57.8247	135.0475	3.3822	428.540285990652
Cond-004246	NPD4311	NPD4311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.021723212	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)O)c3ccccc3)c(C)c1c2	InChI=1S/C26H24N2O7/c1-13-15(3)34-20-11-21-18(9-17(13)20)14(2)19(26(33)35-21)10-22(29)27-12-23(30)28-24(25(31)32)16-7-5-4-6-8-16/h4-9,11,24H,10,12H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)/t24-/m1/s1	C26H24N2O7	476.478	9	3	134.94	4	9	0	-0.2786	2.82141	3.33	3.542	67.0622	130.2042	3.4321	428.013827080797
Cond-004247	NPD4312	NPD4312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.7007741999	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cc(C)cc4Cl)[C@@H]1C(=O)N(CCc1ccccc1)C2=O	InChI=1S/C25H25ClN4O4/c1-13-11-15-21(16(26)12-13)28-24(34)25(15)20-19(17(29-25)7-8-18(27)31)22(32)30(23(20)33)10-9-14-5-3-2-4-6-14/h2-6,11-12,17,19-20,29H,7-10H2,1H3,(H2,27,31)(H,28,34)/t17?,19-,20+,25?/m1/s1	C25H25ClN4O4	480.943	8	4	121.6	5	6	0	-1.6727	2.14421	3.22	2.832	71.2526	127.5718	3.4145	425.368209240814
Cond-004248	NPD4313	NPD4313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3064429333	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](C(C)CC)C(=O)NC(C)CC	InChI=1S/C29H34N4O3/c1-5-16(3)24(28(35)30-17(4)6-2)32-27(34)23-15-21-18-11-9-10-14-22(18)31-25(21)26-19-12-7-8-13-20(19)29(36)33(23)26/h7-14,16-17,23-24,26,31H,5-6,15H2,1-4H3,(H,30,35)(H,32,34)/t16?,17?,23-,24-,26?/m0/s1	C29H34N4O3	486.605	7	3	94.3	5	9	1	-2.9661	3.67199000000001	3.88	5.492	75.9859	142.5824	3.797	459.650853273286
Cond-004249	NPD4314	NPD4314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.914813948	CCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1cc(OC)c(OC(C)C)cc1	InChI=1S/C29H35N3O4/c1-6-7-14-31-17-25(33)32-16-21(19-12-13-23(36-18(2)3)24(15-19)35-5)26-20-10-8-9-11-22(20)30-27(26)29(32,4)28(31)34/h8-13,15,18,21,30H,6-7,14,16-17H2,1-5H3/t21?,29-/m0/s1	C29H35N3O4	489.606	7	1	74.87	5	7	0	-2.4267	4.64939000000001	3.88	4.486	79.6299	142.73	3.7989	460.080778466481
Cond-004250	NPD4315	NPD4315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9836915512	Cc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc1c2c(oc(=O)c3c2CCCC3)cc(C)c1	InChI=1S/C32H30N2O6S/c1-19-11-13-22(14-12-19)41(37,38)34-27(17-21-18-33-26-10-6-5-7-23(21)26)32(36)40-29-16-20(2)15-28-30(29)24-8-3-4-9-25(24)31(35)39-28/h5-7,10-16,18,27,33-34H,3-4,8-9,17H2,1-2H3	C32H30N2O6S	570.655	8	2	122.94	6	8	1	-0.724400000000001	5.95489000000001	3.99	7.082	69.6498	154.3457	4.1221	503.259156090636
Cond-004251	NPD4316	NPD4316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3752333541	Cc1c(C)c2cc3c(OCN(CCc4cc(F)ccc4)C3)c(C)c2oc1=O	InChI=1S/C22H22FNO3/c1-13-14(2)22(25)27-21-15(3)20-17(10-19(13)21)11-24(12-26-20)8-7-16-5-4-6-18(23)9-16/h4-6,9-10H,7-8,11-12H2,1-3H3	C22H22FNO3	367.413	4	0	38.77	4	3	0	2.5346	4.72869000000001	3.33	4.678	54.1761	105.807	2.7236	340.185615220425
Cond-004252	NPD4317	NPD4317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5837565955	COc1cc(OC)c(cc1OC)/C=C/1\Oc2c(C[NH+]3CCOCC3)c([O-])ccc2C1=O	InChI=1S/C23H25NO7/c1-27-18-12-20(29-3)19(28-2)10-14(18)11-21-22(26)15-4-5-17(25)16(23(15)31-21)13-24-6-8-30-9-7-24/h4-5,10-12,25H,6-9,13H2,1-3H3/b21-11-	C23H25NO7	427.447	8	1	90.72	4	6	0	-2.8864	0.818980000000004	3.11	1.477	63.7389	113.6717	3.0816	386.57494779823
Cond-004253	NPD4318	NPD4318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3786996722	CCC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C21H30N4O5/c1-5-13(4)18(19(27)23-15(20(28)29)10-12(2)3)24-21(30)25-11-17(26)22-14-8-6-7-9-16(14)25/h6-9,12-13,15,18H,5,10-11H2,1-4H3,(H,22,26)(H,23,27)(H,24,30)(H,28,29)/t13?,15-,18-/m0/s1	C21H30N4O5	418.487	9	4	131.33	2	11	1	-1.3747	3.49307	2.78	3.384	80.3526	118.79	3.242	405.642181872275
Cond-004254	NPD4319	NPD4319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8523555599	OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)N1CC(=Nc2ccccc12)O	InChI=1S/C20H20N4O5/c25-17(23-15(19(27)28)10-13-6-2-1-3-7-13)11-21-20(29)24-12-18(26)22-14-8-4-5-9-16(14)24/h1-9,15H,10-12H2,(H,21,29)(H,22,26)(H,23,25)(H,27,28)/t15-/m0/s1	C20H20N4O5	396.397	9	4	131.33	3	9	0	-2.0822	2.27497	2.67	3.464	50.392	111.105	2.8635	357.180362443207
Cond-004255	NPD432	NPD432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.8755028058	CC12CCC(C(C1)OC(=O)C[N+](C)(C)CCOC1CC3CCC1(C)C3(C)C)C2(C)C	InChI=1S/C26H46NO3/c1-23(2)18-9-12-26(23,6)21(15-18)29-14-13-27(7,8)17-22(28)30-20-16-25(5)11-10-19(20)24(25,3)4/h18-21H,9-17H2,1-8H3/q+1	C26H46NO3+	420.648	4	0	35.53	4	8	1	0.950699999999997	5.28609000000001	3.88	6.062	117.1382	123.1634	3.592	444.875435129587
Cond-004256	NPD4320	NPD4320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.608839261	COc1c(OC)cc(/C=C/2\Oc3c(ccc(OCC(=O)NCCC(=O)O)c3)C2=O)cc1	InChI=1S/C22H21NO8/c1-28-16-6-3-13(9-18(16)29-2)10-19-22(27)15-5-4-14(11-17(15)31-19)30-12-20(24)23-8-7-21(25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)(H,25,26)/b19-10-	C22H21NO8	427.404	9	2	120.39	3	10	0	-1.6846	3.34246	2.89	2.169	61.3463	115.984	3.022	385.152731172124
Cond-004257	NPD4322	NPD4322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1673681851	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(=O)O)c1ccc(C)cc1	InChI=1S/C29H24N4O5/c1-16-10-12-17(13-11-16)26-25-20(18-6-2-4-8-21(18)31-25)14-23-28(37)33(29(38)32(23)26)22-9-5-3-7-19(22)27(36)30-15-24(34)35/h2-13,23,26,31H,14-15H2,1H3,(H,30,36)(H,34,35)/t23-,26?/m0/s1	C29H24N4O5	508.525	9	3	122.81	6	6	1	-1.7511	3.2926	3.66	5.44	54.4951	141.859	3.63380000000001	443.429013170408
Cond-004258	NPD4323	NPD4323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2231313306	COc1ccc(Br)cc1C1N2C[C@@]3(C)CN1C[C@@](C)(C2)C3O	InChI=1S/C17H23BrN2O2/c1-16-7-19-9-17(2,15(16)21)10-20(8-16)14(19)12-6-11(18)4-5-13(12)22-3/h4-6,14-15,21H,7-10H2,1-3H3/t14?,15?,16-,17+	C17H23BrN2O2	367.281	4	1	35.94	1	2	0	1.0757	2.689	2.78	2.307	65.9449	90.3508	2.4325	293.210579229957
Cond-004259	NPD4324	NPD4324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4601835773	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1C)C(=O)O	InChI=1S/C21H26N2O7/c1-5-11(2)19(21(27)28)23-16(24)9-22-17(25)10-29-15-7-6-14-12(3)8-18(26)30-20(14)13(15)4/h6-8,11,19H,5,9-10H2,1-4H3,(H,22,25)(H,23,24)(H,27,28)/t11-,19-/m1/s1	C21H26N2O7	418.44	9	3	131.03	2	11	1	-0.969100000000001	2.25489	2.78	1.701	79.8331	113.4632	3.1168	398.592656156263
Cond-004260	NPD4325	NPD4325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4776584345	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(C)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1cc(OC)ccc1	InChI=1S/C30H27N3O4/c1-17-8-5-12-21-25(17)32-28(36)30(21)29(20-11-3-4-13-22(20)31-27(29)35)24(23-14-7-15-33(23)30)26(34)18-9-6-10-19(16-18)37-2/h3-6,8-13,16,23-24H,7,14-15H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,29+,30+/m0/s1	C30H27N3O4	493.553	7	2	87.74	7	3	0	-2.3442	4.8855	3.99	3.836	58.4233	140.8989	3.59360000000001	444.754469588347
Cond-004261	NPD4326	NPD4326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6862355053	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCOCCCC)c1cc(Cl)ccc1	InChI=1S/C33H33ClN4O4/c1-2-3-17-42-18-9-16-35-31(39)24-13-5-7-15-27(24)38-32(40)28-20-25-23-12-4-6-14-26(23)36-29(25)30(37(28)33(38)41)21-10-8-11-22(34)19-21/h4-8,10-15,19,28,30,36H,2-3,9,16-18,20H2,1H3,(H,35,39)/t28-,30?/m0/s1	C33H33ClN4O4	585.093	8	2	94.74	6	11	2	-2.1392	5.77468000000001	4.1	6.716	73.2165	165.7157	4.30410000000001	521.670251444547
Cond-004262	NPD4327	NPD4327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5825762412	CCn1c2c(cccc2)c2c1ccc(c2)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C30H24N2O3/c1-3-32-26-11-7-6-9-22(26)24-15-20(12-13-27(24)32)31-16-19-14-25-21-8-4-5-10-23(21)30(33)35-29(25)18(2)28(19)34-17-31/h4-15H,3,16-17H2,1-2H3	C30H24N2O3	460.523	5	0	43.7	7	2	1	0.793	8.06438000000001	4.21	7.689	38.1455	146.275	3.3921	400.531023978819
Cond-004263	NPD4328	NPD4328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.2794248006	[C@@H]12CCC3=C/C(=N/OCC(=O)NCC(C)(C)C(O)C(=O)O)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C28H44N2O6/c1-25(2,23(32)24(33)34)16-29-22(31)15-36-30-18-8-11-26(3)17(14-18)6-7-19-20(26)9-12-27(4)21(19)10-13-28(27,5)35/h14,19-21,23,32,35H,6-13,15-16H2,1-5H3,(H,29,31)(H,33,34)/b30-18+/t19-,20?,21?,23?,26+,27+,28+/m1/s1	C28H44N2O6	504.659	8	4	128.45	4	8	0	0.246199999999999	3.97047000000001	3.66	3.888	134.4392	141.2781	3.9992	507.60723923837
Cond-004264	NPD4329	NPD4329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3861326958	OC(=O)CCCNC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C19H17NO6/c21-17(20-9-3-6-18(22)23)11-25-12-7-8-14-13-4-1-2-5-15(13)19(24)26-16(14)10-12/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,20,21)(H,22,23)	C19H17NO6	355.341	7	2	101.93	3	8	0	-1.5632	3.02908	2.78	3.113	39.3066	98.399	2.5249	318.320782594201
Cond-004265	NPD433	NPD433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.7348352271	Cn1c(=O)c(C(=O)Nc2c(O)c3c([nH]c2=O)cccc3)c(O)c2c1cccc2	InChI=1S/C20H15N3O5/c1-23-13-9-5-3-7-11(13)16(24)14(20(23)28)18(26)22-15-17(25)10-6-2-4-8-12(10)21-19(15)27/h2-9,24H,1H3,(H,22,26)(H2,21,25,27)	C20H15N3O5	377.35	8	4	118.97	4	3	0	-2.6351	3.10556	2.78	4.143	49.977	105.012	2.6121	331.190684833441
Cond-004266	NPD4330	NPD4330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3797225029	CCOc1c(OC)cc(cc1)C1N2C[C@@]3(CC)CN1C[C@@](CC)(C2)C3O	InChI=1S/C21H32N2O3/c1-5-20-11-22-13-21(6-2,19(20)24)14-23(12-20)18(22)15-8-9-16(26-7-3)17(10-15)25-4/h8-10,18-19,24H,5-7,11-14H2,1-4H3/t18?,19?,20-,21+	C21H32N2O3	360.49	5	1	45.17	1	6	0	-0.284699999999998	2.5499	3.22	2.99	78.6522	100.7268	2.8798	351.901125456419
Cond-004267	NPD4332	NPD4332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.4792576159	CN1C(=O)N(C)C(=O)C2(Cc3c(cccc3)N3CCN(CC23)c2ccccc2)C1=O	InChI=1S/C23H24N4O3/c1-24-20(28)23(21(29)25(2)22(24)30)14-16-8-6-7-11-18(16)27-13-12-26(15-19(23)27)17-9-4-3-5-10-17/h3-11,19H,12-15H2,1-2H3	C23H24N4O3	404.462	7	0	64.17	5	1	0	-0.572900000000002	2.09978	3.22	3.189	61.771	116.582	2.9946	369.411404218886
Cond-004268	NPD4333	NPD4333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.207920792	Cc1ccc(C)c(c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C25H21NO3/c1-16-8-9-17(2)22(12-16)26-14-21-23(28-15-26)11-10-19-20(13-24(27)29-25(19)21)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3	C25H21NO3	383.439	4	0	38.77	5	2	1	1.2346	5.79961	3.77	7.728	39.7825	117.501	2.891	354.840175444519
Cond-004269	NPD4334	NPD4334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0451794476	C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C20H19N3O5/c1-12(19(26)27)21-17(24)16(11-13-7-3-2-4-8-13)23-18(25)14-9-5-6-10-15(14)22-20(23)28/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,28)(H,26,27)/t12-,16-/m0/s1	C20H19N3O5	381.382	8	3	119.3	3	7	0	-1.2731	2.02008	2.78	4.68	47.9895	105.5678	2.7637	346.183602235041
Cond-004270	NPD4335	NPD4335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.337556871	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCc1cc(OC)ccc1	InChI=1S/C27H23N3O3/c1-33-17-8-6-7-16(13-17)15-28-26(31)23-14-21-18-9-4-5-12-22(18)29-24(21)25-19-10-2-3-11-20(19)27(32)30(23)25/h2-13,23,25,29H,14-15H2,1H3,(H,28,31)/t23-,25?/m0/s1	C27H23N3O3	437.49	6	2	74.43	6	5	1	-1.8753	3.21189	3.77	5.16	41.7971	127.3857	3.22080000000001	385.532747710986
Cond-004271	NPD4336	NPD4336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7420484245	Cc1c(CC(=O)N2CCC(CC2)C(=O)N)c(=O)oc2cc3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C26H23ClN2O5/c1-14-18-10-20-21(15-2-4-17(27)5-3-15)13-33-22(20)12-23(18)34-26(32)19(14)11-24(30)29-8-6-16(7-9-29)25(28)31/h2-5,10,12-13,16H,6-9,11H2,1H3,(H2,28,31)	C26H23ClN2O5	478.924	7	2	102.84	5	5	0	-0.7146	5.16007000000001	3.44	2.758	65.2083	133.1304	3.3715	415.924441450108
Cond-004272	NPD4338	NPD4338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1217230289	COC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1C)c1cc2c(oc1=O)cccc2	InChI=1S/C23H18O7/c1-12-18(28-13(2)22(25)27-3)9-8-15-16(11-20(24)30-21(12)15)17-10-14-6-4-5-7-19(14)29-23(17)26/h4-11,13H,1-3H3	C23H18O7	406.385	7	0	88.13	4	5	0	0.6488	3.88468	3.22	4.559	59.0364	111.361	2.8528	367.668811487663
Cond-004273	NPD4339	NPD4339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5122623855	COc1ccc(cc1)C1N(C(=O)C(=O)/C/1=C(/O)\C=C\c1ccccc1)c1cccc(C)c1	InChI=1S/C27H23NO4/c1-18-7-6-10-21(17-18)28-25(20-12-14-22(32-2)15-13-20)24(26(30)27(28)31)23(29)16-11-19-8-4-3-5-9-19/h3-17,25,29H,1-2H3/b16-11+,24-23+	C27H23NO4	425.476	5	1	66.84	4	5	1	-0.1819	5.06908	3.88	8.513	50.0259	124.9978	3.25410000000001	405.305912696013
Cond-004274	NPD434	NPD434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.291756938	OC(=O)CC(O)(CC(=O)O)C(=O)O.C[C@@]12CN3C[C@@](C)(CN(C1)C3c1ccc(O)cc1)C2	InChI=1S/C16H22N2O.C6H8O7/c1-15-7-16(2)10-17(8-15)14(18(9-15)11-16)12-3-5-13(19)6-4-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,14,19H,7-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14?,15-,16+;	C22H30N2O8	450.482	3	1	26.71	1	1	0	0.7453	2.46779	2.89	2.384	51.2331	76.4660000000001	2.0579	247.840748925962
Cond-004275	NPD4340	NPD4340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7649499634	Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccco3)c(=O)oc1c2C	InChI=1S/C22H21NO5/c1-12-11-27-20-14(3)21-18(9-17(12)20)13(2)16(22(25)28-21)6-7-19(24)23-10-15-5-4-8-26-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,23,24)	C22H21NO5	379.406	6	1	81.68	4	6	0	1.0773	4.06421	3.22	2.643	55.4829	107.4267	2.7803	338.162051070441
Cond-004276	NPD4341	NPD4341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.231074306	COc1cccc2c1oc(=O)cc2c1cc2c(oc1=O)cc(OCc1ccc3ccccc3c1)cc2	InChI=1S/C30H20O6/c1-33-26-8-4-7-23-24(16-28(31)36-29(23)26)25-14-21-11-12-22(15-27(21)35-30(25)32)34-17-18-9-10-19-5-2-3-6-20(19)13-18/h2-16H,17H2,1H3	C30H20O6	476.476	6	0	71.06	6	5	1	0.0611999999999999	5.76216	4.1	8.347	44.3524	137.364	3.39120000000001	422.891724963369
Cond-004277	NPD4342	NPD4342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.3498143395	[C@@H]12CCCN1[C@]1(C(=O)Nc3c(Cl)cccc13)[C@@]1(C(=O)Nc3c1cccc3)[C@@H]2C(=O)c1ccc(Br)cc1	InChI=1S/C28H21BrClN3O3/c29-16-12-10-15(11-13-16)24(34)22-21-9-4-14-33(21)28(18-6-3-7-19(30)23(18)32-26(28)36)27(22)17-5-1-2-8-20(17)31-25(27)35/h1-3,5-8,10-13,21-22H,4,9,14H2,(H,31,35)(H,32,36)/t21-,22-,27+,28+/m0/s1	C28H21BrClN3O3	562.842	6	2	78.51	7	2	0	-1.3013	6.26478	3.66	4.487	59.8201	143.4169	3.55050000000001	435.866960384052
Cond-004278	NPD4343	NPD4343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.857936291	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccc(cc1)C(=O)NC(C)CCc1ccccc1)c1ccc(C)cc1	InChI=1S/C37H34N4O3/c1-23-12-16-26(17-13-23)34-33-30(29-10-6-7-11-31(29)39-33)22-32-36(43)40(37(44)41(32)34)28-20-18-27(19-21-28)35(42)38-24(2)14-15-25-8-4-3-5-9-25/h3-13,16-21,24,32,34,39H,14-15,22H2,1-2H3,(H,38,42)/t24?,32-,34?/m0/s1	C37H34N4O3	582.691	7	2	85.51	7	8	1	-1.5342	5.96380000000001	4.76	10.564	59.7874	173.3597	4.44900000000001	535.687060673819
Cond-004279	NPD4344	NPD4344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.1249707465	CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CCCc2c1cccc2	InChI=1S/C29H32N4O3/c1-17(2)24(26(34)31-22-14-8-10-18-9-4-5-11-19(18)22)33-27(35)29(3)25-21(15-16-32(29)28(33)36)20-12-6-7-13-23(20)30-25/h4-7,9,11-13,17,22,24,30H,8,10,14-16H2,1-3H3,(H,31,34)/t22?,24-,29-/m0/s1	C29H32N4O3	484.589	7	2	85.51	6	5	1	-1.5328	3.89678000000001	3.88	5.392	74.5022	140.3527	3.6884	447.294394572486
Cond-004280	NPD4345	NPD4345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.6875731336	COc1c(OC)cc(CN2CC(=O)N3CC(c4c([nH]c5ccccc45)[C@@]3(C)C2=O)c2c(Cl)cccc2)cc1	InChI=1S/C30H28ClN3O4/c1-30-28-27(20-9-5-7-11-23(20)32-28)21(19-8-4-6-10-22(19)31)16-34(30)26(35)17-33(29(30)36)15-18-12-13-24(37-2)25(14-18)38-3/h4-14,21,32H,15-17H2,1-3H3/t21?,30-/m0/s1	C30H28ClN3O4	530.014	7	1	74.87	6	5	0	-1.1076	4.58479000000001	3.88	4.835	64.025	148.143	3.82460000000001	461.42199605958
Cond-004281	NPD4346	NPD4346	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.3683893022	CC(C)NC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O	InChI=1S/C24H23NO4/c1-14(2)25-23(26)10-9-17-15(3)18-11-19-20(16-7-5-4-6-8-16)13-28-21(19)12-22(18)29-24(17)27/h4-8,11-14H,9-10H2,1-3H3,(H,25,26)	C24H23NO4	389.444	5	1	68.54	4	6	1	-0.0120000000000007	5.69747000000001	3.55	5.439	53.3427	117.5177	2.9604	361.327334920813
Cond-004282	NPD4347	NPD4347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.6614961469	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCC(=O)O)c(C)c1c2	InChI=1S/C19H19NO6/c1-8-11(4)25-17-10(3)18-13(5-12(8)17)9(2)14(19(24)26-18)6-15(21)20-7-16(22)23/h5H,6-7H2,1-4H3,(H,20,21)(H,22,23)	C19H19NO6	357.357	7	2	105.84	3	5	0	1.1553	2.51574	2.78	1.471	61.8	98.3585	2.5679	320.957241295002
Cond-004283	NPD4348	NPD4348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0546506697	COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c(C)c(OCC(=O)C)ccc12	InChI=1S/C23H18O7/c1-12(24)11-28-18-8-7-15-16(10-20(25)29-21(15)13(18)2)17-9-14-5-4-6-19(27-3)22(14)30-23(17)26/h4-10H,11H2,1-3H3	C23H18O7	406.385	7	0	88.13	4	5	0	0.2359	3.92078	3.22	3.322	60.4747	111.983	2.8528	367.668811487663
Cond-004284	NPD4349	NPD4349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.224983972	COC(=O)COc1ccc2c(=O)c(coc2c1)c1ccc(OC)c(OC)c1	InChI=1S/C20H18O7/c1-23-16-7-4-12(8-18(16)24-2)15-10-27-17-9-13(26-11-19(21)25-3)5-6-14(17)20(15)22/h4-10H,11H2,1-3H3	C20H18O7	370.353	7	0	80.29	3	7	0	-1.115	3.92456	2.89	2.772	48.1064	102.7375	2.6247	333.410233712463
Cond-004285	NPD435	NPD435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.4468186588	COc1cc2c([nH]cc2CCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1	InChI=1S/C28H38N2O3/c1-27(2,3)22-14-18(15-23(26(22)32)28(4,5)6)8-11-25(31)29-13-12-19-17-30-24-10-9-20(33-7)16-21(19)24/h9-10,14-17,30,32H,8,11-13H2,1-7H3,(H,29,31)	C28H38N2O3	450.613	5	3	74.35	3	10	1	1.9095	6.29637000000001	3.99	6.643	77.4541	142.5277	3.7597	450.347183034286
Cond-004286	NPD4350	NPD4350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6987447699	COc1ccc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(=O)O)c4ccccc4)c3)C2=O)cc1	InChI=1S/C26H21NO7/c1-32-18-9-7-16(8-10-18)13-22-25(29)20-12-11-19(14-21(20)34-22)33-15-23(28)27-24(26(30)31)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,27,28)(H,30,31)/b22-13-/t24-/m1/s1	C26H21NO7	459.447	8	2	111.16	4	9	1	-1.8363	4.34396	3.44	5.466	48.0919	128.353	3.28930000000001	414.38060817183
Cond-004287	NPD4351	NPD4351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.7722772277	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc(Cl)c(C)cc1	InChI=1S/C22H22ClNO3/c1-3-4-5-15-10-21(25)27-22-17(15)8-9-20-18(22)12-24(13-26-20)16-7-6-14(2)19(23)11-16/h6-11H,3-5,12-13H2,1-2H3	C22H22ClNO3	383.868	4	0	38.77	4	4	1	0.874599999999999	6.51218	3.33	5.724	56.4833	112.586	2.8283	349.329124140552
Cond-004288	NPD4352	NPD4352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5993223003	COc1ccc(cc1)c1cc(=O)oc2c3CN(COc3ccc12)c1cc(Cl)c(OC)cc1	InChI=1S/C25H20ClNO5/c1-29-17-6-3-15(4-7-17)19-12-24(28)32-25-18(19)8-10-22-20(25)13-27(14-31-22)16-5-9-23(30-2)21(26)11-16/h3-12H,13-14H2,1-2H3	C25H20ClNO5	449.883	6	0	57.23	5	4	1	0.591299999999999	6.35946	3.44	5.235	49.0255	128.069	3.1308	387.631696616074
Cond-004289	NPD4354	NPD4354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.004849896	CCCCCCCCCCCNC(=O)c1c(O)c2c(cc(OC)c(OC)c2)nc1O	InChI=1S/C23H34N2O5/c1-4-5-6-7-8-9-10-11-12-13-24-22(27)20-21(26)16-14-18(29-2)19(30-3)15-17(16)25-23(20)28/h14-15H,4-13H2,1-3H3,(H,24,27)(H2,25,26,28)	C23H34N2O5	418.526	7	3	100.91	2	14	2	-4.1881	5.29738000000001	3.22	6.579	64.0176	121.7993	3.3672	409.977089408475
Cond-004290	NPD4355	NPD4355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.119159672	CC(C)C[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C19H35N3O4/c1-11(2)9-15(20)18(24)21-10-13-5-7-14(8-6-13)17(23)22-16(12(3)4)19(25)26/h11-16H,5-10,20H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)/t13-,14-,15-,16+/m0/s1	C19H35N3O4	369.499	7	5	121.52	1	11	1	-0.588900000000002	1.74169	2.78	-0.382	94.9012	103.5356	3.0823	385.065519215813
Cond-004291	NPD4356	NPD4356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7870156657	CCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)ccc12	InChI=1S/C23H29NO6/c1-3-4-17-11-21(26)30-22-14(2)19(10-9-18(17)22)29-13-20(25)24-12-15-5-7-16(8-6-15)23(27)28/h9-11,15-16H,3-8,12-13H2,1-2H3,(H,24,25)(H,27,28)/t15-,16-	C23H29NO6	415.479	7	2	101.93	3	9	0	-0.105199999999999	4.31059000000001	3.22	3.294	84.2786	116.7595	3.1745	403.677638499269
Cond-004292	NPD4358	NPD4358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.062230637	COc1cc2c(cc1OC)c1cc(Oc3ccccn3)nc(=O)n1CC2	InChI=1S/C19H17N3O4/c1-24-15-9-12-6-8-22-14(13(12)10-16(15)25-2)11-18(21-19(22)23)26-17-5-3-4-7-20-17/h3-5,7,9-11H,6,8H2,1-2H3	C19H17N3O4	351.356	7	0	73.25	4	4	0	-0.617600000000001	2.72266	2.78	2.657	48.1582	100.297	2.4985	310.377390908613
Cond-004293	NPD4359	NPD4359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	80.9922770887	CCc1ccc(cc1)C1CN2C(=O)CN(C3CCCC3)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C28H31N3O2/c1-3-18-12-14-19(15-13-18)22-16-31-24(32)17-30(20-8-4-5-9-20)27(33)28(31,2)26-25(22)21-10-6-7-11-23(21)29-26/h6-7,10-15,20,22,29H,3-5,8-9,16-17H2,1-2H3/t22?,28-/m0/s1	C28H31N3O2	441.565	5	1	56.41	6	3	1	-2.6554	4.55849000000001	3.99	6.347	64.4604	132.273	3.432	412.847881738692
Cond-004294	NPD436	NPD436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.526875065	CCCN1C(=O)[C@]2(N3C[C@]4(C)CN2C[C@](C)(C3)C4=O)c2c1ccc(C)c2	InChI=1S/C21H27N3O2/c1-5-8-24-16-7-6-14(2)9-15(16)21(18(24)26)22-10-19(3)11-23(21)13-20(4,12-22)17(19)25/h6-7,9H,5,8,10-13H2,1-4H3/t19-,20+,21-	C21H27N3O2	353.458	5	0	43.86	2	2	0	0.1555	2.32511	3.22	1.43	75.0027	101.926	2.7263	336.478282861624
Cond-004295	NPD4360	NPD4360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2735782822	COc1c(OC(C)C)ccc(c1)C1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C29H35N3O4/c1-17(2)14-31-16-25(33)32-15-21(19-11-12-23(36-18(3)4)24(13-19)35-6)26-20-9-7-8-10-22(20)30-27(26)29(32,5)28(31)34/h7-13,17-18,21,30H,14-16H2,1-6H3/t21?,29-/m0/s1	C29H35N3O4	489.606	7	1	74.87	5	6	0	-1.3291	4.50529000000001	3.88	4.214	82.1758	142.66	3.7989	460.080778466481
Cond-004296	NPD4361	NPD4361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0488712478	CC(C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)NCCCC(=O)O	InChI=1S/C27H33N3O8/c1-13(2)25(26(35)28-8-6-7-24(33)34)30-23(32)12-29-22(31)10-19-15(4)18-9-17-14(3)16(5)37-20(17)11-21(18)38-27(19)36/h9,11,13,25H,6-8,10,12H2,1-5H3,(H,28,35)(H,29,31)(H,30,32)(H,33,34)/t25-/m1/s1	C27H33N3O8	527.566	11	4	164.04	3	14	1	-0.5821	2.52492	3.22	1.4	100.9445	143.7309	3.9261	493.626174717792
Cond-004297	NPD4362	NPD4362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5475228996	COc1ccc(cc1)N1C(=NC(=O)C2(Cc3c(cccc3)N3CCCC23)C1=O)O	InChI=1S/C22H21N3O4/c1-29-16-10-8-15(9-11-16)25-20(27)22(19(26)23-21(25)28)13-14-5-2-3-6-17(14)24-12-4-7-18(22)24/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,23,26,28)	C22H21N3O4	391.42	7	1	82.44	5	2	0	-1.5347	3.35257	3.11	3.913	52.0291	112.9798	2.8126	349.908886085413
Cond-004298	NPD4363	NPD4363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.538547378	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccc(OC)cc1)c1cc(Cl)ccc1	InChI=1S/C34H27ClN4O4/c1-43-23-15-13-20(14-16-23)19-36-32(40)25-10-3-5-12-28(25)39-33(41)29-18-26-24-9-2-4-11-27(24)37-30(26)31(38(29)34(39)42)21-7-6-8-22(35)17-21/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1	C34H27ClN4O4	591.056	8	2	94.74	7	7	1	-1.2474	5.43718000000001	4.21	7.029	54.8553	166.4467	4.20740000000001	507.800401267214
Cond-004299	NPD4364	NPD4364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.020534802	COc1cc2c([nH]c3c2CCNC3c2c(O)nc(O)n(c2=O)c2ccc(Cl)cc2)cc1	InChI=1S/C22H19ClN4O4/c1-31-13-6-7-16-15(10-13)14-8-9-24-19(18(14)25-16)17-20(28)26-22(30)27(21(17)29)12-4-2-11(23)3-5-12/h2-7,10,19,24-25,28H,8-9H2,1H3,(H,26,30)	C22H19ClN4O4	438.864	8	4	110.18	5	3	0	0.0356999999999998	3.91415	2.89	2.829	57.4294	122.8623	2.9918	362.580255363213
Cond-004300	NPD4365	NPD4365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.7907022555	[C@H]1(C)[C@H](OC(=O)CCC(=O)NC(CO)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C22H33NO10/c1-11-4-5-14-12(2)19(29-17(26)7-6-16(25)23-15(10-24)18(27)28)30-20-22(14)13(11)8-9-21(3,31-20)32-33-22/h11-15,19-20,24H,4-10H2,1-3H3,(H,23,25)(H,27,28)/t11-,12-,13+,14+,15?,19-,20-,21+,22?/m1/s1	C22H33NO10	471.498	11	3	149.85	3	9	1	-0.792900000000002	1.31339	2.67	1.491	99.6892	112.0493	3.3318	430.631936778047
Cond-004301	NPD4366	NPD4366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.552699741	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)NC1CCCC1	InChI=1S/C22H21NO4/c24-21(23-16-8-4-5-9-16)14-26-17-10-11-18-19(15-6-2-1-3-7-15)13-22(25)27-20(18)12-17/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,23,24)	C22H21NO4	363.406	5	1	64.63	4	6	1	-2.1187	4.02687	3.33	5.712	43.982	105.7337	2.7216	340.27182436988
Cond-004302	NPD4367	NPD4367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.228401767	OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C29H28N4O7/c34-17-23(28(38)39)31-25(35)22(15-18-9-3-1-4-10-18)30-26(36)24(16-19-11-5-2-6-12-19)33-27(37)20-13-7-8-14-21(20)32-29(33)40/h1-14,22-24,34H,15-17H2,(H,30,36)(H,31,35)(H,32,40)(H,38,39)/t22-,23-,24-/m0/s1	C29H28N4O7	544.555	11	5	168.63	4	13	3	-2.5026	1.71998	3.44	6.511	64.9973	149.0563	3.96840000000001	496.62238397313
Cond-004303	NPD4368	NPD4368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3637710138	COc1ccc(cc1)c1coc2cc(OCc3ccc(C=C)cc3)ccc2c1=O	InChI=1S/C25H20O4/c1-3-17-4-6-18(7-5-17)15-28-21-12-13-22-24(14-21)29-16-23(25(22)26)19-8-10-20(27-2)11-9-19/h3-14,16H,1,15H2,2H3	C25H20O4	384.424	4	0	44.76	4	6	1	-0.153500000000001	5.29766	3.77	7.313	39.0996	115.439	2.9155	362.353641936913
Cond-004304	NPD4369	NPD4369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9900990099	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1OCN(C2)c1ccc(OCc2ccccc2)cc1	InChI=1S/C31H25NO4/c1-21-30-24(16-28-27(17-29(33)36-31(21)28)23-10-6-3-7-11-23)18-32(20-35-30)25-12-14-26(15-13-25)34-19-22-8-4-2-5-9-22/h2-17H,18-20H2,1H3	C31H25NO4	475.534	5	0	48	6	5	1	0.4501	6.95638000000001	4.32	9.658	40.6117	143.613	3.5575	436.24047509708
Cond-004305	NPD437	NPD437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.0335756806	[C@@H](NOC(=O)C(C)(C)C)(C(C)CC)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C26H29NO7/c1-6-16(2)22(27-34-25(30)26(3,4)5)24(29)33-18-12-13-19-20(14-18)31-15-21(23(19)28)32-17-10-8-7-9-11-17/h7-16,22,27H,6H2,1-5H3/t16?,22-/m1/s1	C26H29NO7	467.511	8	1	100.16	3	11	2	-0.378800000000001	5.75776000000001	3.44	6.861	73.1508	131.2092	3.5269	445.54644297503
Cond-004306	NPD4370	NPD4370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7970358172	COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(OC)ccc2OC)cc1	InChI=1S/C28H25N3O4/c1-33-18-10-8-17(9-11-18)16-29-28(32)24-15-21-20-6-4-5-7-23(20)30-26(21)27(31-24)22-14-19(34-2)12-13-25(22)35-3/h4-15,30H,16H2,1-3H3,(H,29,32)	C28H25N3O4	467.516	7	2	85.47	5	8	1	-1.199	5.34467000000001	3.77	5.178	37.4011	141.9677	3.48600000000001	410.438959037414
Cond-004307	NPD4371	NPD4371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	96.5718237502	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCc1ccccc1	InChI=1S/C28H35N3O3S/c1-18(2)17-22(24(32)29-16-10-13-19-11-6-5-7-12-19)30-25(33)23-28(3,4)35-27-21-15-9-8-14-20(21)26(34)31(23)27/h5-9,11-12,14-15,18,22-23,27H,10,13,16-17H2,1-4H3,(H,29,32)(H,30,33)/t22-,23+,27?/m0/s1	C28H35N3O3S	493.661	6	2	103.81	4	11	2	-0.287200000000002	3.99690000000001	3.77	7.663	84.9179	142.4784	3.8714	475.760049898453
Cond-004308	NPD4372	NPD4372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3489327788	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)N1CCC[C@@H]1C(=O)O)c1ccc(C)cc1	InChI=1S/C32H28N4O5/c1-18-12-14-19(15-13-18)28-27-22(20-7-2-4-9-23(20)33-27)17-26-30(38)36(32(41)35(26)28)24-10-5-3-8-21(24)29(37)34-16-6-11-25(34)31(39)40/h2-5,7-10,12-15,25-26,28,33H,6,11,16-17H2,1H3,(H,39,40)/t25-,26+,28?/m1/s1	C32H28N4O5	548.589	9	2	114.02	7	5	1	-2.2708	4.16740000000001	3.99	6.191	63.7913	153.5843	3.9479	482.960508347208
Cond-004309	NPD4374	NPD4374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.4905632914	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCN1CCOCC1)c1cc(OC)ccc1	InChI=1S/C34H35N5O5/c1-43-23-9-6-8-22(20-23)31-30-26(24-10-2-4-12-27(24)36-30)21-29-33(41)39(34(42)38(29)31)28-13-5-3-11-25(28)32(40)35-14-7-15-37-16-18-44-19-17-37/h2-6,8-13,20,29,31,36H,7,14-19,21H2,1H3,(H,35,40)/t29-,31?/m0/s1	C34H35N5O5	593.672	10	2	107.21	7	9	0	-2.3626	3.64538000000001	4.1	4.469	80.2294	168.7897	4.3725	531.185696507908
Cond-004310	NPD4375	NPD4375	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.917886381	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)NCCC(=O)O	InChI=1S/C19H17NO6/c1-11-15(25-10-16(21)20-9-8-17(22)23)7-6-13-12-4-2-3-5-14(12)19(24)26-18(11)13/h2-7H,8-10H2,1H3,(H,20,21)(H,22,23)	C19H17NO6	355.341	7	2	101.93	3	7	0	-0.6332	2.72171	2.78	2.867	41.8971	97.688	2.5249	318.320782594201
Cond-004311	NPD4376	NPD4376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.083027331	CCn1cc(C2N3C[C@@]4(CC)CN2C[C@@](CC)(C3)C4=O)c2c1cccc2	InChI=1S/C22H29N3O/c1-4-21-12-24-14-22(5-2,20(21)26)15-25(13-21)19(24)17-11-23(6-3)18-10-8-7-9-16(17)18/h7-11,19H,4-6,12-15H2,1-3H3/t19?,21-,22+	C22H29N3O	351.485	4	0	28.48	2	4	0	0.1813	3.96448000000001	3.44	2.966	71.9988	107.46	2.8085	334.08404078693
Cond-004312	NPD4377	NPD4377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.2245459276	OC[C@H](NC(=O)COc1cc2c(cc1)C(=O)/C(=C/c1cc3c(OCO3)cc1)/O2)C(=O)O	InChI=1S/C21H17NO9/c23-8-14(21(26)27)22-19(24)9-28-12-2-3-13-16(7-12)31-18(20(13)25)6-11-1-4-15-17(5-11)30-10-29-15/h1-7,14,23H,8-10H2,(H,22,24)(H,26,27)/b18-6-/t14-/m0/s1	C21H17NO9	427.361	10	3	140.62	4	8	0	-2.5359	2.52555	2.67	1.332	55.525	112.4538	2.8312	364.290514546018
Cond-004313	NPD4378	NPD4378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7857620735	CCCCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O)C(=O)O	InChI=1S/C27H27NO6/c1-4-5-11-22(26(30)31)28-23(29)13-19-15(2)18-12-20-21(17-9-7-6-8-10-17)14-33-24(20)16(3)25(18)34-27(19)32/h6-10,12,14,22H,4-5,11,13H2,1-3H3,(H,28,29)(H,30,31)	C27H27NO6	461.506	7	2	105.84	4	9	1	-0.694199999999998	5.57039000000001	3.66	5.903	63.9597	132.3535	3.4575	428.159283498736
Cond-004314	NPD438	NPD438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7512293828	CCc1cc2c(occ(c3nc(C)cs3)c2=O)cc1OC(C)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)OC	InChI=1S/C30H29N3O6S/c1-5-18-10-21-26(38-14-22(27(21)34)29-32-16(2)15-40-29)12-25(18)39-17(3)28(35)33-24(30(36)37-4)11-19-13-31-23-9-7-6-8-20(19)23/h6-10,12-15,17,24,31H,5,11H2,1-4H3,(H,33,35)/t17?,24-/m1/s1	C30H29N3O6S	559.633	9	2	147.85	5	11	2	-0.728300000000002	5.93477000000001	3.66	5.241	80.9405	159.6322	4.0487	492.02040574787
Cond-004315	NPD4380	NPD4380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9484989016	O=C(Oc1cc2c(ccc(=O)o2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1	InChI=1S/C22H19NO6/c24-20-11-9-16-8-10-17(13-19(16)29-20)28-21(25)18-7-4-12-23(18)22(26)27-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,13,18H,4,7,12,14H2/t18-/m1/s1	C22H19NO6	393.389	7	0	82.14	4	7	1	-0.615000000000001	3.53787	3.11	5.274	50.1901	106.587	2.796	355.215819070202
Cond-004316	NPD4381	NPD4381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.9603960396	Cc1c(C)c2cc3c(OCN(C3)c3ccc(F)cc3F)c(C)c2oc1=O	InChI=1S/C20H17F2NO3/c1-10-11(2)20(24)26-19-12(3)18-13(6-15(10)19)8-23(9-25-18)17-5-4-14(21)7-16(17)22/h4-7H,8-9H2,1-3H3	C20H17F2NO3	357.351	4	0	38.77	4	1	0	2.7471	5.35678	3	4.125	45.8846	98.258	2.4595	311.661204818998
Cond-004317	NPD4382	NPD4382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.6431424767	CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(OC)c3)coc2c1	InChI=1S/C19H16O7/c1-3-23-19(21)26-14-7-8-15-16(10-14)24-11-17(18(15)20)25-13-6-4-5-12(9-13)22-2/h4-11H,3H2,1-2H3	C19H16O7	356.326	7	0	80.29	3	7	0	-0.3114	4.75255	2.78	4.606	42.4215	99.5225	2.4838	316.114249086596
Cond-004318	NPD4383	NPD4383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2550235674	Cc1c(CCC(=O)N2CCC[C@H]2C(=O)NCCCCCC(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C30H36N2O7/c1-18-19(30(37)39-25-17-26-22(16-21(18)25)20-8-4-5-10-24(20)38-26)12-13-27(33)32-15-7-9-23(32)29(36)31-14-6-2-3-11-28(34)35/h16-17,23H,2-15H2,1H3,(H,31,36)(H,34,35)/t23-/m0/s1	C30H36N2O7	536.616	9	2	126.15	5	12	1	-2.7359	5.01456000000001	3.77	3.27	99.803	150.5725	4.0161	503.650682985864
Cond-004319	NPD4384	NPD4384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9991194169	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1	InChI=1S/C33H34N4O3/c1-20(2)18-27(31(38)34-17-16-21-10-4-3-5-11-21)36-32(39)28-19-25-22-12-8-9-15-26(22)35-29(25)30-23-13-6-7-14-24(23)33(40)37(28)30/h3-15,20,27-28,30,35H,16-19H2,1-2H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1	C33H34N4O3	534.648	7	3	94.3	6	10	1	-1.5313	4.11619000000001	4.32	8.15	68.417	157.8424	4.12300000000001	497.668956973553
Cond-004320	NPD4385	NPD4385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0312577524	CCCCCCc1c(C)c2ccc(OC(C)C(=O)NC(C)C(=O)O)cc2oc1=O	InChI=1S/C22H29NO6/c1-5-6-7-8-9-18-13(2)17-11-10-16(12-19(17)29-22(18)27)28-15(4)20(24)23-14(3)21(25)26/h10-12,14-15H,5-9H2,1-4H3,(H,23,24)(H,25,26)	C22H29NO6	403.469	7	2	101.93	2	11	1	-1.6511	4.25807000000001	3.11	4.64	76.8056	113.0025	3.1422	398.738112574202
Cond-004321	NPD4386	NPD4386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3323949326	Cc1coc2c3c(oc(=O)c(CC(=O)NCCc4c[nH]c5ccccc45)c3C)cc(C)c12	InChI=1S/C26H24N2O4/c1-14-10-21-24(25-23(14)15(2)13-31-25)16(3)19(26(30)32-21)11-22(29)27-9-8-17-12-28-20-7-5-4-6-18(17)20/h4-7,10,12-13,28H,8-9,11H2,1-3H3,(H,27,29)	C26H24N2O4	428.48	6	2	84.33	5	6	0	1.0042	4.88690000000001	3.66	4.09	56.7502	127.0677	3.1904	381.023146979113
Cond-004322	NPD4387	NPD4387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3395220176	[C@@H]12C(CCC(=O)O)NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(Cc1cc3c(OCO3)cc1)C2=O	InChI=1S/C25H23N3O7/c1-12-3-2-4-14-21(12)26-24(33)25(14)20-19(15(27-25)6-8-18(29)30)22(31)28(23(20)32)10-13-5-7-16-17(9-13)35-11-34-16/h2-5,7,9,15,19-20,27H,6,8,10-11H2,1H3,(H,26,33)(H,29,30)/t15?,19-,20+,25?/m1/s1	C25H23N3O7	477.466	10	3	134.27	6	5	0	-2.5803	1.9376	3.11	1.09	68.4351	123.5642	3.2598	413.174602663097
Cond-004323	NPD4388	NPD4388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.3130147458	COc1cc(/C=C/2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc(OC)c1OC	InChI=1S/C24H20O8S/c1-28-21-12-15(13-22(29-2)24(21)30-3)11-20-23(25)18-10-9-16(14-19(18)31-20)32-33(26,27)17-7-5-4-6-8-17/h4-14H,1-3H3/b20-11-	C24H20O8S	468.476	8	0	105.74	4	7	0	-0.9451	4.89666	3.11	4.187	48.5506	119.448	3.2159	401.364046871691
Cond-004324	NPD4389	NPD4389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0762933373	CCOC(=O)C1CCN(Cc2cc(=O)oc3c2cc2CCCc2c3)CC1	InChI=1S/C21H25NO4/c1-2-25-21(24)14-6-8-22(9-7-14)13-17-12-20(23)26-19-11-16-5-3-4-15(16)10-18(17)19/h10-12,14H,2-9,13H2,1H3	C21H25NO4	355.427	5	0	55.84	4	5	0	-0.499900000000001	3.30477	3.22	3.617	70.7191	102.118	2.7097	341.785215846413
Cond-004325	NPD439	NPD439	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.713761061	Fc1ccc(cc1)N1CCN(CC1)/C=C/1\CCn2c1nc1c(cccc1)c2=O	InChI=1S/C22H21FN4O/c23-17-5-7-18(8-6-17)26-13-11-25(12-14-26)15-16-9-10-27-21(16)24-20-4-2-1-3-19(20)22(27)28/h1-8,15H,9-14H2/b16-15+	C22H21FN4O	376.427	5	0	39.15	5	2	0	-0.0291999999999988	3.74066	3.22	4.384	56.6616	111.45	2.754	340.602525042203
Cond-004326	NPD4390	NPD4390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4131774917	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1)ncc2	InChI=1S/C27H27N3O5/c1-32-23-13-17-10-11-28-22(20(17)15-25(23)34-3)12-18-14-24(33-2)26(35-4)16-21(18)30-27(31)29-19-8-6-5-7-9-19/h5-11,13-16H,12H2,1-4H3,(H2,29,30,31)	C27H27N3O5	473.52	8	2	90.94	4	10	0	-0.513700000000001	6.57447000000001	3.55	4.792	43.9604	139.9084	3.55540000000001	427.826118513708
Cond-004327	NPD4391	NPD4391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.6614689378	COc1c(Cl)cc2c(oc(=O)c(CC(=O)N[C@@H](CSC)C(=O)O)c2C)c1	InChI=1S/C17H18ClNO6S/c1-8-9-4-11(18)14(24-2)6-13(9)25-17(23)10(8)5-15(20)19-12(7-26-3)16(21)22/h4,6,12H,5,7H2,1-3H3,(H,19,20)(H,21,22)/t12-/m0/s1	C17H18ClNO6S	399.846	7	2	127.23	2	8	0	1.0276	2.91557	2.34	1.902	73.3388	103.0405	2.7236	345.978281272901
Cond-004328	NPD4392	NPD4392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.501116348	OC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C24H19NO6/c26-22(25-20(23(27)28)12-15-6-2-1-3-7-15)14-30-16-10-11-18-17-8-4-5-9-19(17)24(29)31-21(18)13-16/h1-11,13,20H,12,14H2,(H,25,26)(H,27,28)/t20-/m0/s1	C24H19NO6	417.411	7	2	101.93	4	8	1	-1.4163	3.86018	3.33	6.388	35.3218	118.232	2.9918	373.634870920335
Cond-004329	NPD4393	NPD4393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.0697330838	CCCCCOc1cc(/C=C/C23NC(=O)CCN2c2c(cc(C)cc2)C3(C)C)ccc1	InChI=1S/C27H34N2O2/c1-5-6-7-17-31-22-10-8-9-21(19-22)13-15-27-26(3,4)23-18-20(2)11-12-24(23)29(27)16-14-25(30)28-27/h8-13,15,18-19H,5-7,14,16-17H2,1-4H3,(H,28,30)/b15-13+	C27H34N2O2	418.571	4	1	41.57	4	7	1	0.513599999999999	5.88909000000001	3.99	7.232	72.3117	129.0457	3.4515	422.804513007058
Cond-004330	NPD4394	NPD4394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2904778274	Cc1cc(OCC(=O)NC[C@H]2CC[C@@H](CC2)C(=O)O)c2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C28H31NO6/c1-17-12-23(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)26-18(2)22(28(33)35-24(26)13-17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t20-,21-	C28H31NO6	477.549	7	2	101.93	4	9	1	1.0784	4.58779000000001	3.77	6.024	79.561	134.2875	3.6414	458.991726825403
Cond-004331	NPD4395	NPD4395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3518173802	CCc1ccccc1N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C24H25NO3/c1-3-16-8-4-7-11-21(16)25-13-17-12-20-18-9-5-6-10-19(18)24(26)28-23(20)15(2)22(17)27-14-25/h4,7-8,11-12H,3,5-6,9-10,13-14H2,1-2H3	C24H25NO3	375.46	4	0	38.77	5	2	1	0.359400000000002	6.17518000000001	3.66	5.687	59.0399	114.84	2.8791	356.353566921052
Cond-004332	NPD4396	NPD4396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4660692686	CC(NC(=O)Cc1c(C)c2cc3c(OC(C)(C)CC3)cc2oc1=O)c1ccccc1	InChI=1S/C25H27NO4/c1-15-19-12-18-10-11-25(3,4)30-21(18)14-22(19)29-24(28)20(15)13-23(27)26-16(2)17-8-6-5-7-9-17/h5-9,12,14,16H,10-11,13H2,1-4H3,(H,26,27)	C25H27NO4	405.486	5	1	64.63	4	5	1	0.786399999999999	5.46186000000001	3.66	5.725	65.6638	120.8407	3.1443	392.15977824748
Cond-004333	NPD4397	NPD4397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1654517881	OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=Nc2ccccc12)O)C(=O)O	InChI=1S/C23H24N4O7/c28-19-13-27(18-9-5-4-8-15(18)24-19)23(34)26-17(12-14-6-2-1-3-7-14)21(31)25-16(22(32)33)10-11-20(29)30/h1-9,16-17H,10-13H2,(H,24,28)(H,25,31)(H,26,34)(H,29,30)(H,32,33)/t16-,17-/m0/s1	C23H24N4O7	468.459	11	5	168.63	3	12	2	-2.5305	2.50837	2.78	3.465	63.8329	126.8958	3.3606	424.01231102113
Cond-004334	NPD4398	NPD4398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3699307616	O=C1CCCC2=C1C(C=C1N2CCc2cc3c(OCO3)cc12)c1ccccc1	InChI=1S/C24H21NO3/c26-21-8-4-7-19-24(21)18(15-5-2-1-3-6-15)12-20-17-13-23-22(27-14-28-23)11-16(17)9-10-25(19)20/h1-3,5-6,11-13,18H,4,7-10,14H2	C24H21NO3	371.428	4	0	40.46	6	1	1	-0.4388	4.63992000000001	3.66	5.701	58.5895	108.919	2.7275	330.460649519452
Cond-004335	NPD4399	NPD4399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.856629955	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccco1)c1cc(OC)ccc1	InChI=1S/C32H26N4O5/c1-40-20-9-6-8-19(16-20)29-28-24(22-11-2-4-13-25(22)34-28)17-27-31(38)36(32(39)35(27)29)26-14-5-3-12-23(26)30(37)33-18-21-10-7-15-41-21/h2-16,27,29,34H,17-18H2,1H3,(H,33,37)/t27-,29?/m0/s1	C32H26N4O5	546.573	9	2	107.88	7	7	1	-2.1458	4.35758000000001	3.99	5.54	50.8588	156.1317	3.90490000000001	469.424049646408
Cond-004336	NPD440	NPD440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5301734551	COC(=O)c1c(NC(=O)CN2CCc3c(C2)cc(OC)c(OC)c3)c2c([nH]1)cccc2	InChI=1S/C23H25N3O5/c1-29-18-10-14-8-9-26(12-15(14)11-19(18)30-2)13-20(27)25-21-16-6-4-5-7-17(16)24-22(21)23(28)31-3/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,25,27)	C23H25N3O5	423.462	8	2	92.89	4	8	0	-1.0574	2.52068	3.11	2.82	58.6977	120.5337	3.1208	377.451556112641
Cond-004337	NPD4400	NPD4400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.3163020046	CC(C)C[C@H](NC(=O)COc1cc2c(cc1)C(=O)/C(=C/c1cc3c(OCO3)cc1)/O2)C(=O)O	InChI=1S/C24H23NO8/c1-13(2)7-17(24(28)29)25-22(26)11-30-15-4-5-16-19(10-15)33-21(23(16)27)9-14-3-6-18-20(8-14)32-12-31-18/h3-6,8-10,13,17H,7,11-12H2,1-2H3,(H,25,26)(H,28,29)/b21-9-/t17-/m0/s1	C24H23NO8	453.441	9	2	120.39	4	9	0	-1.2587	4.57935	3.11	3.899	66.9678	124.823	3.1952	407.388241723058
Cond-004338	NPD4401	NPD4401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.25350639	CCOc1ccccc1Oc1coc2cc(OCC(=C)C)ccc2c1=O	InChI=1S/C21H20O5/c1-4-23-17-7-5-6-8-18(17)26-20-13-25-19-11-15(24-12-14(2)3)9-10-16(19)21(20)22/h5-11,13H,2,4,12H2,1,3H3	C21H20O5	352.38	5	0	53.99	3	7	0	0.138	5.35805	3.22	4.68	49.8423	104.635	2.6482	333.125764937207
Cond-004339	NPD4402	NPD4402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0058665483	COc1cc(OC)c(CNC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1	InChI=1S/C22H23NO6/c1-13-17-7-5-15(24)10-20(17)29-22(26)18(13)8-9-21(25)23-12-14-4-6-16(27-2)11-19(14)28-3/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,23,25)	C22H23NO6	397.421	7	2	94.09	3	8	0	-0.4624	3.96647	3.11	2.322	58.4367	112.7755	2.9476	370.208736471802
Cond-004340	NPD4404	NPD4404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1621674301	CCCCCN1CC(=O)N2CC(c3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccc(Cl)cc1	InChI=1S/C26H28ClN3O2/c1-3-4-7-14-29-16-22(31)30-15-20(17-10-12-18(27)13-11-17)23-19-8-5-6-9-21(19)28-24(23)26(30,2)25(29)32/h5-6,8-13,20,28H,3-4,7,14-16H2,1-2H3/t20?,26-/m0/s1	C26H28ClN3O2	449.972	5	1	56.41	5	5	1	-1.8167	4.89709000000001	3.66	5.156	64.0269	130.041	3.3812	405.823438958191
Cond-004341	NPD4405	NPD4405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.4929999752	Cc1c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2cc3c(cc12)c(co3)C(C)(C)C	InChI=1S/C24H29N3O7/c1-12-13-8-15-16(24(2,3)4)11-33-18(15)10-19(13)34-22(31)14(12)9-20(28)27-17(21(29)30)6-5-7-26-23(25)32/h8,10-11,17H,5-7,9H2,1-4H3,(H,27,28)(H,29,30)(H3,25,26,32)/t17-/m0/s1	C24H29N3O7	471.503	10	5	160.96	3	11	1	-0.159399999999999	3.38277	3	1.986	83.4289	128.3886	3.4877	435.58445284043
Cond-004342	NPD4406	NPD4406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9571474895	CCOC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)c1	InChI=1S/C25H23NO6/c1-4-30-24(28)16-6-5-7-17(10-16)26-23(27)9-8-18-15(3)20-11-19-14(2)13-31-21(19)12-22(20)32-25(18)29/h5-7,10-13H,4,8-9H2,1-3H3,(H,26,27)	C25H23NO6	433.453	7	1	94.84	4	8	0	0.8394	5.21810000000001	3.44	3.962	59.9317	123.4277	3.1757	393.567314247002
Cond-004343	NPD4407	NPD4407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.717274357	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1ccccc1C(=O)NCCc1ccc(OC)cc1)c1ccccc1	InChI=1S/C35H30N4O4/c1-43-24-17-15-22(16-18-24)19-20-36-33(40)26-12-6-8-14-29(26)39-34(41)30-21-27-25-11-5-7-13-28(25)37-31(27)32(38(30)35(39)42)23-9-3-2-4-10-23/h2-18,30,32,37H,19-21H2,1H3,(H,36,40)/t30-,32?/m0/s1	C35H30N4O4	570.637	8	2	94.74	7	8	1	-1.7361	5.16578000000001	4.43	7.924	53.6915	167.0597	4.22590000000001	509.885318122647
Cond-004344	NPD4408	NPD4408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2480573819	Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c(C)cc(=O)oc2c1	InChI=1S/C22H20ClNO6/c1-12-7-17(21-13(2)9-20(26)30-18(21)8-12)29-11-19(25)24-16(22(27)28)10-14-3-5-15(23)6-4-14/h3-9,16H,10-11H2,1-2H3,(H,24,25)(H,27,28)	C22H20ClNO6	429.85	7	2	101.93	3	8	0	0.777499999999999	3.43319	3	3.822	60.965	113.8275	3.027	382.783345541435
Cond-004345	NPD4409	NPD4409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5859345806	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NCCc3ccccc3F)c(=O)cc12)NC(=O)C	InChI=1S/C29H31FN2O5/c1-17(33)32-23-11-9-19-15-26(35-2)28(36-3)29(37-4)27(19)20-10-12-24(25(34)16-21(20)23)31-14-13-18-7-5-6-8-22(18)30/h5-8,10,12,15-16,23H,9,11,13-14H2,1-4H3,(H,31,34)(H,32,33)/t23-/m0/s1	C29H31FN2O5	506.565	7	2	85.89	4	9	0	-0.534899999999999	3.81466000000001	3.77	4.246	92.4389	140.9214	3.7981	481.925345108381
Cond-004346	NPD441	NPD441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5523174327	COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(o3)C(=O)OC)cc12	InChI=1S/C20H20O8/c1-12-18(20(22)25-9-8-23-2)15-10-13(4-6-16(15)27-12)26-11-14-5-7-17(28-14)19(21)24-3/h4-7,10H,8-9,11H2,1-3H3	C20H20O8	388.368	8	0	97.34	3	10	0	-0.119700000000002	3.3139	2.78	2.684	50.3223	105.5765	2.7264	333.936919113824
Cond-004347	NPD4410	NPD4410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8375434359	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1ccc3OCOc3c1)C2O	InChI=1S/C21H30N2O3/c1-3-7-20-10-22-12-21(8-4-2,19(20)24)13-23(11-20)18(22)15-5-6-16-17(9-15)26-14-25-16/h5-6,9,18-19,24H,3-4,7-8,10-14H2,1-2H3/t18?,19?,20-,21+	C21H30N2O3	358.474	5	1	45.17	2	5	0	-1.6966	3.15229000000001	3.22	3.632	73.8493	100.4238	2.7712	339.544666755619
Cond-004348	NPD4411	NPD4411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2553632194	COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O	InChI=1S/C22H16O7/c1-13-21(29-17-7-4-3-6-16(17)25-2)20(23)15-10-9-14(12-19(15)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3	C22H16O7	392.358	7	0	84.2	4	6	0	-0.855300000000001	5.78995	3.11	4.971	38.5173	110.3235	2.7119	339.472826861796
Cond-004349	NPD4413	NPD4413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.6798223381	CC(C)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C26H29N5O7/c1-14(2)21(25(36)37)30-22(33)18(13-20(27)32)28-23(34)19(12-15-8-4-3-5-9-15)31-24(35)16-10-6-7-11-17(16)29-26(31)38/h3-11,14,18-19,21H,12-13H2,1-2H3,(H2,27,32)(H,28,34)(H,29,38)(H,30,33)(H,36,37)/t18-,19-,21-/m0/s1	C26H29N5O7	523.538	12	6	191.49	3	13	2	-2.1434	1.01638	3	3.422	79.1136	140.4739	3.8401	484.260566406097
Cond-004350	NPD4414	NPD4414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5694410544	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCc3ccco3)c(C)c1c2	InChI=1S/C22H21NO5/c1-12-14(3)27-19-10-20-18(9-17(12)19)13(2)16(22(25)28-20)6-7-21(24)23-11-15-5-4-8-26-15/h4-5,8-10H,6-7,11H2,1-3H3,(H,23,24)	C22H21NO5	379.406	6	1	81.68	4	6	0	0.874800000000001	4.04501	3.22	3.028	55.7133	109.8557	2.7803	338.162051070441
Cond-004351	NPD4415	NPD4415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6466487672	CC(N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1)c1ccccc1	InChI=1S/C25H21NO3/c1-17(18-8-4-2-5-9-18)26-15-22-23(28-16-26)13-12-20-21(14-24(27)29-25(20)22)19-10-6-3-7-11-19/h2-14,17H,15-16H2,1H3	C25H21NO3	383.439	4	0	38.77	5	3	1	-0.0485000000000005	5.37727	3.77	8.118	38.0749	116.528	2.89100000000001	354.840175444519
Cond-004352	NPD4416	NPD4416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9587750875	CN1CCc2c([nH]c3c2cccc3)C1c1c(O)nc(O)n(CCc2ccccc2)c1=O	InChI=1S/C24H24N4O3/c1-27-13-12-17-16-9-5-6-10-18(16)25-20(17)21(27)19-22(29)26-24(31)28(23(19)30)14-11-15-7-3-2-4-8-15/h2-10,21,25,29H,11-14H2,1H3,(H,26,31)	C24H24N4O3	416.472	7	3	92.16	5	4	0	0.146299999999998	3.10536	3.33	4.983	58.9567	123.4346	3.0925	373.170930143952
Cond-004353	NPD4417	NPD4417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.933551171	Cn1n(c(=O)c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c1C)c1ccccc1	InChI=1S/C28H23N3O5/c1-18-27(28(34)31(30(18)2)20-11-7-4-8-12-20)29-25(32)17-35-21-13-14-22-23(19-9-5-3-6-10-19)16-26(33)36-24(22)15-21/h3-16H,17H2,1-2H3,(H,29,32)	C28H23N3O5	481.499	8	1	88.18	5	7	1	-1.4219	4.66265000000001	3.66	7.049	59.6804	138.0227	3.50170000000001	438.392727037175
Cond-004354	NPD4418	NPD4418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3531852575	O=C(NCC1CCCO1)c1cc2c([nH]c3ccccc23)c(n1)c1ccccc1	InChI=1S/C23H21N3O2/c27-23(24-14-16-9-6-12-28-16)20-13-18-17-10-4-5-11-19(17)25-22(18)21(26-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,25H,6,9,12,14H2,(H,24,27)	C23H21N3O2	371.432	5	2	67.01	5	5	1	-1.8125	4.63717000000001	3.44	5.221	31.0061	116.7627	2.7931	325.187958609358
Cond-004355	NPD4419	NPD4419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4738246567	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(C)C)c1ccc(OC)cc1	InChI=1S/C31H30N4O4/c1-18(2)17-32-29(36)22-9-5-7-11-25(22)35-30(37)26-16-23-21-8-4-6-10-24(21)33-27(23)28(34(26)31(35)38)19-12-14-20(39-3)15-13-19/h4-15,18,26,28,33H,16-17H2,1-3H3,(H,32,36)/t26-,28?/m0/s1	C31H30N4O4	522.594	8	2	94.74	6	7	1	-1.4188	4.57908000000001	3.99	5.736	63.5075	151.7517	3.89990000000001	471.867214422381
Cond-004356	NPD442	NPD442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0042531899	CC(=O)OCC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C	InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16?,17?,18?,20-,21+,22+,23-/m1/s1	C23H30O5	386.481	5	0	72.97	5	4	0	0.0239999999999992	3.55808	3.44	2.726	102.0081	104.31	2.9278	377.987110291341
Cond-004357	NPD4420	NPD4420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6534653465	COc1cc(/C=C\2/Oc3c(ccc(OCC(=O)N[C@H](C(=O)O)c4ccccc4)c3)C2=O)c(OC)cc1	InChI=1S/C27H23NO8/c1-33-18-9-11-21(34-2)17(12-18)13-23-26(30)20-10-8-19(14-22(20)36-23)35-15-24(29)28-25(27(31)32)16-6-4-3-5-7-16/h3-14,25H,15H2,1-2H3,(H,28,29)(H,31,32)/b23-13+/t25-/m0/s1	C27H23NO8	489.473	9	2	120.39	4	10	1	-1.8881	4.35256	3.44	5.022	55.4077	134.905	3.4889	440.466819498258
Cond-004358	NPD4422	NPD4422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8420514865	CCC(C)n1c(=O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1O	InChI=1S/C19H22N4O3/c1-3-10(2)23-18(25)14(17(24)22-19(23)26)16-15-12(8-9-20-16)11-6-4-5-7-13(11)21-15/h4-7,10,16,20-21,25H,3,8-9H2,1-2H3,(H,22,24,26)	C19H22N4O3	354.403	7	4	100.95	4	3	0	-1.5388	2.31896	2.78	2.65	62.4049	103.5473	2.6256	317.856841817819
Cond-004359	NPD4423	NPD4423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1203290884	COc1c(OC)cc(CN2COc3ccc4c5c(CCCC5)c(=O)oc4c3C2)cc1	InChI=1S/C24H25NO5/c1-27-21-9-7-15(11-22(21)28-2)12-25-13-19-20(29-14-25)10-8-17-16-5-3-4-6-18(16)24(26)30-23(17)19/h7-11H,3-6,12-14H2,1-2H3	C24H25NO5	407.459	6	0	57.23	5	4	0	-0.681499999999998	4.73097000000001	3.44	3.738	62.5311	116.81	2.9965	373.934020322174
Cond-004360	NPD4424	NPD4424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1304776215	COc1ccc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1C	InChI=1S/C20H20N2O4/c1-12-15-4-5-17(25-3)13(2)19(15)26-20(24)16(12)10-18(23)22-11-14-6-8-21-9-7-14/h4-9H,10-11H2,1-3H3,(H,22,23)	C20H20N2O4	352.384	6	1	77.52	3	6	0	0.6293	3.28519	3	2.276	49.193	101.3767	2.6482	329.033074027113
Cond-004361	NPD4425	NPD4425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.992557678	Cc1c(CCC(=O)NCCCCCC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C30H36N2O7/c1-18-19(30(37)39-25-17-26-22(16-21(18)25)20-8-4-5-10-24(20)38-26)12-13-27(33)31-14-6-2-3-11-28(34)32-15-7-9-23(32)29(35)36/h16-17,23H,2-15H2,1H3,(H,31,33)(H,35,36)/t23-/m0/s1	C30H36N2O7	536.616	9	2	126.15	5	12	1	-2.7359	5.01456000000001	3.77	3.27	99.803	150.5725	4.0161	503.650682985864
Cond-004362	NPD4426	NPD4426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.4196793617	CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)c(C)c2oc1=O)C(=O)O	InChI=1S/C24H27NO6S/c1-12-15-10-17-14-6-4-5-7-19(14)30-22(17)13(2)21(15)31-24(29)16(12)11-20(26)25-18(23(27)28)8-9-32-3/h10,18H,4-9,11H2,1-3H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H27NO6S	457.539	7	2	131.14	4	8	0	0.276999999999999	4.22278	3.22	3.555	85.5806	128.3125	3.3273	413.589729781136
Cond-004363	NPD4427	NPD4427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.232365145	CCC(NC(=O)Cc1c(C)c2cc3c(occ3c3ccc(C)cc3)cc2oc1=O)C(=O)O	InChI=1S/C25H23NO6/c1-4-20(24(28)29)26-23(27)10-17-14(3)16-9-18-19(15-7-5-13(2)6-8-15)12-31-21(18)11-22(16)32-25(17)30/h5-9,11-12,20H,4,10H2,1-3H3,(H,26,27)(H,28,29)	C25H23NO6	433.453	7	2	105.84	4	7	0	-0.118200000000001	4.79019000000001	3.44	4.976	58.1365	123.1195	3.1757	393.567314247002
Cond-004364	NPD4428	NPD4428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3708757132	Cc1coc2c1cc1c(C)c(CC(=O)NCC3CCCO3)c(=O)oc1c2C	InChI=1S/C21H23NO5/c1-11-10-26-19-13(3)20-16(7-15(11)19)12(2)17(21(24)27-20)8-18(23)22-9-14-5-4-6-25-14/h7,10,14H,4-6,8-9H2,1-3H3,(H,22,23)	C21H23NO5	369.411	6	1	77.77	4	5	0	0.400099999999998	3.41861	3.11	1.945	64.5508	102.5657	2.7254	337.038983846174
Cond-004365	NPD4429	NPD4429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.4177146521	COc1ccc(cc1OC)c1cc2ccc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)cc2oc1=O	InChI=1S/C33H33NO8/c1-38-28-15-13-24(17-30(28)39-2)27-16-25-12-14-26(18-29(25)42-32(27)36)41-31(35)23-10-8-21(9-11-23)19-34-33(37)40-20-22-6-4-3-5-7-22/h3-7,12-18,21,23H,8-11,19-20H2,1-2H3,(H,34,37)	C33H33NO8	571.617	9	1	109.39	5	12	2	0.4972	5.77006000000001	4.1	7.411	78.7623	159.5727	4.2257	531.886268552658
Cond-004366	NPD443	NPD443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.5331838233	CCC(=O)N(CCC1(CCOC(C)(C)C1)c1ccccc1)Cc1ccc(OC(C)C)cc1	InChI=1S/C28H39NO3/c1-6-26(30)29(20-23-12-14-25(15-13-23)32-22(2)3)18-16-28(24-10-8-7-9-11-24)17-19-31-27(4,5)21-28/h7-15,22H,6,16-21H2,1-5H3	C28H39NO3	437.614	4	0	38.77	3	10	1	0.2868	6.02389000000001	4.1	8.115	80.5062	132.403	3.7029	452.88688152692
Cond-004367	NPD4430	NPD4430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9991194169	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccco1	InChI=1S/C30H30N4O4/c1-17(2)14-24(28(35)31-16-18-8-7-13-38-18)33-29(36)25-15-22-19-9-5-6-12-23(19)32-26(22)27-20-10-3-4-11-21(20)30(37)34(25)27/h3-13,17,24-25,27,32H,14-16H2,1-2H3,(H,31,35)(H,33,36)/t24-,25-,27?/m0/s1	C30H30N4O4	510.584	8	3	107.44	6	9	1	-1.941	3.30799000000001	3.88	5.344	65.5843	146.9144	3.80200000000001	457.207688497314
Cond-004368	NPD4431	NPD4431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9589374331	CCCCNC(=O)CN1CCC2(O)CCCCC2C1c1ccc2OCOc2c1	InChI=1S/C22H32N2O4/c1-2-3-11-23-20(25)14-24-12-10-22(26)9-5-4-6-17(22)21(24)16-7-8-18-19(13-16)28-15-27-18/h7-8,13,17,21,26H,2-6,9-12,14-15H2,1H3,(H,23,25)	C22H32N2O4	388.5	6	2	71.03	4	7	0	-3.0821	3.39328000000001	3.22	3.071	72.2266	110.8475	3.0364	375.350878082047
Cond-004369	NPD4432	NPD4432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4063949231	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc12	InChI=1S/C24H25NO7/c1-30-17-8-6-16(7-9-17)20-14-24(29)32-21-13-18(10-11-19(20)21)31-15-22(26)25-12-4-2-3-5-23(27)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,25,26)(H,27,28)	C24H25NO7	439.458	8	2	111.16	3	12	1	-2.0255	3.73787	3.22	3.568	61.469	121.0005	3.2451	410.954473723297
Cond-004370	NPD4434	NPD4434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4691333199	Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H21NO5/c1-16-19(9-10-25(28)27-14-18-8-5-11-30-18)26(29)32-24-13-23-21(12-20(16)24)22(15-31-23)17-6-3-2-4-7-17/h2-8,11-13,15H,9-10,14H2,1H3,(H,27,28)	C26H21NO5	427.449	6	1	81.68	5	7	1	-0.206699999999999	5.72357	3.66	5.438	44.4787	126.4667	3.1063	376.180154770708
Cond-004371	NPD4435	NPD4435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4003619546	Cc1c(CC(=O)Nc2ccccc2F)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C23H22FNO4/c1-13-15-10-14-8-9-23(2,3)29-19(14)12-20(15)28-22(27)16(13)11-21(26)25-18-7-5-4-6-17(18)24/h4-7,10,12H,8-9,11H2,1-3H3,(H,25,26)	C23H22FNO4	395.423	5	1	64.63	4	4	0	1.2652	6.30345000000001	3.33	4.648	57.2397	113.8917	2.8802	363.635367846053
Cond-004372	NPD4436	NPD4436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.6411414747	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3c2o1	InChI=1S/C22H21NO5/c1-11-8-17-20(21-19(11)12(2)14(4)27-21)13(3)16(22(25)28-17)9-18(24)23-10-15-6-5-7-26-15/h5-8H,9-10H2,1-4H3,(H,23,24)	C22H21NO5	379.406	6	1	81.68	4	5	0	1.4544	3.68293	3.22	3.182	56.35	108.8787	2.7803	338.162051070441
Cond-004373	NPD4437	NPD4437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.7562518245	Cc1cc(COc2ccc3c(=O)c(c(C)oc3c2)c2ccccc2)c(C)cc1	InChI=1S/C25H22O3/c1-16-9-10-17(2)20(13-16)15-27-21-11-12-22-23(14-21)28-18(3)24(25(22)26)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	C25H22O3	370.44	3	0	35.53	4	4	1	0.9885	4.77412	3.88	8.802	38.4593	109.694	2.8998	356.199873937152
Cond-004374	NPD4438	NPD4438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.386478157	[C@H]1(Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2cccc1)C(=O)NCCCOC(C)C	InChI=1S/C25H27N3O3/c1-15(2)31-13-7-12-26-24(29)21-14-19-16-8-5-6-11-20(16)27-22(19)23-17-9-3-4-10-18(17)25(30)28(21)23/h3-6,8-11,15,21,23,27H,7,12-14H2,1-2H3,(H,26,29)/t21-,23?/m0/s1	C25H27N3O3	417.5	6	2	74.43	5	7	0	-2.2018	3.15769	3.55	4.38	58.9195	122.0157	3.1766	382.106613262452
Cond-004375	NPD4439	NPD4439	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.264196055	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1c2c(oc(=O)c(C)c2C)cc(C)c1)C(=O)O	InChI=1S/C22H28N2O7/c1-6-12(3)20(21(27)28)24-17(25)9-23-18(26)10-30-15-7-11(2)8-16-19(15)13(4)14(5)22(29)31-16/h7-8,12,20H,6,9-10H2,1-5H3,(H,23,26)(H,24,25)(H,27,28)/t12-,20-/m1/s1	C22H28N2O7	432.467	9	3	131.03	2	11	1	-0.416	2.08949	2.89	2.093	84.1902	115.7532	3.2577	415.88864078213
Cond-004376	NPD444	NPD444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6132601911	O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C28H29N3O4/c32-26(19-35-23-10-5-2-6-11-23)29-24(15-20-8-3-1-4-9-20)28(34)30-16-21-14-22(18-30)25-12-7-13-27(33)31(25)17-21/h1-13,21-22,24H,14-19H2,(H,29,32)/t21-,22-,24-/m0/s1	C28H29N3O4	471.548	7	1	78.95	5	9	0	-2.4879	3.14056	3.77	4.765	81.1912	135.8907	3.572	448.411876439014
Cond-004377	NPD4440	NPD4440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.01240387	CC(C)[C@@H](NC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O)C(=O)NCCCCCC(=O)O	InChI=1S/C32H36N2O7/c1-19(2)30(31(38)33-15-9-5-8-12-29(36)37)34-28(35)14-13-22-20(3)23-16-24-25(21-10-6-4-7-11-21)18-40-26(24)17-27(23)41-32(22)39/h4,6-7,10-11,16-19,30H,5,8-9,12-15H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)/t30-/m1/s1	C32H36N2O7	560.637	9	3	134.94	4	15	2	-1.3406	6.25758000000001	3.99	5.523	88.395	161.1832	4.2775	531.789734835997
Cond-004378	NPD4441	NPD4441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.146117589	CCC(NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1C)C(=O)O	InChI=1S/C20H19NO6/c1-3-15(19(23)24)21-17(22)10-26-16-9-8-13-12-6-4-5-7-14(12)20(25)27-18(13)11(16)2/h4-9,15H,3,10H2,1-2H3,(H,21,22)(H,23,24)	C20H19NO6	369.368	7	2	101.93	3	7	0	-1.0734	3.3455	2.89	3.593	44.7688	104.1225	2.6658	335.616767220068
Cond-004379	NPD4442	NPD4442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.144232186	CCCCOc1ccc(cc1)N1COc2c(C1)cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C25H27NO4/c1-3-4-12-28-19-10-8-18(9-11-19)26-14-17-13-22-20-6-5-7-21(20)25(27)30-24(22)16(2)23(17)29-15-26/h8-11,13H,3-7,12,14-15H2,1-2H3	C25H27NO4	405.486	5	0	48	5	5	1	-0.326699999999999	6.40158000000001	3.66	5.132	63.831	121.248	3.0787	382.43977824748
Cond-004380	NPD4443	NPD4443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.197589409	[C@@H]1(N2C(SC1(C)C)c1c(cccc1)C2=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H](C)C(=O)O	InChI=1S/C22H29N3O5S/c1-6-11(2)15(17(26)23-12(3)21(29)30)24-18(27)16-22(4,5)31-20-14-10-8-7-9-13(14)19(28)25(16)20/h7-12,15-16,20H,6H2,1-5H3,(H,23,26)(H,24,27)(H,29,30)/t11?,12-,15+,16-,20?/m1/s1	C22H29N3O5S	447.548	8	3	141.11	3	9	0	-1.3506	2.04799	2.89	3.103	87.4955	119.9017	3.338	418.093971646775
Cond-004381	NPD4444	NPD4444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7000572838	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCCCC)c1ccccc1	InChI=1S/C30H28N4O3/c1-2-3-17-31-28(35)21-14-8-10-16-24(21)34-29(36)25-18-22-20-13-7-9-15-23(20)32-26(22)27(33(25)30(34)37)19-11-5-4-6-12-19/h4-16,25,27,32H,2-3,17-18H2,1H3,(H,31,35)/t25-,27?/m0/s1	C30H28N4O3	492.568	7	2	85.51	6	7	1	-2.4646	4.71458000000001	3.99	7.085	53.6458	145.2697	3.7003	445.781003095953
Cond-004382	NPD4445	NPD4445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6047733635	Cc1c(C)c2ccc(OCC(=O)N3CCC(CC3)C(=O)O)c(C)c2oc1=O	InChI=1S/C20H23NO6/c1-11-12(2)20(25)27-18-13(3)16(5-4-15(11)18)26-10-17(22)21-8-6-14(7-9-21)19(23)24/h4-5,14H,6-10H2,1-3H3,(H,23,24)	C20H23NO6	373.4	7	1	93.14	3	5	0	-0.0165000000000013	3.23649	2.89	1.636	70.3875	102.9888	2.7518	351.789684621669
Cond-004383	NPD4446	NPD4446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6857018097	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C18H33N3O4S/c1-11(2)15(18(24)25)21-16(22)13-6-4-12(5-7-13)10-20-17(23)14(19)8-9-26-3/h11-15H,4-10,19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15+/m0/s1	C18H33N3O4S	387.537	7	5	146.82	1	12	1	-1.0009	1.44869	2.56	-0.846	97.2956	107.0796	3.1049	386.278558647547
Cond-004384	NPD4447	NPD4447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.8874786429	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)N[C@@H](CCSC)C(=O)O)ccc12	InChI=1S/C23H23NO7S/c1-29-15-5-3-14(4-6-15)18-12-22(26)31-20-11-16(7-8-17(18)20)30-13-21(25)24-19(23(27)28)9-10-32-2/h3-8,11-12,19H,9-10,13H2,1-2H3,(H,24,25)(H,27,28)/t19-/m0/s1	C23H23NO7S	457.496	8	2	136.46	3	11	1	-0.948500000000001	3.29917	3	3.833	67.9096	124.4525	3.2677	412.16751315503
Cond-004385	NPD4448	NPD4448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.9776594171	COc1c2OCOc2cc2c1C(N(C)CC2)c1c(O)n(C)c(=O)n(c1=O)c1ccc(Cl)cc1	InChI=1S/C23H22ClN3O6/c1-25-9-8-12-10-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(28)26(2)23(30)27(22(17)29)14-6-4-13(24)5-7-14/h4-7,10,18,28H,8-9,11H2,1-3H3	C23H22ClN3O6	471.89	9	1	91.78	5	3	0	0.238400000000001	4.87686000000001	2.89	2.439	71.558	126.9508	3.1933	399.996391882835
Cond-004386	NPD4449	NPD4449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4713592585	CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](CC(=O)N)C(=O)O	InChI=1S/C27H31N5O7/c1-3-15(2)22(24(35)29-19(26(37)38)14-21(28)33)31-23(34)20(13-16-9-5-4-6-10-16)32-25(36)17-11-7-8-12-18(17)30-27(32)39/h4-12,15,19-20,22H,3,13-14H2,1-2H3,(H2,28,33)(H,29,35)(H,30,39)(H,31,34)(H,37,38)/t15?,19-,20+,22+/m1/s1	C27H31N5O7	537.564	12	6	191.49	3	14	2	-2.8196	1.40648	3.11	3.991	82.1914	145.0909	3.98100000000001	501.556551031964
Cond-004387	NPD445	NPD445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8023483366	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Oc1ccccc1	InChI=1S/C36H54O3/c1-5-6-7-8-9-11-14-27-18-20-32-31-19-17-28-25-30(21-23-36(28,4)33(31)22-24-35(27,32)3)39-34(37)26(2)38-29-15-12-10-13-16-29/h10,12-13,15-17,26-27,30-33H,5-9,11,14,18-25H2,1-4H3/t26?,27?,30-,31?,32?,33?,35+,36-/m0/s1	C36H54O3	534.812	3	0	35.53	5	12	2	-0.958300000000001	10.35617	5.09	13.931	122.174	164.632	4.5991	571.717998325685
Cond-004388	NPD4450	NPD4450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.4209040236	CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCSC)NC(=O)OCc3ccccc3)c(Cl)cc12	InChI=1S/C25H26ClNO6S/c1-3-7-17-12-23(28)32-21-14-22(19(26)13-18(17)21)33-24(29)20(10-11-34-2)27-25(30)31-15-16-8-5-4-6-9-16/h4-6,8-9,12-14,20H,3,7,10-11,15H2,1-2H3,(H,27,30)/t20-/m1/s1	C25H26ClNO6S	503.995	7	1	116.23	3	13	2	0.740299999999999	5.60847	3.22	7.211	78.8399	135.6427	3.6132	453.180323476636
Cond-004389	NPD4451	NPD4451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.701087489	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(C2)c1cc2c(OCCO2)cc1	InChI=1S/C24H19NO5/c1-14-22-15(10-19-17-4-2-3-5-18(17)24(26)30-23(14)19)12-25(13-29-22)16-6-7-20-21(11-16)28-9-8-27-20/h2-7,10-11H,8-9,12-13H2,1H3	C24H19NO5	401.411	6	0	57.23	6	1	0	0.1421	5.80338	3.44	4.858	37.9196	119.609	2.8019	345.404644219774
Cond-004390	NPD4452	NPD4452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.216377764	Cc1cc(=O)oc2cc(OCC(=O)Nc3cc4c(OCCO4)cc3)ccc12	InChI=1S/C20H17NO6/c1-12-8-20(23)27-17-10-14(3-4-15(12)17)26-11-19(22)21-13-2-5-16-18(9-13)25-7-6-24-16/h2-5,8-10H,6-7,11H2,1H3,(H,21,22)	C20H17NO6	367.352	7	1	83.09	4	5	0	-0.5593	4.45045	2.89	2.519	47.1024	103.8307	2.5572	323.260308519268
Cond-004391	NPD4453	NPD4453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1674638789	COc1cccc(/C=C/2\Oc3cc(OCC(=O)C)ccc3C2=O)c1OC	InChI=1S/C20H18O6/c1-12(21)11-25-14-7-8-15-17(10-14)26-18(19(15)22)9-13-5-4-6-16(23-2)20(13)24-3/h4-10H,11H2,1-3H3/b18-9-	C20H18O6	354.353	6	0	71.06	3	6	0	-1.1103	3.57427	3	3.104	48.1945	99.12	2.566	324.620007011902
Cond-004392	NPD4454	NPD4454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.312697103	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCC(CC)CCCC)c1ccc(OC)cc1	InChI=1S/C35H38N4O4/c1-4-6-11-22(5-2)21-36-33(40)26-13-8-10-15-29(26)39-34(41)30-20-27-25-12-7-9-14-28(25)37-31(27)32(38(30)35(39)42)23-16-18-24(43-3)19-17-23/h7-10,12-19,22,30,32,37H,4-6,11,20-21H2,1-3H3,(H,36,40)/t22?,30-,32?/m0/s1	C35H38N4O4	578.701	8	2	94.74	6	11	2	-2.8036	6.13948000000001	4.43	8.012	77.0265	170.2197	4.4635	541.051152925847
Cond-004393	NPD4455	NPD4455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5640622698	CCCCc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C28H27NO3/c1-3-4-8-20-11-13-23(14-12-20)29-17-22-15-25-24(21-9-6-5-7-10-21)16-26(30)32-28(25)19(2)27(22)31-18-29/h5-7,9-16H,3-4,8,17-18H2,1-2H3	C28H27NO3	425.519	4	0	38.77	5	5	1	0.130299999999999	7.05948000000001	4.1	9.435	50.8677	132.207	3.3137	406.728129322119
Cond-004394	NPD4456	NPD4456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.623145401	COc1cc(c(OC)cc1)c1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O	InChI=1S/C21H21NO6/c1-12-15-8-6-14(27-21(24)22(2)3)11-18(15)28-20(23)19(12)16-10-13(25-4)7-9-17(16)26-5/h6-11H,1-5H3	C21H21NO6	383.395	7	0	74.3	3	6	0	0.644500000000001	4.05697	3	3.522	54.49	107.272	2.8067	352.912751845935
Cond-004395	NPD4457	NPD4457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.9679629307	[C@@H]12CCCN1[C@@]1(C(=O)Nc3c1cc(C)cc3Cl)[C@@H]1C(=O)N(C(=O)[C@H]21)c1c(cccc1)C(=O)OC	InChI=1S/C25H22ClN3O5/c1-12-10-14-20(15(26)11-12)27-24(33)25(14)19-18(17-8-5-9-28(17)25)21(30)29(22(19)31)16-7-4-3-6-13(16)23(32)34-2/h3-4,6-7,10-11,17-19H,5,8-9H2,1-2H3,(H,27,33)/t17-,18+,19-,25+/m0/s1	C25H22ClN3O5	479.912	8	1	96.02	6	3	0	-1.1715	2.86791	3.22	2.391	69.3081	125.1347	3.2648	410.805217032408
Cond-004396	NPD4458	NPD4458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3751880064	[C@@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)N(C2=O)c1c(cccc1)C(=O)NCc1ccccc1)c1ccc(OC)cc1	InChI=1S/C34H28N4O4/c1-42-23-17-15-22(16-18-23)31-30-26(24-11-5-7-13-27(24)36-30)19-29-33(40)38(34(41)37(29)31)28-14-8-6-12-25(28)32(39)35-20-21-9-3-2-4-10-21/h2-18,29,31,36H,19-20H2,1H3,(H,35,39)/t29-,31?/m0/s1	C34H28N4O4	556.611	8	2	94.74	7	7	1	-1.9917	4.78378000000001	4.32	7.566	49.2397	161.4367	4.08500000000001	492.589333496781
Cond-004397	NPD4459	NPD4459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2724203366	C[C@@]12CN3C[C@@](CN(C1)C3c1c[nH]c3c1cccc3)(C2=O)c1ccccc1	InChI=1S/C23H23N3O/c1-22-12-25-14-23(21(22)27,16-7-3-2-4-8-16)15-26(13-22)20(25)18-11-24-19-10-6-5-9-17(18)19/h2-11,20,24H,12-15H2,1H3/t20?,22-,23+	C23H23N3O	357.448	4	1	39.34	3	2	0	-0.576799999999999	3.19549	3.55	4.073	47.2114	109.624	2.7118	320.214190609597
Cond-004398	NPD4460	NPD4460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.459818614	COc1cccc(c1)C(=O)Oc1ccc2cc(c(=O)oc2c1)c1ccc(OC)c(OC)c1	InChI=1S/C25H20O7/c1-28-18-6-4-5-17(11-18)24(26)31-19-9-7-16-12-20(25(27)32-22(16)14-19)15-8-10-21(29-2)23(13-15)30-3/h4-14H,1-3H3	C25H20O7	432.422	7	0	80.29	4	7	1	-0.0653999999999997	5.06956	3.44	5.347	43.6293	122.736	3.0916	388.724322038596
Cond-004399	NPD4462	NPD4462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5719590301	CC(C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C23H26N2O7/c1-10(2)21(22(28)29)25-20(27)9-24-19(26)7-16-12(4)15-6-14-11(3)13(5)31-17(14)8-18(15)32-23(16)30/h6,8,10,21H,7,9H2,1-5H3,(H,24,26)(H,25,27)(H,28,29)/t21-/m0/s1	C23H26N2O7	442.462	9	3	134.94	3	9	0	0.2943	2.44581	3	1.712	81.33	120.4252	3.247	407.291708006397
Cond-004400	NPD4463	NPD4463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.3594667592	COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C	InChI=1S/C20H23NO6/c1-11-13-6-8-16(26-3)12(2)18(13)27-20(25)14(11)7-9-17(22)21-10-4-5-15(21)19(23)24/h6,8,15H,4-5,7,9-10H2,1-3H3,(H,23,24)/t15-/m0/s1	C20H23NO6	373.4	7	1	93.14	3	6	0	-0.2812	3.37899	2.89	1.699	70.4237	103.0368	2.7518	351.789684621669
Cond-004401	NPD4464	NPD4464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.116820356	[C@@H]12C(CCC(=O)N)NC3(C(=O)Nc4c3cccc4C)[C@@H]1C(=O)N(CCc1cc(OC)c(OC)cc1)C2=O	InChI=1S/C27H30N4O6/c1-14-5-4-6-16-23(14)29-26(35)27(16)22-21(17(30-27)8-10-20(28)32)24(33)31(25(22)34)12-11-15-7-9-18(36-2)19(13-15)37-3/h4-7,9,13,17,21-22,30H,8,10-12H2,1-3H3,(H2,28,32)(H,29,35)/t17?,21-,22+,27?/m1/s1	C27H30N4O6	506.55	10	4	140.06	5	8	0	-2.5206	1.50801	3.33	0.793	80.2686	135.6658	3.6913	462.329564123236
Cond-004402	NPD4465	NPD4465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.7177662996	COc1ccc(cc1)C1CN2C(=O)CN(Cc3ccccc3OC)C(=O)[C@]2(C)c2c1c1ccccc1[nH]2	InChI=1S/C30H29N3O4/c1-30-28-27(22-9-5-6-10-24(22)31-28)23(19-12-14-21(36-2)15-13-19)17-33(30)26(34)18-32(29(30)35)16-20-8-4-7-11-25(20)37-3/h4-15,23,31H,16-18H2,1-3H3/t23?,30-/m0/s1	C30H29N3O4	495.569	7	1	74.87	6	5	0	-1.8519	4.48689000000001	3.99	4.739	58.4094	145.46	3.7022	446.210928289147
Cond-004403	NPD4466	NPD4466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.463656661	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(=O)O)c(C)c1c2	InChI=1S/C30H32N2O7/c1-16-19(4)38-27-18(3)28-23(15-22(16)27)17(2)21(30(37)39-28)10-11-25(33)32-24(14-20-8-6-5-7-9-20)29(36)31-13-12-26(34)35/h5-9,15,24H,10-14H2,1-4H3,(H,31,36)(H,32,33)(H,34,35)/t24-/m1/s1	C30H32N2O7	532.584	9	3	134.94	4	12	1	0.736399999999999	4.02344000000001	3.77	4.761	86.9945	149.6692	3.9957	497.197765584264
Cond-004404	NPD4467	NPD4467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9970808602	CCOC(=O)c1ccc(Oc2coc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1	InChI=1S/C26H22O7/c1-3-30-26(28)18-7-9-19(10-8-18)33-24-16-32-23-14-21(11-12-22(23)25(24)27)31-15-17-5-4-6-20(13-17)29-2/h4-14,16H,3,15H2,1-2H3	C26H22O7	446.449	7	0	80.29	4	9	1	-1.0047	5.00227	3.55	6.047	47.4015	123.8925	3.2325	406.020306664463
Cond-004405	NPD4469	NPD4469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9208453598	CC(C)C1N(C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)O)c2ccccc2)c2ccccc2N=C1O	InChI=1S/C29H30N4O5/c1-18(2)25-27(35)30-21-15-9-10-16-23(21)33(25)29(38)31-22(17-19-11-5-3-6-12-19)26(34)32-24(28(36)37)20-13-7-4-8-14-20/h3-16,18,22,24-25H,17H2,1-2H3,(H,30,35)(H,31,38)(H,32,34)(H,36,37)	C29H30N4O5	514.572	9	4	131.33	4	11	2	-1.4199	4.69977000000001	3.66	7.656	62.1814	148.402	3.89400000000001	481.678389272808
Cond-004406	NPD447	NPD447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	24.1217853698	COc1cc(/C=C/C(=O)c2c(c3ccccc3)c3c([nH]c2=O)ccc(Br)c3)ccc1	InChI=1S/C25H18BrNO3/c1-30-19-9-5-6-16(14-19)10-13-22(28)24-23(17-7-3-2-4-8-17)20-15-18(26)11-12-21(20)27-25(24)29/h2-15H,1H3,(H,27,29)/b13-10+	C25H18BrNO3	460.319	4	1	55.4	4	5	1	0.3761	5.96276	3.66	8.297	46.8243	123.6327	3.0886	381.207335721285
Cond-004407	NPD4470	NPD4470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4478649454	COC(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C21H14N2O4/c1-26-18(24)11-27-12-6-7-17-16(10-12)14-8-9-22-19-13-4-2-3-5-15(13)21(25)23(17)20(14)19/h2-10H,11H2,1H3	C21H14N2O4	358.347	6	0	70.42	5	4	0	-0.9795	5.00366	3.11	3.635	25.611	108.1845	2.4859	294.543223849779
Cond-004408	NPD4471	NPD4471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.2151993046	COc1cc(NC(=O)COc2cc3c(C(=O)CC(C)(C)O3)c(O)c2)cc(OC)c1	InChI=1S/C21H23NO7/c1-21(2)10-17(24)20-16(23)8-15(9-18(20)29-21)28-11-19(25)22-12-5-13(26-3)7-14(6-12)27-4/h5-9,23H,10-11H2,1-4H3,(H,22,25)	C21H23NO7	401.41	8	2	103.32	3	7	0	-1.3436	4.87606	2.89	1.56	56.1011	113.3982	2.9084	364.339437247296
Cond-004409	NPD4472	NPD4472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5134766955	COc1cccc(OC)c1OCCCCCCN1CCCCC1c1cnccc1	InChI=1S/C24H34N2O3/c1-27-22-13-9-14-23(28-2)24(22)29-18-8-4-3-6-16-26-17-7-5-12-21(26)20-11-10-15-25-19-20/h9-11,13-15,19,21H,3-8,12,16-18H2,1-2H3	C24H34N2O3	398.538	5	0	43.82	3	11	1	-2.2761	5.42489000000001	3.55	4.529	57.0644	117.194	3.2821	397.336161932419
Cond-004410	NPD4473	NPD4473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0671315621	CCCCc1ccc(cc1)N1COc2ccc3c(CCCC)cc(=O)oc3c2C1	InChI=1S/C25H29NO3/c1-3-5-7-18-9-11-20(12-10-18)26-16-22-23(28-17-26)14-13-21-19(8-6-4-2)15-24(27)29-25(21)22/h9-15H,3-8,16-17H2,1-2H3	C25H29NO3	391.503	4	0	38.77	4	7	1	-0.974000000000001	7.17336000000001	3.77	7.757	61.9529	122.548	3.1286	386.006010247719
Cond-004411	NPD4476	NPD4476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.755186722	Cc1c(CC(=O)N2CC3(C)CC2CC(C)(C)C3)c(=O)oc2c(O)c(O)ccc12	InChI=1S/C22H27NO5/c1-12-14-5-6-16(24)18(26)19(14)28-20(27)15(12)7-17(25)23-11-22(4)9-13(23)8-21(2,3)10-22/h5-6,13,24,26H,7-11H2,1-4H3	C22H27NO5	385.453	6	2	87.07	4	3	0	0.8355	4.15957000000001	3.22	3.164	80.9813	108.0996	2.9093	367.871427172841
Cond-004412	NPD4477	NPD4477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.186406596	COc1ccc2c(oc(=O)c(CC(=O)Nc3c(cccc3)C(=O)N)c2C)c1	InChI=1S/C20H18N2O5/c1-11-13-8-7-12(26-2)9-17(13)27-20(25)15(11)10-18(23)22-16-6-4-3-5-14(16)19(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,23)	C20H18N2O5	366.367	7	3	107.72	3	6	0	-0.659100000000001	3.66746	2.89	2.766	46.4202	103.9146	2.6639	335.186842026874
Cond-004413	NPD4478	NPD4478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8739191635	C[C@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C20H21NO6/c1-8-6-14-17(18-16(8)9(2)12(5)26-18)10(3)13(20(25)27-14)7-15(22)21-11(4)19(23)24/h6,11H,7H2,1-5H3,(H,21,22)(H,23,24)/t11-/m0/s1	C20H21NO6	371.384	7	2	105.84	3	5	0	1.2513	2.72153	2.89	2.208	66.4595	101.8915	2.7088	338.253225920868
Cond-004414	NPD4479	NPD4479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.5445544554	CC(n1c(O)nc2ccccc2c1=O)C(=O)NC(C(=O)O)c1ccccc1	InChI=1S/C19H17N3O5/c1-11(16(23)21-15(18(25)26)12-7-3-2-4-8-12)22-17(24)13-9-5-6-10-14(13)20-19(22)27/h2-11,15H,1H3,(H,20,27)(H,21,23)(H,25,26)	C19H17N3O5	367.355	8	3	119.3	3	6	0	-1.3355	1.80898	2.67	3.9	43.1241	100.0388	2.6228	328.887617609174
Cond-004415	NPD448	NPD448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.879744006	CCCCCCOc1ccc(OC2OC(CI)C(O)C(O)C2O)cc1	InChI=1S/C18H27IO6/c1-2-3-4-5-10-23-12-6-8-13(9-7-12)24-18-17(22)16(21)15(20)14(11-19)25-18/h6-9,14-18,20-22H,2-5,10-11H2,1H3	C18H27IO6	466.308	6	3	88.38	2	9	0	-1.57	2.76789	2.67	4.352	70.2359	104.3364	2.909	354.380050336034
Cond-004416	NPD4480	NPD4480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4797398823	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(O)c(CN4CCOCC4)c31)c2=O	InChI=1S/C25H23N3O5/c1-31-19-6-3-14-21(24(19)32-2)25(30)28-17-4-5-18(29)16(13-27-9-11-33-12-10-27)20(17)15-7-8-26-22(14)23(15)28/h3-8,29H,9-13H2,1-2H3	C25H23N3O5	445.467	8	1	86.05	6	4	0	-1.2816	3.51599	3.33	1.245	52.7158	129.103	3.1424	373.794149261974
Cond-004417	NPD4481	NPD4481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1166025084	O=C(NCCc1c[nH]c2c1cccc2)C1C2OC3(CN(Cc4ccncc4)C(=O)C13)C=C2	InChI=1S/C25H24N4O3/c30-23(27-12-8-17-13-28-19-4-2-1-3-18(17)19)21-20-5-9-25(32-20)15-29(24(31)22(21)25)14-16-6-10-26-11-7-16/h1-7,9-11,13,20-22,28H,8,12,14-15H2,(H,27,30)	C25H24N4O3	428.483	7	2	87.32	6	7	0	-1.7106	1.94767	3.44	1.591	61.6532	122.0807	3.1248	378.110456069019
Cond-004418	NPD4482	NPD4482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9346411624	CC(C)[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N1CCC[C@@H]1C(=O)O	InChI=1S/C19H24N4O5/c1-11(2)16(17(25)22-9-5-8-14(22)18(26)27)21-19(28)23-10-15(24)20-12-6-3-4-7-13(12)23/h3-4,6-7,11,14,16H,5,8-10H2,1-2H3,(H,20,24)(H,21,28)(H,26,27)/t14-,16+/m1/s1	C19H24N4O5	388.418	9	3	124.76	3	7	0	-2.0914	0.886960000000001	2.56	1.605	69.0906	101.8843	2.8516	347.793753919741
Cond-004419	NPD4483	NPD4483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4491360398	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCC3CCCO3)ccc12	InChI=1S/C23H23NO6/c1-27-16-6-4-15(5-7-16)20-12-23(26)30-21-11-17(8-9-19(20)21)29-14-22(25)24-13-18-3-2-10-28-18/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,24,25)	C23H23NO6	409.432	7	1	83.09	4	8	0	-1.7254	3.27187	3.22	3.307	56.5181	113.8707	2.9799	375.148262396869
Cond-004420	NPD4484	NPD4484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.239289706	[C@H]12CCCCN1C[C@@H]1C[C@@H]2C=C2CCCN([C@@H]12)S(=O)(=O)c1ccc(OC)cc1	InChI=1S/C22H30N2O3S/c1-27-19-7-9-20(10-8-19)28(25,26)24-12-4-5-16-13-17-14-18(22(16)24)15-23-11-3-2-6-21(17)23/h7-10,13,17-18,21-22H,2-6,11-12,14-15H2,1H3/t17-,18-,21+,22+/m0/s1	C22H30N2O3S	402.55	5	0	58.23	5	3	0	-2.4083	3.71898000000001	3.22	2.549	78.3691	104.226	3.0326	372.713216738286
Cond-004421	NPD4486	NPD4486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8679245283	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)Nc4ccc5OCOc5c4)cc31)c2=O	InChI=1S/C29H21N3O7/c1-35-22-8-5-18-25(28(22)36-2)29(34)32-20-6-4-16(12-19(20)17-9-10-30-26(18)27(17)32)37-13-24(33)31-15-3-7-21-23(11-15)39-14-38-21/h3-12H,13-14H2,1-2H3,(H,31,33)	C29H21N3O7	523.493	10	1	110.14	7	7	0	-2.0318	5.73947	3.55	3.165	43.1678	148.4067	3.5428	426.756247662563
Cond-004422	NPD4487	NPD4487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8748292562	COc1cc2c([nH]cc2CCNC(=O)Cc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C26H24N2O5/c1-14-13-32-23-11-24-19(9-18(14)23)15(2)20(26(30)33-24)10-25(29)27-7-6-16-12-28-22-5-4-17(31-3)8-21(16)22/h4-5,8-9,11-13,28H,6-7,10H2,1-3H3,(H,27,29)	C26H24N2O5	444.479	7	2	93.56	5	7	0	0.310399999999999	4.86748	3.55	3.112	58.5639	129.9797	3.2491	389.813373679674
Cond-004423	NPD4488	NPD4488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.2522041475	COc1ccc(cc1)C1N(CCc2cc(OC)c(OC)cc12)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C24H30N2O6/c1-14(2)21(23(27)28)25-24(29)26-11-10-16-12-19(31-4)20(32-5)13-18(16)22(26)15-6-8-17(30-3)9-7-15/h6-9,12-14,21-22H,10-11H2,1-5H3,(H,25,29)(H,27,28)/t21-,22?/m0/s1	C24H30N2O6	442.505	8	2	97.33	3	9	0	-0.3903	3.35479	3.22	3.147	69.2618	121.1245	3.3722	418.433924632503
Cond-004424	NPD4489	NPD4489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.10597225	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)Nc3ccccn3)c12	InChI=1S/C22H22N2O5/c1-13-10-19(26)28-21-14-7-8-22(2,3)29-15(14)11-16(20(13)21)27-12-18(25)24-17-6-4-5-9-23-17/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,24,25)	C22H22N2O5	394.42	7	1	86.75	4	5	0	0.483699999999999	5.17785	3.11	3.349	59.1441	113.6637	2.8801	360.058811278607
Cond-004425	NPD449	NPD449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8445944282	O=C(COc1cc2c(cc1)c(cc(=O)o2)c1ccccc1)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C32H20O7/c33-30-17-26(20-7-3-1-4-8-20)24-13-11-22(15-28(24)38-30)36-19-32(35)37-23-12-14-25-27(21-9-5-2-6-10-21)18-31(34)39-29(25)16-23/h1-18H,19H2	C32H20O7	516.497	7	0	88.13	6	7	1	-0.2982	6.24245000000001	4.21	10.245	43.103	147.567	3.64570000000001	461.001003514063
Cond-004426	NPD4490	NPD4490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2883093835	[C@H](Cc1ccccc1)(NCc1c(O)ccc2c1oc(C)c(Oc1ccccc1)c2=O)C(=O)O	InChI=1S/C26H23NO6/c1-16-24(33-18-10-6-3-7-11-18)23(29)19-12-13-22(28)20(25(19)32-16)15-27-21(26(30)31)14-17-8-4-2-5-9-17/h2-13,21,27-28H,14-15H2,1H3,(H,30,31)/t21-/m1/s1	C26H23NO6	445.464	7	3	105.09	4	8	1	-1.7619	5.31076	3.55	7.068	49.275	130.269	3.27360000000001	408.226840172069
Cond-004427	NPD4491	NPD4491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2221532348	Cc1coc2c1cc1c(oc(=O)c(CC(=O)Nc3nc4c([nH]3)cccc4)c1C)c2	InChI=1S/C22H17N3O4/c1-11-10-28-18-9-19-14(7-13(11)18)12(2)15(21(27)29-19)8-20(26)25-22-23-16-5-3-4-6-17(16)24-22/h3-7,9-10H,8H2,1-2H3,(H2,23,24,25,26)	C22H17N3O4	387.388	7	2	97.22	5	4	0	0.0950000000000001	5.13377	3.11	3.633	42.0841	113.3817	2.7266	322.835968683813
Cond-004428	NPD4492	NPD4492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7277297406	CC1(C)CCc2c3oc(=O)c4c(CCCC4)c3c(OCC(=O)NCCC(=O)O)cc2O1	InChI=1S/C23H27NO7/c1-23(2)9-7-15-16(31-23)11-17(29-12-18(25)24-10-8-19(26)27)20-13-5-3-4-6-14(13)22(28)30-21(15)20/h11H,3-10,12H2,1-2H3,(H,24,25)(H,26,27)	C23H27NO7	429.463	8	2	111.16	4	7	0	-0.891799999999999	4.24197000000001	3.11	2.222	84.5317	118.6155	3.1246	400.11140649903
Cond-004429	NPD4493	NPD4493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3338756193	COc1ccc2c(oc(=O)c(CCC(=O)NCCc3c[nH]c4ccccc34)c2C)c1	InChI=1S/C24H24N2O4/c1-15-18-8-7-17(29-2)13-22(18)30-24(28)19(15)9-10-23(27)25-12-11-16-14-26-21-6-4-3-5-20(16)21/h3-8,13-14,26H,9-12H2,1-2H3,(H,25,27)	C24H24N2O4	404.458	6	2	80.42	4	8	0	-0.1151	4.48336000000001	3.44	3.741	56.3081	121.1847	3.0602	372.32409512898
Cond-004430	NPD4494	NPD4494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.4416658558	COc1cc2c(cc1OC)c1cc(NCCCN(C)C)nc(=O)n1CC2	InChI=1S/C19H26N4O3/c1-22(2)8-5-7-20-18-12-15-14-11-17(26-4)16(25-3)10-13(14)6-9-23(15)19(24)21-18/h10-12H,5-9H2,1-4H3,(H,20,21,24)	C19H26N4O3	358.435	7	1	66.4	3	7	0	-1.2083	1.28917	2.78	1.163	75.9354	104.5447	2.7772	343.749759219419
Cond-004431	NPD4495	NPD4495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.827281915	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(C)C(=O)NCCCN(C)C)ccc12	InChI=1S/C25H30N2O5/c1-16-22(31-17(2)25(29)26-13-6-14-27(3)4)12-11-20-21(15-23(28)32-24(16)20)18-7-9-19(30-5)10-8-18/h7-12,15,17H,6,13-14H2,1-5H3,(H,26,29)	C25H30N2O5	438.516	7	1	77.1	3	10	0	-0.2771	4.01659000000001	3.44	3.803	73.0425	128.6297	3.4114	424.303223857008
Cond-004432	NPD4496	NPD4496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1498879228	CSCC[C@@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)NCC(C)C	InChI=1S/C26H34N2O5S/c1-13(2)12-27-25(30)19(8-9-34-7)28-21(29)11-18-16(5)23-20(33-26(18)31)10-14(3)22-15(4)17(6)32-24(22)23/h10,13,19H,8-9,11-12H2,1-7H3,(H,27,30)(H,28,29)/t19-/m1/s1	C26H34N2O5S	486.624	7	2	122.94	3	11	1	1.806	4.14233	3.44	4.047	100.877	139.4284	3.7588	462.744691241275
Cond-004433	NPD4497	NPD4497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.868917577	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCCN4CCCC4=O)cc31)c2=O	InChI=1S/C29H28N4O6/c1-37-22-9-7-19-25(28(22)38-2)29(36)33-21-8-6-17(15-20(21)18-10-12-31-26(19)27(18)33)39-16-23(34)30-11-4-14-32-13-3-5-24(32)35/h6-10,12,15H,3-5,11,13-14,16H2,1-2H3,(H,30,34)	C29H28N4O6	528.556	10	1	111.99	6	10	0	-2.8703	3.39989	3.55	1.772	67.6462	148.3487	3.7785	457.492157272569
Cond-004434	NPD4498	NPD4498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0282235204	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12	InChI=1S/C23H19NO6/c1-27-16-6-4-15(5-7-16)20-12-23(26)30-21-11-17(8-9-19(20)21)29-14-22(25)24-13-18-3-2-10-28-18/h2-12H,13-14H2,1H3,(H,24,25)	C23H19NO6	405.4	7	1	87	4	8	0	-1.1106	3.52737	3.22	3.836	42.5848	114.1147	2.8939	358.975344995269
Cond-004435	NPD4499	NPD4499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.7209533267	Fc1cc(NC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)ccc1	InChI=1S/C26H16FN3O3/c27-15-4-3-5-16(12-15)29-23(31)14-33-17-8-9-22-21(13-17)19-10-11-28-24-18-6-1-2-7-20(18)26(32)30(22)25(19)24/h1-13H,14H2,(H,29,31)	C26H16FN3O3	437.422	6	1	73.22	6	5	1	-1.1458	7.20855	3.55	5.395	21.9366	131.4412	3.01160000000001	358.131404533825
Cond-004436	NPD450	NPD450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.0892387148	CCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC(=C(C)C45)CCC(C)CNC(=O)C)C3CC=C2C1	InChI=1S/C33H51NO4/c1-7-8-30(36)37-24-13-15-32(5)23(17-24)10-11-25-26(32)14-16-33(6)27(25)18-29-31(33)21(3)28(38-29)12-9-20(2)19-34-22(4)35/h10,20,24-27,29,31H,7-9,11-19H2,1-6H3,(H,34,35)/t20?,24?,25?,26?,27?,29?,31?,32-,33-/m0/s1	C33H51NO4	525.762	5	1	64.63	5	10	1	0.734600000000003	7.19867000000001	4.54	6.824	147.3602	152.7217	4.3779	553.153490057613
Cond-004437	NPD4500	NPD4500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9822458944	[C@@H]12CCCCN1CCC[C@@H]2COC(=O)[C@@]12CC3CC(CC(Cl)(C3)C1)C2	InChI=1S/C21H32ClNO2/c22-21-11-15-8-16(12-21)10-20(9-15,14-21)19(24)25-13-17-4-3-7-23-6-2-1-5-18(17)23/h15-18H,1-14H2/t15?,16?,17-,18+,20-,21?/m1/s1	C21H32ClNO2	365.937	3	0	29.54	2	4	0	-0.6678	4.60579	3.33	4.015	90.6299	101.837	2.8211	351.141665018924
Cond-004438	NPD4501	NPD4501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5802806408	CC(=C)COc1ccc2c(oc(=O)c(CC(=O)NCCCN3CCCC3=O)c2C)c1	InChI=1S/C23H28N2O5/c1-15(2)14-29-17-7-8-18-16(3)19(23(28)30-20(18)12-17)13-21(26)24-9-5-11-25-10-4-6-22(25)27/h7-8,12H,1,4-6,9-11,13-14H2,2-3H3,(H,24,26)	C23H28N2O5	412.479	7	1	84.94	3	10	0	-0.102299999999999	3.33096	3.22	1.729	84.3739	117.0097	3.1726	403.247713306075
Cond-004439	NPD4502	NPD4502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.6119344003	Cc1c(CCC(=O)N2CC3(C)CC2CC(C)(C)C3)c(=O)oc2cc(O)ccc12	InChI=1S/C23H29NO4/c1-14-17-6-5-16(25)9-19(17)28-21(27)18(14)7-8-20(26)24-13-23(4)11-15(24)10-22(2,3)12-23/h5-6,9,15,25H,7-8,10-13H2,1-4H3	C23H29NO4	383.481	5	1	66.84	4	4	0	1.3582	4.84407000000001	3.44	3.867	83.2821	111.0518	2.9915	376.377185098147
Cond-004440	NPD4503	NPD4503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.4707050645	O=c1n2c3ccc(OC/C=C/c4ccccc4)cc3c3c2c(ncc3)c2c1cccc2	InChI=1S/C27H18N2O2/c30-27-22-11-5-4-10-20(22)25-26-21(14-15-28-25)23-17-19(12-13-24(23)29(26)27)31-16-6-9-18-7-2-1-3-8-18/h1-15,17H,16H2/b9-6+	C27H18N2O2	402.444	4	0	44.12	6	4	1	-0.3095	5.78468	3.99	8.239	24.0914	126.218	2.97630000000001	349.572843400658
Cond-004441	NPD4504	NPD4504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9410140748	COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCCc3cc(OC)c(OC)cc3)C2=O)cc1	InChI=1S/C25H31N3O6/c1-32-19-7-4-17(5-8-19)13-15-28-24(30)20(27-25(28)31)9-11-23(29)26-14-12-18-6-10-21(33-2)22(16-18)34-3/h4-8,10,16,20H,9,11-15H2,1-3H3,(H,26,29)(H,27,31)/t20-/m0/s1	C25H31N3O6	469.53	9	2	106.2	3	13	1	-1.4173	1.91239	3.22	2.978	73.3846	129.0784	3.5699	444.090210765736
Cond-004442	NPD4505	NPD4505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.62959285	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)N4CCN(CC4)c4ccccc4)cc31)c2=O	InChI=1S/C33H30N4O5/c1-20(32(38)36-17-15-35(16-18-36)21-7-5-4-6-8-21)42-22-9-11-26-25(19-22)23-13-14-34-29-24-10-12-27(40-2)31(41-3)28(24)33(39)37(26)30(23)29/h4-14,19-20H,15-18H2,1-3H3	C33H30N4O5	562.615	9	0	86.13	7	7	0	-1.5735	5.53558000000001	4.1	4.648	62.102	165.162	4.0888	489.356492973075
Cond-004443	NPD4506	NPD4506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	66.3555114201	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)NCCCc1ccccc1	InChI=1S/C29H23N3O3/c33-26(30-15-6-9-19-7-2-1-3-8-19)18-35-20-12-13-25-24(17-20)22-14-16-31-27-21-10-4-5-11-23(21)29(34)32(25)28(22)27/h1-5,7-8,10-14,16-17H,6,9,15,18H2,(H,30,33)	C29H23N3O3	461.511	6	1	73.22	6	8	1	-1.8395	6.57966	3.99	7.361	33.5533	143.9412	3.4166	403.951799561119
Cond-004444	NPD4507	NPD4507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6657952946	CSCC[C@H](NC(=O)COc1c2c(C)c(C)c(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C23H29NO7S/c1-12-13(2)22(28)30-20-14-6-8-23(3,4)31-16(14)10-17(19(12)20)29-11-18(25)24-15(21(26)27)7-9-32-5/h10,15H,6-9,11H2,1-5H3,(H,24,25)(H,26,27)/t15-/m0/s1	C23H29NO7S	463.544	8	2	136.46	3	9	0	1.0564	4.25666	3	2.973	95.1573	127.7365	3.3967	430.97688925743
Cond-004445	NPD4508	NPD4508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5639487521	COc1ccc(NC(=O)Cc2c(C)c3cc4c(occ4C)cc3oc2=O)c(OC)c1	InChI=1S/C23H21NO6/c1-12-11-29-19-10-20-16(8-15(12)19)13(2)17(23(26)30-20)9-22(25)24-18-6-5-14(27-3)7-21(18)28-4/h5-8,10-11H,9H2,1-4H3,(H,24,25)	C23H21NO6	407.416	7	1	87	4	6	0	0.411799999999999	5.35138	3.22	2.924	53.4157	115.3607	2.9369	361.611803696069
Cond-004446	NPD4509	NPD4509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5865479723	O=C1CC(C=C2N1CCc1cc3c(OCO3)cc21)c1cc2c(OCO2)cc1	InChI=1S/C21H17NO5/c23-21-8-14(12-1-2-17-18(6-12)25-10-24-17)5-16-15-9-20-19(26-11-27-20)7-13(15)3-4-22(16)21/h1-2,5-7,9,14H,3-4,8,10-11H2	C21H17NO5	363.363	6	0	57.23	6	1	0	-0.9515	4.10986	3.11	2.477	49.3181	102.185	2.4652	309.689607743774
Cond-004447	NPD451	NPD451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6913503423	CCCCOC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C22H22O6/c1-3-4-12-25-20(23)14-26-17-10-11-18-19(13-17)27-15(2)22(21(18)24)28-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3	C22H22O6	382.406	6	0	71.06	3	9	1	-1.5184	5.95675	3.22	5.735	52.1976	111.6885	2.8478	359.211976263635
Cond-004448	NPD4510	NPD4510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9719526879	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1	InChI=1S/C33H28N4O6/c1-40-26-10-8-21-28(31(26)41-2)33(39)37-24-6-4-3-5-20(24)22-16-23(34-29(21)30(22)37)32(38)36-13-11-35(12-14-36)17-19-7-9-25-27(15-19)43-18-42-25/h3-10,15-16H,11-14,17-18H2,1-2H3	C33H28N4O6	576.599	10	0	95.36	8	6	0	-1.6047	5.55076000000001	3.99	3.791	63.4457	166.5455	4.0389	485.790260972836
Cond-004449	NPD4511	NPD4511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.957677044	Cc1coc2c1cc1c(C)c(CCC(=O)NCCCN3CCOCC3)c(=O)oc1c2C	InChI=1S/C24H30N2O5/c1-15-14-30-22-17(3)23-20(13-19(15)22)16(2)18(24(28)31-23)5-6-21(27)25-7-4-8-26-9-11-29-12-10-26/h13-14H,4-12H2,1-3H3,(H,25,27)	C24H30N2O5	426.505	7	1	81.01	4	8	0	0.860499999999997	3.35201	3.33	1.572	84.8535	120.0847	3.2479	399.923697931941
Cond-004450	NPD4512	NPD4512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1578947368	Fc1c(CNC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)c(Cl)ccc1	InChI=1S/C27H17ClFN3O3/c28-21-6-3-7-22(29)20(21)13-31-24(33)14-35-15-8-9-23-19(12-15)17-10-11-30-25-16-4-1-2-5-18(16)27(34)32(23)26(17)25/h1-12H,13-14H2,(H,31,33)	C27H17ClFN3O3	485.894	6	1	73.22	6	6	1	-0.3899	6.60006	3.55	5.434	32.2644	138.6692	3.27490000000001	390.638456930125
Cond-004451	NPD4513	NPD4513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.830188679	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)Nc4cccc(c4)C(=O)C)cc31)c2=O	InChI=1S/C30H23N3O6/c1-16(34)17-5-4-6-18(13-17)32-25(35)15-39-19-7-9-23-22(14-19)20-11-12-31-27-21-8-10-24(37-2)29(38-3)26(21)30(36)33(23)28(20)27/h4-14H,15H2,1-3H3,(H,32,35)	C30H23N3O6	521.52	9	1	108.75	6	8	0	-1.983	5.71258000000001	3.77	3.628	46.4661	150.2272	3.69060000000001	444.982005587869
Cond-004452	NPD4515	NPD4515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2490997144	CC1(C)CC(=O)c2c(O1)cc(OCC(=O)NCC(O)c1ccccc1)cc2O	InChI=1S/C21H23NO6/c1-21(2)10-16(24)20-15(23)8-14(9-18(20)28-21)27-12-19(26)22-11-17(25)13-6-4-3-5-7-13/h3-9,17,23,25H,10-12H2,1-2H3,(H,22,26)	C21H23NO6	385.41	7	3	105.09	3	7	0	-1.7391	3.12877	3	2.352	52.1442	108.613	2.8497	355.549210546735
Cond-004453	NPD4516	NPD4516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.8715768197	CCc1c(C)c2ccc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(C)c2oc1=O	InChI=1S/C27H28N2O7/c1-5-18-13(2)19-7-9-23(14(3)24(19)36-27(18)34)35-15(4)25(31)29-22(26(32)33)10-16-12-28-21-8-6-17(30)11-20(16)21/h6-9,11-12,15,22,28,30H,5,10H2,1-4H3,(H,29,31)(H,32,33)	C27H28N2O7	492.52	9	4	137.95	4	9	0	-0.533500000000001	4.61418000000001	3.44	3.166	75.079	139.9683	3.616	447.946270407464
Cond-004454	NPD4517	NPD4517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4536403236	CCCCc1cc(=O)oc2c3CN(Cc4ccc(Cl)cc4)COc3ccc12	InChI=1S/C22H22ClNO3/c1-2-3-4-16-11-21(25)27-22-18(16)9-10-20-19(22)13-24(14-26-20)12-15-5-7-17(23)8-6-15/h5-11H,2-4,12-14H2,1H3	C22H22ClNO3	383.868	4	0	38.77	4	5	1	0.244199999999999	5.61317	3.33	5.555	55.6934	110.83	2.8283	349.329124140552
Cond-004455	NPD4518	NPD4518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5361028684	COCCNC(=O)COc1c2c(C)c(C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C21H27NO6/c1-12-13(2)20(24)27-19-14-6-7-21(3,4)28-15(14)10-16(18(12)19)26-11-17(23)22-8-9-25-5/h10H,6-9,11H2,1-5H3,(H,22,23)	C21H27NO6	389.442	7	1	83.09	3	7	0	1.0082	3.69676000000001	3	1.904	80.2414	110.0567	2.9357	371.722127948335
Cond-004456	NPD4519	NPD4519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3837528774	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CO	InChI=1S/C23H33N3O5/c1-15(2)11-20(23(30)25-10-4-5-18(25)14-27)24-22(29)16-12-21(28)26(13-16)17-6-8-19(31-3)9-7-17/h6-9,15-16,18,20,27H,4-5,10-14H2,1-3H3,(H,24,29)/t16?,18-,20-/m0/s1	C23H33N3O5	431.525	8	2	99.18	3	10	0	-2.4466	2.32328	3.11	1.669	85.7758	120.3275	3.3584	419.517390915842
Cond-004457	NPD452	NPD452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2249389958	COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)ccc(Br)c1	InChI=1S/C24H21BrO3/c1-14-12-18-23(27-14)22-16-13-15(25)8-9-19(16)28-21(22)10-11-24(18,2)17-6-4-5-7-20(17)26-3/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1	C24H21BrO3	437.326	3	0	35.51	5	2	1	1.5585	6.41200000000001	3.66	7.086	42.3254	117.302	2.9113	340.203966989652
Cond-004458	NPD4520	NPD4520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5090006811	CC(=O)CCc1ccc(OCCN2CCCCC2c2cnccc2)cc1	InChI=1S/C22H28N2O2/c1-18(25)7-8-19-9-11-21(12-10-19)26-16-15-24-14-3-2-6-22(24)20-5-4-13-23-17-20/h4-5,9-13,17,22H,2-3,6-8,14-16H2,1H3	C22H28N2O2	352.47	4	0	42.43	3	8	0	-1.1772	4.10199000000001	3.44	4.048	50.9714	105.806	2.8986	351.317507279325
Cond-004459	NPD4521	NPD4521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3752222881	COc1ccc2c(oc(=O)c(CC(=O)NC(C)Cc3c[nH]c4c3cccc4)c2C)c1	InChI=1S/C24H24N2O4/c1-14(10-16-13-25-21-7-5-4-6-19(16)21)26-23(27)12-20-15(2)18-9-8-17(29-3)11-22(18)30-24(20)28/h4-9,11,13-14,25H,10,12H2,1-3H3,(H,26,27)	C24H24N2O4	404.458	6	2	80.42	4	7	0	-0.381400000000002	4.48176000000001	3.44	4.032	56.4407	121.1627	3.0602	372.32409512898
Cond-004460	NPD4522	NPD4522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.171953955	COc1ccc(cc1)c1cc(=O)oc2cc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)ccc12	InChI=1S/C30H26N2O8/c1-16(29(35)32-26(30(36)37)11-18-15-31-25-10-5-19(33)12-24(18)25)39-21-8-9-22-23(14-28(34)40-27(22)13-21)17-3-6-20(38-2)7-4-17/h3-10,12-16,26,31,33H,11H2,1-2H3,(H,32,35)(H,36,37)	C30H26N2O8	542.536	10	4	147.18	5	10	0	-2.0873	4.28746000000001	3.66	4.078	62.1851	151.1893	3.85980000000001	477.458616182425
Cond-004461	NPD4523	NPD4523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9551425513	CC(=O)Nc1c(cc(Br)cc1)C(=O)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C20H18BrN3O3/c1-12(25)24-18-7-6-14(21)10-16(18)19(26)20(27)22-9-8-13-11-23-17-5-3-2-4-15(13)17/h2-7,10-11,23H,8-9H2,1H3,(H,22,27)(H,24,25)	C20H18BrN3O3	428.279	6	3	91.06	3	8	0	-0.7879	3.58758	2.89	3.873	46.7165	112.5049	2.8213	336.986767811485
Cond-004462	NPD4524	NPD4524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2817583509	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCCc3c[nH]c4c3cc(F)cc4)c1C)c2	InChI=1S/C25H21FN2O4/c1-13-12-31-22-10-23-18(8-17(13)22)14(2)19(25(30)32-23)9-24(29)27-6-5-15-11-28-21-4-3-16(26)7-20(15)21/h3-4,7-8,10-12,28H,5-6,9H2,1-2H3,(H,27,29)	C25H21FN2O4	432.444	6	2	84.33	5	6	0	0.8419	4.99798000000001	3.44	3.515	52.1206	123.3857	3.0672	369.794721203553
Cond-004463	NPD4525	NPD4525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4111511238	CCCc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4c3cc(OC)cc4)ccc12	InChI=1S/C25H26N2O5/c1-3-4-16-11-25(29)32-23-13-19(5-7-20(16)23)31-15-24(28)26-10-9-17-14-27-22-8-6-18(30-2)12-21(17)22/h5-8,11-14,27H,3-4,9-10,15H2,1-2H3,(H,26,28)	C25H26N2O5	434.484	7	2	89.65	4	10	0	-1.2956	4.49196000000001	3.44	3.95	62.3932	127.7367	3.2598	398.410306455408
Cond-004464	NPD4526	NPD4526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.127700017	Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C25H29NO6/c1-15-17-12-16-7-10-25(8-3-2-4-9-25)32-20(16)14-21(17)31-24(30)18(15)13-22(27)26-11-5-6-19(26)23(28)29/h12,14,19H,2-11,13H2,1H3,(H,28,29)/t19-/m0/s1	C25H29NO6	439.501	7	1	93.14	5	4	0	-1.4076	4.92546000000001	3.44	3.435	83.6181	122.7268	3.2391	413.556690349402
Cond-004465	NPD4527	NPD4527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.019782394	COc1c(OC)cc2C(C)N(CCc2c1)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C	InChI=1S/C24H30N2O4/c1-15(2)22(25-23(27)17-9-7-6-8-10-17)24(28)26-12-11-18-13-20(29-4)21(30-5)14-19(18)16(26)3/h6-10,13-16,22H,11-12H2,1-5H3,(H,25,27)/t16?,22-/m0/s1	C24H30N2O4	410.506	6	1	67.87	3	8	0	-0.6893	3.23139000000001	3.44	4.635	65.5658	118.1557	3.2548	400.85347123138
Cond-004466	NPD4528	NPD4528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0522025242	CSC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O	InChI=1S/C16H17NO6S/c1-9-5-15(19)23-13-6-10(3-4-11(9)13)22-7-14(18)17-12(8-24-2)16(20)21/h3-6,12H,7-8H2,1-2H3,(H,17,18)(H,20,21)/t12-/m0/s1	C16H17NO6S	351.374	7	2	127.23	2	8	0	0.0332999999999994	1.87207	2.34	1.806	63.1843	93.4135	2.4603	313.471228876601
Cond-004467	NPD4529	NPD4529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.060665362	COc1cc2c(cc1OC)C(NCC2)c1c(O)nc(O)n(CC=C)c1=O	InChI=1S/C18H21N3O5/c1-4-7-21-17(23)14(16(22)20-18(21)24)15-11-9-13(26-3)12(25-2)8-10(11)5-6-19-15/h4,8-9,15,19,22H,1,5-7H2,2-3H3,(H,20,24)	C18H21N3O5	359.376	8	3	103.62	3	5	0	0.3791	1.24526	2.56	0.744	70.689	98.3623000000001	2.6109	330.401009085707
Cond-004468	NPD453	NPD453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.9306930693	CCCc1cc2c(oc(C)c(c3ccc(o3)C(=O)OCC)c2=O)cc1O	InChI=1S/C20H20O6/c1-4-6-12-9-13-17(10-14(12)21)25-11(3)18(19(13)22)15-7-8-16(26-15)20(23)24-5-2/h7-10,21H,4-6H2,1-3H3	C20H20O6	356.369	6	1	85.97	3	6	0	-0.6801	4.20306	3	3.903	55.2654	100.8605	2.609	327.256465712702
Cond-004469	NPD4530	NPD4530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.41470088	OC(=O)[C@H](CSCc1ccccc1)NC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C25H25NO6S/c27-23(26-21(24(28)29)15-33-14-16-6-2-1-3-7-16)13-31-17-10-11-19-18-8-4-5-9-20(18)25(30)32-22(19)12-17/h1-3,6-7,10-12,21H,4-5,8-9,13-15H2,(H,26,27)(H,28,29)/t21-/m0/s1	C25H25NO6S	467.534	7	2	127.23	4	10	1	-1.2395	4.20998	3.33	5.418	71.1067	129.6785	3.3822	425.612797005402
Cond-004470	NPD4531	NPD4531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.0026513368	COc1cc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)C2=O)cc1OC	InChI=1S/C25H25NO11/c1-33-17-11-20(35-3)19(34-2)8-13(17)9-21-24(30)15-5-4-14(10-18(15)37-21)36-12-22(27)26-16(25(31)32)6-7-23(28)29/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,26,27)(H,28,29)(H,31,32)/b21-9-/t16-/m0/s1	C25H25NO11	515.466	12	3	166.92	3	13	1	-2.4329	3.19436	2.89	1.568	77.4036	133.7098	3.5778	460.774906450608
Cond-004471	NPD4532	NPD4532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6643495531	CC(C)OCCCNC(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C25H23N3O3/c1-15(2)31-13-7-12-26-24(29)20-14-19-16-8-5-6-11-21(16)28-23(19)22(27-20)17-9-3-4-10-18(17)25(28)30/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29)	C25H23N3O3	413.468	6	1	73.22	5	7	1	-1.6363	5.23047000000001	3.55	5.053	44.0334	126.4292	3.0906	365.933695860852
Cond-004472	NPD4533	NPD4533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7165061458	CC(O)CNC(=O)CNC(=O)CNC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O	InChI=1S/C24H29N3O7/c1-11-6-17-22(23-21(11)13(3)15(5)33-23)14(4)16(24(32)34-17)7-18(29)26-9-20(31)27-10-19(30)25-8-12(2)28/h6,12,28H,7-10H2,1-5H3,(H,25,30)(H,26,29)(H,27,31)	C24H29N3O7	471.503	10	4	146.97	3	11	1	-0.524100000000001	0.861630000000002	3	0.395	90.5991	127.3609	3.4877	435.58445284043
Cond-004473	NPD4534	NPD4534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.079207921	[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)(CC(=O)N[C@@H](CO)C(=O)O)c1ccc(Cl)cc1	InChI=1S/C23H26ClN3O5/c24-18-7-5-14(6-8-18)17(10-21(29)27-20(13-28)23(31)32)12-26-22(30)19-9-15-3-1-2-4-16(15)11-25-19/h1-8,17,19-20,25,28H,9-13H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20-/m0/s1	C23H26ClN3O5	459.923	8	5	127.76	3	11	1	-2.1341	1.10049	3	2.553	66.5821	121.7327	3.3518	415.919082583874
Cond-004474	NPD4535	NPD4535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.309384668	CSC[C@H](NC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccccc1)C(=O)O	InChI=1S/C22H21NO6S/c1-13-18(28-11-19(24)23-17(12-30-2)22(26)27)9-8-15-16(10-20(25)29-21(13)15)14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,23,24)(H,26,27)/t17-/m0/s1	C22H21NO6S	427.47	7	2	127.23	3	9	1	0.0332999999999994	3.48399	3	5.086	63.1843	119.2505	3.0681	386.081301828602
Cond-004475	NPD4536	NPD4536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6213707581	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCc3cscc3)c(C)c1c2	InChI=1S/C23H23NO4S/c1-12-15(4)27-21-14(3)22-18(9-17(12)21)13(2)19(23(26)28-22)10-20(25)24-7-5-16-6-8-29-11-16/h6,8-9,11H,5,7,10H2,1-4H3,(H,24,25)	C23H23NO4S	409.498	5	1	96.78	4	6	0	2.4547	4.55263	3.33	4.045	66.9762	117.6837	3.026	365.176833053346
Cond-004476	NPD4537	NPD4537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.868496213	CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2O1	InChI=1S/C22H29NO7/c1-21(2)10-16(25)20-15(24)8-14(9-17(20)30-21)29-12-18(26)23-13-22(11-19(27)28)6-4-3-5-7-22/h8-9,24H,3-7,10-13H2,1-2H3,(H,23,26)(H,27,28)	C22H29NO7	419.468	8	3	122.16	3	8	0	-2.5424	4.16147000000001	3	2.073	79.0363	115.76	3.1353	397.808339274763
Cond-004477	NPD4538	NPD4538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8506224066	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)N3CCC(O)CC3)c(C)c1c2	InChI=1S/C21H23NO5/c1-11-13(3)26-18-10-19-16(8-15(11)18)12(2)17(21(25)27-19)9-20(24)22-6-4-14(23)5-7-22/h8,10,14,23H,4-7,9H2,1-3H3	C21H23NO5	369.411	6	1	79.98	4	3	0	-0.108600000000001	3.08751	3.11	1.953	65.7267	104.8318	2.7254	337.038983846174
Cond-004478	NPD4539	NPD4539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.5300184879	CCC(=O)c1c(OCCCCN2CCCCC2c2cnccc2)cccc1	InChI=1S/C23H30N2O2/c1-2-22(26)20-11-3-4-13-23(20)27-17-8-7-16-25-15-6-5-12-21(25)19-10-9-14-24-18-19/h3-4,9-11,13-14,18,21H,2,5-8,12,15-17H2,1H3	C23H30N2O2	366.497	4	0	42.43	3	9	0	-1.7742	4.68779000000001	3.55	4.667	52.4035	110.438	3.0395	368.613491905191
Cond-004479	NPD454	NPD454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1135029354	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)/C(=C\C)/C	InChI=1S/C32H52O2/c1-6-8-9-10-11-12-13-24-15-17-28-27-16-14-25-22-26(34-30(33)23(3)7-2)18-20-32(25,5)29(27)19-21-31(24,28)4/h7,14,24,26-29H,6,8-13,15-22H2,1-5H3/b23-7-/t24?,26-,27?,28?,29?,31+,32-/m0/s1	C32H52O2	468.754	2	0	26.3	4	10	1	0.655299999999999	9.28027	4.76	12.377	131.6665	145.2	4.1714	522.273209224059
Cond-004480	NPD4540	NPD4540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9921252067	CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(oc5c4CCCC5)cc3oc2=O)cc1	InChI=1S/C26H24N2O5/c1-14-19-11-21-18-5-3-4-6-22(18)32-24(21)13-23(19)33-26(31)20(14)12-25(30)28-17-9-7-16(8-10-17)27-15(2)29/h7-11,13H,3-6,12H2,1-2H3,(H,27,29)(H,28,30)	C26H24N2O5	444.479	7	2	97.64	5	6	0	-1.0095	6.06945000000001	3.55	4.142	61.2883	131.7254	3.2491	400.713373679674
Cond-004481	NPD4541	NPD4541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.0938016931	Cc1c2NC(=O)[C@]3(N4CCC[C@@H]4[C@@H](C(=O)c4ccccc4)[C@@]43C(=O)Nc3c4cccc3)c2cc(Cl)c1	InChI=1S/C29H24ClN3O3/c1-16-14-18(30)15-20-24(16)32-27(36)29(20)28(19-10-5-6-11-21(19)31-26(28)35)23(22-12-7-13-33(22)29)25(34)17-8-3-2-4-9-17/h2-6,8-11,14-15,22-23H,7,12-13H2,1H3,(H,31,35)(H,32,36)/t22-,23+,28-,29-/m1/s1	C29H24ClN3O3	497.972	6	2	78.51	7	2	0	-1.5481	5.5303	3.88	4.798	56.7231	139.3569	3.5164	433.879326032352
Cond-004482	NPD4542	NPD4542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.365775186	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-6-10(2)19(21(25)26)23-16(24)8-14-13(5)18-15(29-22(14)27)7-11(3)17-12(4)9-28-20(17)18/h7,9-10,19H,6,8H2,1-5H3,(H,23,24)(H,25,26)/t10-,19+/m1/s1	C22H25NO6	399.437	7	2	105.84	3	7	0	0.6572	3.73891	3.11	2.935	72.1739	109.6035	2.9906	372.845195172602
Cond-004483	NPD4543	NPD4543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.354810042	Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C21H21NO4/c1-11-14-8-16-13-4-2-3-5-17(13)25-19(16)10-18(14)26-21(24)15(11)9-20(23)22-12-6-7-12/h8,10,12H,2-7,9H2,1H3,(H,22,23)	C21H21NO4	351.396	5	1	68.54	5	4	0	-1.011	4.15086000000001	3.22	3.107	57.6435	103.2717	2.5581	315.892298444813
Cond-004484	NPD4544	NPD4544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.4013411151	COc1ccc(cc1)C(C)N1CC23O[C@@H](C=C2)C(C3C1=O)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C28H29N3O4/c1-17(18-7-9-20(34-2)10-8-18)31-16-28-13-11-23(35-28)24(25(28)27(31)33)26(32)29-14-12-19-15-30-22-6-4-3-5-21(19)22/h3-11,13,15,17,23-25,30H,12,14,16H2,1-2H3,(H,29,32)/t17?,23-,24?,25?,28?/m0/s1	C28H29N3O4	471.548	7	2	83.66	6	8	0	-1.7731	3.12067000000001	3.77	3.003	73.5534	135.5267	3.50640000000001	427.791876439014
Cond-004485	NPD4545	NPD4545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.0399850987	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C23H23N3O5/c1-26-18(11-15-19(30-2)8-9-20(31-3)21(15)26)22(27)25-17(23(28)29)10-13-12-24-16-7-5-4-6-14(13)16/h4-9,11-12,17,24H,10H2,1-3H3,(H,25,27)(H,28,29)/t17-/m0/s1	C23H23N3O5	421.446	8	3	105.58	4	8	0	-1.3778	4.16566	3.11	2.777	49.3753	124.734	3.0778	363.915097411841
Cond-004486	NPD4546	NPD4546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3271382699	[C@@H]1(C[C@H](CCSC)N[C@@]21C(=O)Nc1c2cc(C)cc1)C(=O)Nc1cc(OC)ccc1OC	InChI=1S/C24H29N3O4S/c1-14-5-7-19-17(11-14)24(23(29)26-19)18(12-15(27-24)9-10-32-4)22(28)25-20-13-16(30-2)6-8-21(20)31-3/h5-8,11,13,15,18,27H,9-10,12H2,1-4H3,(H,25,28)(H,26,29)/t15-,18+,24-/m0/s1	C24H29N3O4S	455.57	7	3	113.99	4	8	0	-0.959499999999999	4.3968	3.22	4.212	73.205	129.8121	3.4095	418.002796796347
Cond-004487	NPD4547	NPD4547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.1410129096	Clc1ccc(CNC(=O)c2cc3c4n(c5ccccc35)c(=O)c3c(cccc3)c4n2)cc1	InChI=1S/C26H16ClN3O2/c27-16-11-9-15(10-12-16)14-28-25(31)21-13-20-17-5-3-4-8-22(17)30-24(20)23(29-21)18-6-1-2-7-19(18)26(30)32/h1-13H,14H2,(H,28,31)	C26H16ClN3O2	437.877	5	1	63.99	6	4	1	-0.5137	5.92947	3.66	6.373	25.2108	130.2572	3.05760000000001	358.484686753391
Cond-004488	NPD4548	NPD4548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5504780827	Cc1coc2c1cc1c(C)c(CCC(=O)Nc3nc4c([nH]3)cccc4)c(=O)oc1c2C	InChI=1S/C24H21N3O4/c1-12-11-30-21-14(3)22-17(10-16(12)21)13(2)15(23(29)31-22)8-9-20(28)27-24-25-18-6-4-5-7-19(18)26-24/h4-7,10-11H,8-9H2,1-3H3,(H2,25,26,27,28)	C24H21N3O4	415.441	7	2	97.22	5	5	0	0.799399999999999	5.55189	3.33	3.914	52.4516	121.6387	3.0084	357.427937935547
Cond-004489	NPD4549	NPD4549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6066062337	CC(=C)COc1ccc2c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc2c1C	InChI=1S/C23H27N3O4/c1-15(2)13-29-20-7-6-18-16(3)19(23(28)30-22(18)17(20)4)12-21(27)25-8-5-10-26-11-9-24-14-26/h6-7,9,11,14H,1,5,8,10,12-13H2,2-4H3,(H,25,27)	C23H27N3O4	409.478	7	1	82.45	3	10	0	1.4293	4.18878000000001	3.22	2.141	73.1595	119.3897	3.1707	391.91778811288
Cond-004490	NPD455	NPD455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4298460633	CCCc1c(C)c2ccc(OC(=O)C(C)NC(=O)OCc3ccccc3)cc2oc1=O	InChI=1S/C24H25NO6/c1-4-8-20-15(2)19-12-11-18(13-21(19)31-23(20)27)30-22(26)16(3)25-24(28)29-14-17-9-6-5-7-10-17/h5-7,9-13,16H,4,8,14H2,1-3H3,(H,25,28)	C24H25NO6	423.458	7	1	90.93	3	10	1	0.183899999999999	4.15878000000001	3.33	6.325	62.3661	118.5977	3.1864	402.164247022736
Cond-004491	NPD4550	NPD4550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.976166832	COc1ccc(NC(=O)COc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)c(OC)c1	InChI=1S/C30H25N3O7/c1-36-16-5-8-21(24(14-16)38-3)32-25(34)15-40-17-6-9-22-20(13-17)18-11-12-31-27-19-7-10-23(37-2)29(39-4)26(19)30(35)33(22)28(18)27/h5-14H,15H2,1-4H3,(H,32,34)	C30H25N3O7	539.535	10	1	110.14	6	9	0	-1.8327	5.52718	3.66	3.238	50.3273	153.3267	3.7923	456.40869098923
Cond-004492	NPD4551	NPD4551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.1984042036	[C@@H]1(C[C@@H]2CCCN2[C@@]21C(=O)Nc1c2cc(C)cc1)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C25H27N3O4/c1-3-32-23(30)16-7-9-17(10-8-16)26-22(29)20-14-18-5-4-12-28(18)25(20)19-13-15(2)6-11-21(19)27-24(25)31/h6-11,13,18,20H,3-5,12,14H2,1-2H3,(H,26,29)(H,27,31)/t18-,20+,25-/m0/s1	C25H27N3O4	433.5	7	2	87.74	5	6	0	-1.1416	3.44381	3.44	3.574	63.875	122.0054	3.2353	401.796839963014
Cond-004493	NPD4552	NPD4552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2898120673	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCc3ncccc3)c12	InChI=1S/C24H26N2O5/c1-4-15-11-21(28)30-23-17-8-9-24(2,3)31-18(17)12-19(22(15)23)29-14-20(27)26-13-16-7-5-6-10-25-16/h5-7,10-12H,4,8-9,13-14H2,1-3H3,(H,26,27)	C24H26N2O5	422.474	7	1	86.75	4	7	0	0.160199999999998	4.76596000000001	3.33	3.641	68.7047	121.8057	3.1619	394.650780530341
Cond-004494	NPD4554	NPD4554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.969661063	COCCNC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O	InChI=1S/C24H23NO5/c1-14-17-11-19-20(16-7-5-4-6-8-16)13-29-22(19)15(2)23(17)30-24(27)18(14)12-21(26)25-9-10-28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	7	0	0.4868	4.57339000000001	3.44	4.309	55.5243	118.1477	3.0191	370.117561621374
Cond-004495	NPD4555	NPD4555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0963616044	CC(=C)COc1c2c(oc(=O)c(CC(=O)NCCc3c[nH]c4ccccc34)c2C)cc(C)c1	InChI=1S/C27H28N2O4/c1-16(2)15-32-23-11-17(3)12-24-26(23)18(4)21(27(31)33-24)13-25(30)28-10-9-19-14-29-22-8-6-5-7-20(19)22/h5-8,11-12,14,29H,1,9-10,13,15H2,2-4H3,(H,28,30)	C27H28N2O4	444.522	6	2	80.42	4	9	0	1.5277	4.99377000000001	3.77	4.361	70.3895	133.6947	3.4399	421.57559030578
Cond-004496	NPD4556	NPD4556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6906759734	COC(=O)Cc1c(C)c2cc3c(OCN(Cc4ccccc4)C3)c(C)c2oc1=O	InChI=1S/C23H23NO5/c1-14-18-9-17-12-24(11-16-7-5-4-6-8-16)13-28-21(17)15(2)22(18)29-23(26)19(14)10-20(25)27-3/h4-9H,10-13H2,1-3H3	C23H23NO5	393.432	6	0	65.07	4	5	0	1.2033	3.75079	3.33	4.305	59.8873	111.185	2.9212	366.358035696308
Cond-004497	NPD4557	NPD4557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	98.8282025819	CC(=C)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1CC(=C)C	InChI=1S/C26H22N2O2/c1-15(2)13-20-22(30-14-16(3)4)10-9-21-23(20)19-11-12-27-24-17-7-5-6-8-18(17)26(29)28(21)25(19)24/h5-12H,1,3,13-14H2,2,4H3	C26H22N2O2	394.465	4	0	44.12	5	5	1	1.9867	6.30186	3.88	5.344	47.2322	126.657	3.03	360.806234877191
Cond-004498	NPD4559	NPD4559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7601045646	COc1c(NC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)cc(C)cc1	InChI=1S/C24H23NO5/c1-13-5-7-20(28-4)19(9-13)25-23(26)8-6-16-15(3)18-10-17-14(2)12-29-21(17)11-22(18)30-24(16)27/h5,7,9-12H,6,8H2,1-4H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	6	0	1.168	5.7609	3.44	3.86	56.4674	117.0657	3.0191	370.117561621374
Cond-004499	NPD456	NPD456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.8852875206	COc1ccc2c(=O)/c(=C/c3cc(OC)c(OC)cc3)/oc3cccc1c23	InChI=1S/C22H18O5/c1-24-16-10-8-15-21-14(16)5-4-6-18(21)27-20(22(15)23)12-13-7-9-17(25-2)19(11-13)26-3/h4-12H,1-3H3/b20-12-	C22H18O5	362.375	5	0	53.99	4	4	0	-0.5523	4.76827	3.33	4.489	38.5588	107.002	2.6375	324.528832161474
Cond-004500	NPD4560	NPD4560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.563889234	CCc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12	InChI=1S/C24H24N2O5/c1-2-16-9-24(29)31-21-10-18(6-7-19(16)21)30-14-23(28)25-11-15-8-17(13-25)20-4-3-5-22(27)26(20)12-15/h3-7,9-10,15,17H,2,8,11-14H2,1H3/t15-,17+/m1/s1	C24H24N2O5	420.458	7	0	76.15	5	5	0	-1.3771	2.94275	3.33	1.816	91.2271	116.655	3.0533	393.194321829541
Cond-004501	NPD4561	NPD4561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.044029157	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)N[C@H](C)C(=O)O	InChI=1S/C23H21N3O4/c1-3-30-19-11-7-5-9-15(19)20-21-16(14-8-4-6-10-17(14)25-21)12-18(26-20)22(27)24-13(2)23(28)29/h4-13,25H,3H2,1-2H3,(H,24,27)(H,28,29)/t13-/m1/s1	C23H21N3O4	403.431	7	3	104.31	4	7	0	-1.2022	4.59547	3.22	4.333	38.7919	121.41	2.9761	352.48841201048
Cond-004502	NPD4562	NPD4562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.833234539	Cc1c(CC(=O)NCCCc2ccco2)c(=O)oc2cc(O)cc(O)c12	InChI=1S/C19H19NO6/c1-11-14(10-17(23)20-6-2-4-13-5-3-7-25-13)19(24)26-16-9-12(21)8-15(22)18(11)16/h3,5,7-9,21-22H,2,4,6,10H2,1H3,(H,20,23)	C19H19NO6	357.357	7	3	109	3	7	0	-1.068	3.07437	2.78	1.401	50.4868	96.8983	2.5679	320.957241295002
Cond-004503	NPD4563	NPD4563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3671542488	CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)O	InChI=1S/C27H34N4O5/c1-5-17(4)22(26(34)35)30-24(32)20(15-18-11-7-6-8-12-18)29-27(36)31-21-14-10-9-13-19(21)28-25(33)23(31)16(2)3/h6-14,16-17,20,22-23H,5,15H2,1-4H3,(H,28,33)(H,29,36)(H,30,32)(H,34,35)	C27H34N4O5	494.583	9	4	131.33	3	12	2	-1.5232	4.71427000000001	3.44	6.395	79.527	143.24	3.84980000000001	478.252254824275
Cond-004504	NPD4564	NPD4564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3440953682	Cc1c(CCC(=O)Nc2ccccn2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H20N2O4/c1-16-18(10-11-25(29)28-24-9-5-6-12-27-24)26(30)32-23-14-22-20(13-19(16)23)21(15-31-22)17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,27,28,29)	C26H20N2O4	424.448	6	1	81.43	5	6	1	-0.0641999999999998	6.80666	3.66	5.992	38.1474	127.3487	3.1044	375.750229577513
Cond-004505	NPD4566	NPD4566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8669314796	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NCc4ccncc4)cc31)c2=O	InChI=1S/C29H24N4O5/c1-16(28(34)32-15-17-8-11-30-12-9-17)38-18-4-6-22-21(14-18)19-10-13-31-25-20-5-7-23(36-2)27(37-3)24(20)29(35)33(22)26(19)25/h4-14,16H,15H2,1-3H3,(H,32,34)	C29H24N4O5	508.525	9	1	104.57	6	8	0	-1.6215	4.03159	3.66	3.199	45.0674	144.8307	3.6338	432.529013170408
Cond-004506	NPD4567	NPD4567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.8430983118	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCCN4CCOCC4)cc31)c2=O	InChI=1S/C29H30N4O6/c1-36-23-7-5-20-25(28(23)37-2)29(35)33-22-6-4-18(16-21(22)19-8-10-31-26(20)27(19)33)39-17-24(34)30-9-3-11-32-12-14-38-15-13-32/h4-8,10,16H,3,9,11-15,17H2,1-2H3,(H,30,34)	C29H30N4O6	530.572	10	1	104.15	6	10	0	-2.0884	3.10969000000001	3.55	1.605	71.3976	149.7937	3.8215	460.128615973369
Cond-004507	NPD4568	NPD4568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3137719818	CC(CCc1ccco1)NC(=O)CCc1c(C)c2ccc(OCC(=C)C)cc2oc1=O	InChI=1S/C25H29NO5/c1-16(2)15-30-20-9-10-21-18(4)22(25(28)31-23(21)14-20)11-12-24(27)26-17(3)7-8-19-6-5-13-29-19/h5-6,9-10,13-14,17H,1,7-8,11-12,15H2,2-4H3,(H,26,27)	C25H29NO5	423.501	6	1	77.77	3	11	1	0.915700000000001	5.32286000000001	3.55	3.978	75.5679	122.8197	3.3116	413.306463648841
Cond-004508	NPD4569	NPD4569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8212512413	COc1ccc(NC(=O)C(C)Oc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)cc1OC	InChI=1S/C31H27N3O7/c1-16(30(35)33-17-6-10-23(37-2)25(14-17)39-4)41-18-7-9-22-21(15-18)19-12-13-32-27-20-8-11-24(38-3)29(40-5)26(20)31(36)34(22)28(19)27/h6-16H,1-5H3,(H,33,35)	C31H27N3O7	553.562	10	1	110.14	6	9	0	-1.7367	5.91568	3.77	3.764	54.9868	157.9217	3.9332	473.704675615097
Cond-004509	NPD457	NPD457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.5719388132	O=c1oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c2c1CCC2	InChI=1S/C26H22O4/c27-26-22-13-7-12-21(22)25-23(29-17-19-10-5-2-6-11-19)14-20(15-24(25)30-26)28-16-18-8-3-1-4-9-18/h1-6,8-11,14-15H,7,12-13,16-17H2	C26H22O4	398.45	4	0	44.76	5	6	1	-0.4627	5.57407	3.88	7.685	39.4751	117.126	2.9908	369.92962656278
Cond-004510	NPD4570	NPD4570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2574257426	OCC1CCCN1C(=O)C(Cc1c[nH]c2c1cccc2)n1c(O)nc2ccccc2c1=O	InChI=1S/C24H24N4O4/c29-14-16-6-5-11-27(16)23(31)21(12-15-13-25-19-9-3-1-7-17(15)19)28-22(30)18-8-2-4-10-20(18)26-24(28)32/h1-4,7-10,13,16,21,25,29H,5-6,11-12,14H2,(H,26,32)	C24H24N4O4	432.472	8	3	109.23	5	6	0	-2.4114	2.55317	3.22	3.347	56.0588	125.2566	3.1512	381.961156844513
Cond-004511	NPD4571	NPD4571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2435647954	COc1cc(OC)c(CNC(=O)COc2c3c(C)cc(=O)oc3cc(C)c2)cc1	InChI=1S/C22H23NO6/c1-13-7-18(22-14(2)9-21(25)29-19(22)8-13)28-12-20(24)23-11-15-5-6-16(26-3)10-17(15)27-4/h5-10H,11-12H2,1-4H3,(H,23,24)	C22H23NO6	397.421	7	1	83.09	3	8	0	0.2757	3.51729	3.11	2.995	59.2857	112.0687	2.9476	370.208736471802
Cond-004512	NPD4572	NPD4572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4149448271	Cc1c2oc(=O)c(CC(=O)NC3CC3)c(C)c2cc2c1occ2c1ccccc1	InChI=1S/C24H21NO4/c1-13-17-10-19-20(15-6-4-3-5-7-15)12-28-22(19)14(2)23(17)29-24(27)18(13)11-21(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)	C24H21NO4	387.428	5	1	68.54	5	5	1	-0.111	5.08939000000001	3.55	5.042	48.0052	114.4267	2.8518	348.970876220013
Cond-004513	NPD4573	NPD4573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.0374558987	COc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C29H27N3O4/c1-34-20-11-9-19(10-12-20)27-28-22(21-6-4-5-7-23(21)31-28)17-24(32-27)29(33)30-15-14-18-8-13-25(35-2)26(16-18)36-3/h4-13,16-17,31H,14-15H2,1-3H3,(H,30,33)	C29H27N3O4	481.542	7	2	85.47	5	9	1	-0.943399999999999	5.72667000000001	3.88	5.536	41.8529	147.5907	3.6269	427.73494366328
Cond-004514	NPD4574	NPD4574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.7676318843	Cc1c(c2c(o1)c(C)c1oc(=O)c(CCC(=O)NCCCO)c(C)c1c2)c1ccccc1	InChI=1S/C26H27NO5/c1-15-19(10-11-22(29)27-12-7-13-28)26(30)32-24-16(2)25-21(14-20(15)24)23(17(3)31-25)18-8-5-4-6-9-18/h4-6,8-9,14,28H,7,10-13H2,1-3H3,(H,27,29)	C26H27NO5	433.496	6	2	88.77	4	8	0	0.2922	4.70831000000001	3.66	4.814	64.2826	128.6605	3.3009	404.709530873108
Cond-004515	NPD4575	NPD4575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.505303104	CC(C)C(=O)N1CCc2c([nH]c3c2cccc3)C21C(=O)N(C)c1ccc(Br)cc21	InChI=1S/C23H22BrN3O2/c1-13(2)21(28)27-11-10-16-15-6-4-5-7-18(15)25-20(16)23(27)17-12-14(24)8-9-19(17)26(3)22(23)29/h4-9,12-13,25H,10-11H2,1-3H3	C23H22BrN3O2	452.344	5	1	56.41	5	2	0	0.0177000000000003	4.35628	3.33	3.898	59.0324	120.581	3.0111	358.008036287724
Cond-004516	NPD4576	NPD4576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.9504950495	CCC(C)[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C21H29N5O4/c1-5-13(4)17(18(27)23-16(12(2)3)19(28)29)24-21(30)26-11-10-25-15-9-7-6-8-14(15)22-20(25)26/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,23,27)(H,24,30)(H,28,29)/t13?,16-,17-/m0/s1	C21H29N5O4	415.486	9	3	116.56	3	10	0	-1.3105	3.77736	2.78	2.73	75.1848	119.0072	3.1745	384.59225667908
Cond-004517	NPD4577	NPD4577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8592658422	Cc1coc2c3c(oc(=O)c(CC(=O)Nc4ccc(F)cc4)c3C)cc(C)c12	InChI=1S/C22H18FNO4/c1-11-8-17-20(21-19(11)12(2)10-27-21)13(3)16(22(26)28-17)9-18(25)24-15-6-4-14(23)5-7-15/h4-8,10H,9H2,1-3H3,(H,24,25)	C22H18FNO4	379.381	5	1	68.54	4	4	0	1.6371	5.5013	3.22	4.094	45.1587	105.8547	2.6963	332.802924519386
Cond-004518	NPD4578	NPD4578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3843245101	CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSC)C(=O)O)ccc12	InChI=1S/C19H23NO6S/c1-4-5-12-8-17(22)26-18-11(2)15(7-6-13(12)18)25-9-16(21)20-14(10-27-3)19(23)24/h6-8,14H,4-5,9-10H2,1-3H3,(H,20,21)(H,23,24)/t14-/m0/s1	C19H23NO6S	393.454	7	2	127.23	2	10	0	-0.141000000000002	3.23579	2.67	2.951	76.86	108.6145	2.883	365.359182754202
Cond-004519	NPD4579	NPD4579	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5477795058	Cc1c2oc(=O)c(CCC(=O)NCCCn3ccnc3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C26H29N3O4/c1-16-18(8-9-23(30)28-10-5-12-29-13-11-27-15-29)26(31)33-24-17(2)25-21(14-20(16)24)19-6-3-4-7-22(19)32-25/h11,13-15H,3-10,12H2,1-2H3,(H,28,30)	C26H29N3O4	447.526	7	1	86.36	5	8	0	0.068200000000001	4.69338000000001	3.55	3.123	74.0239	130.2177	3.3762	408.19282458888
Cond-004520	NPD458	NPD458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3559427505	CCOC(=O)COc1cc2c(cc1OCC(=O)OCC)c(C)cc(=O)o2	InChI=1S/C18H20O8/c1-4-22-17(20)9-24-14-7-12-11(3)6-16(19)26-13(12)8-15(14)25-10-18(21)23-5-2/h6-8H,4-5,9-10H2,1-3H3	C18H20O8	364.347	8	0	97.36	2	10	0	0.527800000000002	2.44467	2.56	1.921	65.7438	94.226	2.5962	336.13786726369
Cond-004521	NPD4580	NPD4580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.959285005	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)Nc4ccc(NC(=O)C)cc4)cc31)c2=O	InChI=1S/C31H26N4O6/c1-16(30(37)34-19-7-5-18(6-8-19)33-17(2)36)41-20-9-11-24-23(15-20)21-13-14-32-27-22-10-12-25(39-3)29(40-4)26(22)31(38)35(24)28(21)27/h5-16H,1-4H3,(H,33,36)(H,34,37)	C31H26N4O6	550.561	10	2	120.78	6	9	0	-2.258	7.43355	3.77	3.898	53.2211	163.4859	3.93130000000001	473.274750421903
Cond-004522	NPD4581	NPD4581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.994863265	CC(C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1	InChI=1S/C21H26N4O3/c1-11(2)18(10-26)25-20(27)13(4)23-21(28)17-9-15-14-7-5-6-8-16(14)24-19(15)12(3)22-17/h5-9,11,13,18,24,26H,10H2,1-4H3,(H,23,28)(H,25,27)/t13-,18+/m0/s1	C21H26N4O3	382.456	7	4	107.11	3	8	0	-1.2825	2.34710000000001	3	2.487	58.0795	113.8242	2.973	351.268811069552
Cond-004523	NPD4582	NPD4582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.1063031022	Cc1c2oc(=O)c(CCC(=O)NCCc3c[nH]cn3)c(C)c2cc2c1occ2c1ccccc1	InChI=1S/C27H25N3O4/c1-16-20(8-9-24(31)29-11-10-19-13-28-15-30-19)27(32)34-26-17(2)25-22(12-21(16)26)23(14-33-25)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3,(H,28,30)(H,29,31)	C27H25N3O4	455.505	7	2	97.22	5	8	0	-0.119	4.80099000000001	3.66	4.781	54.5733	133.6127	3.3881	406.679433112347
Cond-004524	NPD4583	NPD4583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3208700207	Clc1c(cccc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C24H13ClN2O/c25-19-11-5-3-7-14(19)18-13-26-22-15-8-1-2-9-16(15)24(28)27-20-12-6-4-10-17(20)21(18)23(22)27/h1-13H	C24H13ClN2O	380.826	3	0	34.89	6	1	1	0.1095	6.24399	3.66	6.858	13.0571	117.639	2.6603	306.742189293729
Cond-004525	NPD4584	NPD4584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9427287763	COc1c(OC)cc(NC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1	InChI=1S/C24H23NO6/c1-12-11-30-22-14(3)23-17(9-16(12)22)13(2)18(24(27)31-23)10-21(26)25-15-6-7-19(28-4)20(8-15)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)	C24H23NO6	421.443	7	1	87	4	6	0	1.0538	5.3794	3.33	3.036	58.9178	119.0007	3.0778	378.907788321935
Cond-004526	NPD4585	NPD4585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4571329828	Cc1c2oc(=O)c(CC(=O)NCc3cnccc3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C25H24N2O4/c1-14-18-10-20-17-7-3-4-8-21(17)30-24(20)15(2)23(18)31-25(29)19(14)11-22(28)27-13-16-6-5-9-26-12-16/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3,(H,27,28)	C25H24N2O4	416.469	6	1	81.43	5	5	0	0.269000000000002	4.27218000000001	3.55	3.555	58.6367	121.0747	3.0925	377.263621054047
Cond-004527	NPD4586	NPD4586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8619574802	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C24H25NO6/c1-14-20(11-10-18-17-4-2-3-5-19(17)24(29)31-22(14)18)30-13-21(26)25-12-15-6-8-16(9-7-15)23(27)28/h2-5,10-11,15-16H,6-9,12-13H2,1H3,(H,25,26)(H,27,28)/t15-,16-	C24H25NO6	423.458	7	2	101.93	4	7	0	-0.0963999999999982	4.37330000000001	3.33	4.191	61.5795	120.3585	3.1208	392.444247022736
Cond-004528	NPD4587	NPD4587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.412226021	Cc1c(CC(=O)NCc2cc3c(OCO3)cc2)c(=O)oc2cc(O)cc(O)c12	InChI=1S/C20H17NO7/c1-10-13(20(25)28-17-6-12(22)5-14(23)19(10)17)7-18(24)21-8-11-2-3-15-16(4-11)27-9-26-15/h2-6,22-23H,7-9H2,1H3,(H,21,24)	C20H17NO7	383.351	8	3	114.32	4	5	0	-1.1842	2.93876	2.78	1.117	48.9764	102.5763	2.6159	332.050535219829
Cond-004529	NPD4588	NPD4588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4041571009	Cc1coc2c1cc1c(C)c(CCC(=O)Nc3ccc4OCOc4c3)c(=O)oc1c2C	InChI=1S/C24H21NO6/c1-12-10-28-22-14(3)23-18(9-17(12)22)13(2)16(24(27)31-23)5-7-21(26)25-15-4-6-19-20(8-15)30-11-29-19/h4,6,8-10H,5,7,11H2,1-3H3,(H,25,26)	C24H21NO6	419.427	7	1	87	5	5	0	0.917099999999999	5.98179	3.33	3.132	56.6237	118.6977	2.9692	366.551329621135
Cond-004530	NPD4589	NPD4589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1689389449	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)N[C@H](CCSC)C(=O)O	InChI=1S/C16H18N2O4S2/c1-23-7-6-11(16(21)22)17-13(19)12-8-24-15-10-5-3-2-4-9(10)14(20)18(12)15/h2-5,11-12,15H,6-8H2,1H3,(H,17,19)(H,21,22)/t11-,12+,15?/m1/s1	C16H18N2O4S2	366.455	6	2	137.31	3	7	0	-0.6727	1.47169	2.34	2.46	65.5451	96.629	2.5406	315.676559741246
Cond-004531	NPD459	NPD459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2476857643	CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NCCCC(=O)OCc2ccccc2)cc1	InChI=1S/C30H32N2O5/c1-22(2)37-26-17-15-23(16-18-26)20-27(32-29(34)25-12-7-4-8-13-25)30(35)31-19-9-14-28(33)36-21-24-10-5-3-6-11-24/h3-8,10-13,15-18,20,22H,9,14,19,21H2,1-2H3,(H,31,35)(H,32,34)/b27-20-	C30H32N2O5	500.585	7	2	93.73	3	15	2	-1.6716	4.59618000000001	3.99	8.319	64.5206	143.9979	3.94390000000001	489.337312183142
Cond-004532	NPD4590	NPD4590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4826216485	COc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C21H16N2O4/c1-25-11-4-6-15-14(10-11)12-8-9-22-18-13-5-7-16(26-2)20(27-3)17(13)21(24)23(15)19(12)18/h4-10H,1-3H3	C21H16N2O4	360.363	6	0	62.58	5	3	0	-0.7902	3.90099	3.11	2.622	29.3889	105.965	2.5289	297.179682550579
Cond-004533	NPD4591	NPD4591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5877964295	Oc1nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c(=O)n1CCC1=CCCCC1	InChI=1S/C23H26N4O3/c28-21-18(20-19-16(10-12-24-20)15-8-4-5-9-17(15)25-19)22(29)27(23(30)26-21)13-11-14-6-2-1-3-7-14/h4-6,8-9,20,24-25,28H,1-3,7,10-13H2,(H,26,30)	C23H26N4O3	406.478	7	4	100.95	5	4	0	-0.3754	3.33715000000001	3.22	3.214	77.9009	119.5593	3.0376	372.047862919686
Cond-004534	NPD4592	NPD4592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9504950495	[C@@H](CNC(=O)[C@@H]1CSCN1)(CC(=O)N1CC(O)C[C@H]1C(=O)O)c1ccc(Cl)cc1	InChI=1S/C19H24ClN3O5S/c20-13-3-1-11(2-4-13)12(7-21-18(26)15-9-29-10-22-15)5-17(25)23-8-14(24)6-16(23)19(27)28/h1-4,12,14-16,22,24H,5-10H2,(H,21,26)(H,27,28)/t12-,14?,15-,16-/m0/s1	C19H24ClN3O5S	441.929	8	4	144.27	3	9	0	-1.9388	0.872689999999999	2.45	0.538	80.0536	113.072	3.0807	384.053544240407
Cond-004535	NPD4593	NPD4593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.24428997	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NC(C)c4ccccc4)cc31)c2=O	InChI=1S/C30H25N3O5/c1-17(18-7-5-4-6-8-18)32-25(34)16-38-19-9-11-23-22(15-19)20-13-14-31-27-21-10-12-24(36-2)29(37-3)26(21)30(35)33(23)28(20)27/h4-15,17H,16H2,1-3H3,(H,32,34)	C30H25N3O5	507.537	8	1	91.68	6	8	1	-1.7282	4.80749	3.88	5.162	44.9923	147.1297	3.67490000000001	438.828237588108
Cond-004536	NPD4594	NPD4594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5841584158	OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1c(O)nc2ccccc2c1=O	InChI=1S/C19H17N3O6/c23-12-7-5-11(6-8-12)9-15(18(26)27)20-16(24)10-22-17(25)13-3-1-2-4-14(13)21-19(22)28/h1-8,15,23H,9-10H2,(H,20,24)(H,21,28)(H,26,27)/t15-/m0/s1	C19H17N3O6	383.355	9	4	139.53	3	7	0	-1.8294	1.33718	2.56	2.136	45.8946	102.6376	2.6815	337.677844309735
Cond-004537	NPD4595	NPD4595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8094515924	C[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1)C(=O)NCc1cccc(Cl)c1	InChI=1S/C23H21ClN4O2/c1-13-21-18(17-8-3-4-9-19(17)28-21)11-20(26-13)23(30)27-14(2)22(29)25-12-15-6-5-7-16(24)10-15/h3-11,14,28H,12H2,1-2H3,(H,25,29)(H,27,30)/t14-/m0/s1	C23H21ClN4O2	420.891	6	3	86.88	4	7	0	-0.6004	3.8443	3.22	4.452	43.4648	122.5124	3.0809	361.115786587958
Cond-004538	NPD4596	NPD4596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.517292454	COC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1	InChI=1S/C21H19NO6/c1-12-16-9-8-15(26-2)10-18(16)28-21(25)17(12)11-19(23)22-14-6-4-13(5-7-14)20(24)27-3/h4-10H,11H2,1-3H3,(H,22,23)	C21H19NO6	381.379	7	1	90.93	3	7	0	-0.0131000000000011	4.35516	3	3.175	50.9671	106.7362	2.7637	350.276293145135
Cond-004539	NPD4597	NPD4597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.347275286	COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)cc1	InChI=1S/C21H21NO6/c1-12-15-7-8-17(23)19(25)20(15)28-21(26)16(12)11-18(24)22-10-9-13-3-5-14(27-2)6-4-13/h3-8,23,25H,9-11H2,1-2H3,(H,22,24)	C21H21NO6	383.395	7	3	105.09	3	7	0	-0.6777	3.09987	3	2.421	53.2719	106.5673	2.8067	352.912751845935
Cond-004540	NPD4598	NPD4598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8984030567	Cc1cc(cc(C)c1)N1COc2c(C1)cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C	InChI=1S/C28H27NO3/c1-17-10-18(2)12-23(11-17)29-15-22-14-24-19(3)25(13-21-8-6-5-7-9-21)28(30)32-27(24)20(4)26(22)31-16-29/h5-12,14H,13,15-16H2,1-4H3	C28H27NO3	425.519	4	0	38.77	5	3	1	2.8859	6.35742000000001	4.1	8.435	54.2427	130.094	3.3137	406.728129322119
Cond-004541	NPD4599	NPD4599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.615724915	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)c12	InChI=1S/C28H32N2O6/c1-18-14-25(32)35-27-21-8-9-28(2,3)36-22(21)15-23(26(18)27)34-17-24(31)29-20-6-4-19(5-7-20)16-30-10-12-33-13-11-30/h4-7,14-15H,8-13,16-17H2,1-3H3,(H,29,31)	C28H32N2O6	492.563	8	1	86.33	5	7	0	0.400799999999998	5.27555000000001	3.66	3.387	87.2222	141.2087	3.6756	460.268487033569
Cond-004542	NPD460	NPD460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.657025198	COC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1ccccc1Br	InChI=1S/C19H17BrN2O2/c1-24-19(23)16-10-13-11-6-3-5-9-15(11)21-18(13)17(22-16)12-7-2-4-8-14(12)20/h2-9,16-17,21-22H,10H2,1H3	C19H17BrN2O2	385.254	4	2	54.12	4	3	0	-0.0858999999999999	3.50648	3	4.738	38.7736	99.9387	2.4993	292.82025497769
Cond-004543	NPD4600	NPD4600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5467524633	CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCC(=O)O)c12	InChI=1S/C21H25NO7/c1-4-5-12-8-18(26)28-20-13-6-7-21(2,3)29-14(13)9-15(19(12)20)27-11-16(23)22-10-17(24)25/h8-9H,4-7,10-11H2,1-3H3,(H,22,23)(H,24,25)	C21H25NO7	403.426	8	2	111.16	3	8	0	-0.774199999999998	3.52506000000001	2.89	2.328	79.099	110.4335	2.9514	377.875895948096
Cond-004544	NPD4601	NPD4601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.6017874876	O=C(NCC1CCCO1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C24H19N3O3/c28-23(25-13-14-6-5-11-30-14)19-12-18-15-7-3-4-10-20(15)27-22(18)21(26-19)16-8-1-2-9-17(16)24(27)29/h1-4,7-10,12,14H,5-6,11,13H2,(H,25,28)	C24H19N3O3	397.426	6	1	73.22	6	4	0	-2.0269	4.59437	3.44	4.355	35.1476	119.6982	2.8411	336.281252534185
Cond-004545	NPD4602	NPD4602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3881783186	Cc1c(CC(=O)NCCc2cscc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C23H25NO4S/c1-14-17-10-16-4-7-23(2,3)28-19(16)12-20(17)27-22(26)18(14)11-21(25)24-8-5-15-6-9-29-13-15/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,24,25)	C23H25NO4S	411.514	5	1	92.87	4	6	0	1.6433	5.34596000000001	3.33	4.313	73.3247	119.6517	3.069	378.713291754147
Cond-004546	NPD4604	NPD4604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4653465347	CC(C)C[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)NCC(=O)O	InChI=1S/C18H23N5O4/c1-11(2)9-13(16(26)19-10-15(24)25)21-18(27)23-8-7-22-14-6-4-3-5-12(14)20-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,26)(H,21,27)(H,24,25)/t13-/m0/s1	C18H23N5O4	373.406	9	3	116.56	3	9	0	-0.9963	2.75276	2.45	1.76	63.5302	105.2482	2.7518	332.70430280148
Cond-004547	NPD4605	NPD4605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0457331906	[C@@H]1(C[C@H](CC(C)C)N[C@@]21C(=O)Nc1c2cc(C)cc1)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C26H31N3O4/c1-5-33-24(31)17-7-9-18(10-8-17)27-23(30)21-14-19(12-15(2)3)29-26(21)20-13-16(4)6-11-22(20)28-25(26)32/h6-11,13,15,19,21,29H,5,12,14H2,1-4H3,(H,27,30)(H,28,32)/t19-,21+,26-/m0/s1	C26H31N3O4	449.542	7	3	96.53	4	8	1	-0.182299999999999	3.98371000000001	3.55	5.545	72.4612	128.6561	3.4848	431.44928328968
Cond-004548	NPD4606	NPD4606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	107.051578512	CCCCCCc1c(C)c2cc3c(occ3C(C)(C)C)c(C)c2oc1=O	InChI=1S/C23H30O3/c1-7-8-9-10-11-16-14(2)17-12-18-19(23(4,5)6)13-25-20(18)15(3)21(17)26-22(16)24/h12-13H,7-11H2,1-6H3	C23H30O3	354.482	3	0	39.44	3	6	1	1.6333	6.97319000000001	3.66	7.024	68.3307	109.784	2.9416	358.046656890219
Cond-004549	NPD4607	NPD4607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3483173972	COc1c(OC)cc2CN(CCc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C21H24N2O5/c1-27-18-11-15-8-9-23(13-16(15)12-19(18)28-2)21(26)22-17(20(24)25)10-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,22,26)(H,24,25)/t17-/m0/s1	C21H24N2O5	384.426	7	2	88.1	3	8	0	-0.786999999999998	2.36179	3	3.889	53.8579	106.2485	2.8908	357.755744054341
Cond-004550	NPD4608	NPD4608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1097287023	CN(C)CCCNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O	InChI=1S/C21H26N2O4/c1-12-9-16-19(20-18(12)13(2)11-26-20)14(3)15(21(25)27-16)10-17(24)22-7-6-8-23(4)5/h9,11H,6-8,10H2,1-5H3,(H,22,24)	C21H26N2O4	370.442	6	1	71.78	3	7	0	1.1104	3.19131	3.11	2.014	70.9136	106.7627	2.8751	351.60197605458
Cond-004551	NPD4609	NPD4609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5900906494	Cc1c(CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)c(Cl)cc12	InChI=1S/C23H21ClN2O5/c1-12-15-6-17(24)19(27)8-20(15)31-23(30)16(12)7-22(29)25-9-13-5-14(11-25)18-3-2-4-21(28)26(18)10-13/h2-4,6,8,13-14,27H,5,7,9-11H2,1H3/t13-,14+/m1/s1	C23H21ClN2O5	440.876	7	1	87.15	5	3	0	-0.456200000000001	3.29315	3.11	0.929	91.782	116.7778	3.0348	391.109404974108
Cond-004552	NPD461	NPD461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.9256942707	CCC(=O)N(CCC(C1CCOC(C)(C)C1)c1c(OC)cccc1)Cc1ccc(OC)cc1	InChI=1S/C28H39NO4/c1-6-27(30)29(20-21-11-13-23(31-4)14-12-21)17-15-24(22-16-18-33-28(2,3)19-22)25-9-7-8-10-26(25)32-5/h7-14,22,24H,6,15-20H2,1-5H3	C28H39NO4	453.614	5	0	48	3	11	2	-1.0315	5.71589000000001	3.99	5.993	79.109	134.296	3.7616	461.677108227481
Cond-004553	NPD4610	NPD4610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4761904762	CC(CCc1ccco1)NC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C24H25NO5/c1-14-13-29-21-12-22-20(11-19(14)21)16(3)18(24(27)30-22)8-9-23(26)25-15(2)6-7-17-5-4-10-28-17/h4-5,10-13,15H,6-9H2,1-3H3,(H,25,26)	C24H25NO5	407.459	6	1	81.68	4	8	0	0.392200000000001	5.21599000000001	3.44	3.707	61.9286	116.1927	3.0621	372.754020322174
Cond-004554	NPD4611	NPD4611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8728897716	O=C(NC1CCCC1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C24H19N3O2/c28-23(25-14-7-1-2-8-14)19-13-18-15-9-5-6-12-20(15)27-22(18)21(26-19)16-10-3-4-11-17(16)24(27)29/h3-6,9-14H,1-2,7-8H2,(H,25,28)	C24H19N3O2	381.427	5	1	63.99	6	3	1	-2.472	5.35797	3.55	5.261	29.9273	118.1132	2.7824	327.491025833624
Cond-004555	NPD4612	NPD4612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1693142972	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3c(cccc3)C(=O)N)c(C)c1c2	InChI=1S/C24H22N2O5/c1-12-14(3)30-20-11-21-18(10-17(12)20)13(2)15(24(29)31-21)8-9-22(27)26-19-7-5-4-6-16(19)23(25)28/h4-7,10-11H,8-9H2,1-3H3,(H2,25,28)(H,26,27)	C24H22N2O5	418.442	7	3	111.63	4	6	0	0.3825	4.832	3.33	3.627	56.8235	121.4606	3.0759	378.477863128741
Cond-004556	NPD4613	NPD4613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.258115209	CCCOC(=O)c1ccc(cc1)N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1	InChI=1S/C29H27NO5/c1-3-15-33-28(31)21-9-11-22(12-10-21)30-17-25-26(34-18-30)14-13-23-19(2)24(29(32)35-27(23)25)16-20-7-5-4-6-8-20/h4-14H,3,15-18H2,1-2H3	C29H27NO5	469.528	6	0	65.07	5	7	1	0.643699999999999	5.72949000000001	3.99	7.805	57.5506	138.103	3.529	438.968108648308
Cond-004557	NPD4614	NPD4614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2587326273	COc1cc(NC(=O)Cc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)c(OC)cc1	InChI=1S/C24H23NO6/c1-12-14(3)30-21-11-22-17(9-16(12)21)13(2)18(24(27)31-22)10-23(26)25-19-8-15(28-4)6-7-20(19)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)	C24H23NO6	421.443	7	1	87	4	6	0	0.851300000000001	5.3602	3.33	3.421	59.1482	121.4297	3.0778	378.907788321935
Cond-004558	NPD4615	NPD4615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.7450639513	COc1cc2c([nH]cc2CCNC(=O)Cc2c(C)c3ccc(OCC(=C)C)c(C)c3oc2=O)cc1	InChI=1S/C28H30N2O5/c1-16(2)15-34-25-9-7-21-17(3)22(28(32)35-27(21)18(25)4)13-26(31)29-11-10-19-14-30-24-8-6-20(33-5)12-23(19)24/h6-9,12,14,30H,1,10-11,13,15H2,2-5H3,(H,29,31)	C28H30N2O5	474.548	7	2	89.65	4	10	0	1.4759	5.55787000000001	3.77	3.495	77.7053	142.5737	3.6395	447.661801632208
Cond-004559	NPD4616	NPD4616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6888264438	COc1cc2c([nH]cc2CCNC(=O)CCc2c(C)c3ccc(OC(=O)C)c(C)c3oc2=O)cc1	InChI=1S/C27H28N2O6/c1-15-20-6-9-24(34-17(3)30)16(2)26(20)35-27(32)21(15)7-10-25(31)28-12-11-18-14-29-23-8-5-19(33-4)13-22(18)23/h5-6,8-9,13-14,29H,7,10-12H2,1-4H3,(H,28,31)	C27H28N2O6	476.521	8	2	106.72	4	10	0	0.445700000000001	4.99218000000001	3.55	3.419	73.5263	138.4607	3.5573	439.156043706902
Cond-004560	NPD4617	NPD4617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3540155116	COC(=O)C1CC2C(Nc3c2cccc3)C(N1)c1cc(CSc2nnc(o2)c2ccccc2)c(OC)cc1	InChI=1S/C29H28N4O4S/c1-35-24-13-12-18(14-19(24)16-38-29-33-32-27(37-29)17-8-4-3-5-9-17)25-26-21(15-23(31-25)28(34)36-2)20-10-6-7-11-22(20)30-26/h3-14,21,23,25-26,30-31H,15-16H2,1-2H3	C29H28N4O4S	528.622	8	2	123.81	6	8	1	-0.741699999999998	5.78696000000001	3.66	6.855	57.4022	147.0364	3.82460000000001	458.420727929047
Cond-004561	NPD4619	NPD4619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	74.5697329377	O=c1cccc2[C@H]3C[C@H](CN(CCOc4ccc5cc(c(=O)oc5c4)c4ccccc4)C3)Cn12	InChI=1S/C28H26N2O4/c31-27-8-4-7-25-22-13-19(17-30(25)27)16-29(18-22)11-12-33-23-10-9-21-14-24(20-5-2-1-3-6-20)28(32)34-26(21)15-23/h1-10,14-15,19,22H,11-13,16-18H2/t19-,22+/m1/s1	C28H26N2O4	454.517	6	0	59.08	6	5	1	-0.7043	4.05445000000001	3.88	5.178	81.2706	131.768	3.3636	425.058657530047
Cond-004562	NPD4620	NPD4620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6831683168	[C@@H](CNC(=O)[C@@H](N)C(C)C)(CC(=O)N1CCC(CC1)C(=O)O)c1ccc(Cl)cc1	InChI=1S/C21H30ClN3O4/c1-13(2)19(23)20(27)24-12-16(14-3-5-17(22)6-4-14)11-18(26)25-9-7-15(8-10-25)21(28)29/h3-6,13,15-16,19H,7-12,23H2,1-2H3,(H,24,27)(H,28,29)/t16-,19-/m0/s1	C21H30ClN3O4	423.934	7	4	112.73	2	10	0	-2.0564	2.47029	2.89	1.778	80.464	114.8159	3.2489	403.70272143478
Cond-004563	NPD4621	NPD4621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4846625767	COc1ccc(cc1OC)c1cc2ccc(OCCOc3cc4c(cc3)cc(c(=O)o4)c3ccc(OC)c(OC)c3)cc2oc1=O	InChI=1S/C36H30O10/c1-39-29-11-7-21(17-33(29)41-3)27-15-23-5-9-25(19-31(23)45-35(27)37)43-13-14-44-26-10-6-24-16-28(36(38)46-32(24)20-26)22-8-12-30(40-2)34(18-22)42-4/h5-12,15-20H,13-14H2,1-4H3	C36H30O10	622.617	10	0	107.98	6	11	2	-0.130000000000003	7.25104	4.32	6.704	72.7062	175.696	4.4284	559.192080820013
Cond-004564	NPD4622	NPD4622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.7135981928	CCc1ccc(cc1)N1COc2c(C1)cc1c(cc(=O)oc1c2C)c1ccccc1	InChI=1S/C26H23NO3/c1-3-18-9-11-21(12-10-18)27-15-20-13-23-22(19-7-5-4-6-8-19)14-24(28)30-26(23)17(2)25(20)29-16-27/h4-14H,3,15-16H2,1-2H3	C26H23NO3	397.466	4	0	38.77	5	3	1	0.8995	6.27928000000001	3.88	8.297	44.6309	122.973	3.0319	372.136160070385
Cond-004565	NPD4623	NPD4623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7225714215	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)NCCCC(=O)O	InChI=1S/C20H19NO6/c1-12-16(26-11-17(22)21-10-4-7-18(23)24)9-8-14-13-5-2-3-6-15(13)20(25)27-19(12)14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,21,22)(H,23,24)	C20H19NO6	369.368	7	2	101.93	3	8	0	-0.9212	3.11181	2.89	3.225	44.8087	102.305	2.6658	335.616767220068
Cond-004566	NPD4625	NPD4625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8839734567	CC1(C)CCc2c3oc(=O)c4c(CCCC4)c3c(OCC(=O)NCCCCCC(=O)O)cc2O1	InChI=1S/C26H33NO7/c1-26(2)12-11-18-19(34-26)14-20(32-15-21(28)27-13-7-3-4-10-22(29)30)23-16-8-5-6-9-17(16)25(31)33-24(18)23/h14H,3-13,15H2,1-2H3,(H,27,28)(H,29,30)	C26H33NO7	471.543	8	2	111.16	4	10	0	-1.7558	5.41227000000001	3.44	3.296	93.2665	132.4665	3.5473	451.99936037663
Cond-004567	NPD4626	NPD4626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3479011068	CSC[C@H](NC(=O)COc1ccc2c3c(CCCC3)c(=O)oc2c1C)C(=O)O	InChI=1S/C20H23NO6S/c1-11-16(26-9-17(22)21-15(10-28-2)19(23)24)8-7-13-12-5-3-4-6-14(12)20(25)27-18(11)13/h7-8,15H,3-6,9-10H2,1-2H3,(H,21,22)(H,23,24)/t15-/m0/s1	C20H23NO6S	405.465	7	2	127.23	3	8	0	-0.506799999999997	3.37989	2.78	2.687	77.5933	111.1175	2.9153	370.298708679268
Cond-004568	NPD4627	NPD4627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.369887374	COc1c2c(C)c(CCC(=O)N3CCCC(C3)C(=O)O)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C25H31NO7/c1-14-16(7-8-20(27)26-11-5-6-15(13-26)23(28)29)24(30)32-22-17-9-10-25(2,3)33-18(17)12-19(31-4)21(14)22/h12,15H,5-11,13H2,1-4H3,(H,28,29)	C25H31NO7	457.516	8	1	102.37	4	6	0	0.402400000000002	4.64746000000001	3.33	2.14	96.1771	126.7278	3.4064	434.703375750764
Cond-004569	NPD4628	NPD4628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5839126117	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NC4CC4)cc31)c2=O	InChI=1S/C26H23N3O5/c1-13(25(30)28-14-4-5-14)34-15-6-8-19-18(12-15)16-10-11-27-22-17-7-9-20(32-2)24(33-3)21(17)26(31)29(19)23(16)22/h6-14H,4-5H2,1-3H3,(H,28,30)	C26H23N3O5	457.478	8	1	91.68	6	7	0	-2.2595	3.93829	3.44	2.863	49.5763	130.6677	3.2403	388.453675187041
Cond-004570	NPD4629	NPD4629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5178510043	Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)c1cc(Cl)c(F)cc1	InChI=1S/C19H15ClFNO3/c1-10-11(2)19(23)25-18-13(10)4-6-17-14(18)8-22(9-24-17)12-3-5-16(21)15(20)7-12/h3-7H,8-9H2,1-2H3	C19H15ClFNO3	359.779	4	0	38.77	4	1	0	2.3697	5.84306	2.89	4.15	45.1256	99.67	2.4233	303.508729113258
Cond-004571	NPD463	NPD463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.312383323	O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C26H21NO6/c28-24(13-14-27-26(30)31-17-18-7-3-1-4-8-18)32-20-11-12-21-22(19-9-5-2-6-10-19)16-25(29)33-23(21)15-20/h1-12,15-16H,13-14,17H2,(H,27,30)	C26H21NO6	443.448	7	1	90.93	4	10	1	-0.0427	4.47167	3.55	7.911	44.3732	123.9657	3.23060000000001	405.590381471269
Cond-004572	NPD4630	NPD4630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	84.3047581979	CCCN1C(=O)C2(N(CCc3c2[nH]c2c3cccc2)C(=O)NCC)c2ccccc12	InChI=1S/C24H26N4O2/c1-3-14-27-20-12-8-6-10-18(20)24(22(27)29)21-17(13-15-28(24)23(30)25-4-2)16-9-5-7-11-19(16)26-21/h5-12,26H,3-4,13-15H2,1-2H3,(H,25,30)	C24H26N4O2	402.489	6	2	68.44	5	5	0	-1.573	3.28498	3.44	3.973	55.6641	120.9537	3.0768	367.017162144191
Cond-004573	NPD4631	NPD4631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.480712166	COCCCNC(=O)COc1c2c(C)c(C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C22H29NO6/c1-13-14(2)21(25)28-20-15-7-8-22(3,4)29-16(15)11-17(19(13)20)27-12-18(24)23-9-6-10-26-5/h11H,6-10,12H2,1-5H3,(H,23,24)	C22H29NO6	403.469	7	1	83.09	3	8	0	0.7202	4.08686000000001	3.11	2.262	83.153	114.6737	3.0766	389.018112574202
Cond-004574	NPD4632	NPD4632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.2105263158	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)NCCCN1CCCC1=O	InChI=1S/C27H24N4O4/c32-23(28-11-4-14-30-13-3-7-24(30)33)16-35-17-8-9-22-21(15-17)19-10-12-29-25-18-5-1-2-6-20(18)27(34)31(22)26(19)25/h1-2,5-6,8-10,12,15H,3-4,7,11,13-14,16H2,(H,28,32)	C27H24N4O4	468.504	8	1	93.53	6	8	0	-2.7667	4.95936000000001	3.55	3.082	53.0146	139.6092	3.3793	405.319734619714
Cond-004575	NPD4634	NPD4634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.830685703	COc1cc2c([nH]cc2CCNC(=O)COc2c3c(C)cc(=O)oc3c3CCC(C)(C)Oc3c2)cc1	InChI=1S/C28H30N2O6/c1-16-11-25(32)35-27-19-7-9-28(2,3)36-22(19)13-23(26(16)27)34-15-24(31)29-10-8-17-14-30-21-6-5-18(33-4)12-20(17)21/h5-6,11-14,30H,7-10,15H2,1-4H3,(H,29,31)	C28H30N2O6	490.548	8	2	98.88	5	8	0	0.278699999999999	5.31615000000001	3.66	3.545	78.9239	143.5917	3.6326	446.732028332769
Cond-004576	NPD4635	NPD4635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.066807401	COc1cc2c([nH]cc2CCNC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)cc1	InChI=1S/C28H28N2O5/c1-15-17(3)34-25-13-26-22(12-21(15)25)16(2)20(28(32)35-26)6-8-27(31)29-10-9-18-14-30-24-7-5-19(33-4)11-23(18)24/h5,7,11-14,30H,6,8-10H2,1-4H3,(H,29,31)	C28H28N2O5	472.532	7	2	93.56	5	8	0	0.812300000000001	5.26640000000001	3.77	3.778	69.1618	140.6657	3.5309	424.405342931408
Cond-004577	NPD4636	NPD4636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.317092396	COc1cc(OC)c(CNC(=O)Cc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C24H23NO6/c1-13-12-30-21-10-22-18(8-17(13)21)14(2)19(24(27)31-22)9-23(26)25-11-15-5-6-16(28-3)7-20(15)29-4/h5-8,10,12H,9,11H2,1-4H3,(H,25,26)	C24H23NO6	421.443	7	1	87	4	7	0	0.423399999999999	4.64499	3.33	2.867	58.1279	119.9057	3.0778	378.907788321935
Cond-004578	NPD4637	NPD4637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.332766398	CC(Oc1ccc2c(cc(=O)oc2c1C)c1ccccc1)C(=O)NCCCn1ccnc1	InChI=1S/C25H25N3O4/c1-17-22(31-18(2)25(30)27-11-6-13-28-14-12-26-16-28)10-9-20-21(15-23(29)32-24(17)20)19-7-4-3-5-8-19/h3-5,7-10,12,14-16,18H,6,11,13H2,1-2H3,(H,27,30)	C25H25N3O4	431.484	7	1	82.45	4	9	1	-0.429900000000001	4.34309000000001	3.44	5.369	54.3333	125.7507	3.2579	397.980381262213
Cond-004579	NPD4638	NPD4638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5235626651	Cc1c(CC(=O)N2CCC(CC2)C(=O)N)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C26H32N2O5/c1-16-19-13-18-5-10-26(8-3-2-4-9-26)33-21(18)15-22(19)32-25(31)20(16)14-23(29)28-11-6-17(7-12-28)24(27)30/h13,15,17H,2-12,14H2,1H3,(H2,27,30)	C26H32N2O5	452.543	7	2	98.93	5	4	0	-1.7786	4.57376000000001	3.55	2.632	88.8513	128.8544	3.4211	433.059208482875
Cond-004580	NPD4639	NPD4639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2818991098	CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCCO)c12	InChI=1S/C22H29NO6/c1-4-6-14-11-19(26)28-21-15-7-8-22(2,3)29-16(15)12-17(20(14)21)27-13-18(25)23-9-5-10-24/h11-12,24H,4-10,13H2,1-3H3,(H,23,25)	C22H29NO6	403.469	7	2	94.09	3	9	0	-1.0577	3.82286000000001	3.11	2.595	82.2183	114.5005	3.0766	389.018112574202
Cond-004581	NPD464	NPD464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4424601774	CC(=O)OC[C@H]1O[C@@H](Sc2cccc3cccnc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C35H41NO17S/c1-16(37)44-14-24-28(46-18(3)39)30(47-19(4)40)32(49-21(6)42)34(51-24)53-29-25(15-45-17(2)38)52-35(33(50-22(7)43)31(29)48-20(5)41)54-26-12-8-10-23-11-9-13-36-27(23)26/h8-13,24-25,28-35H,14-15H2,1-7H3/t24-,25-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1	C35H41NO17S	779.762	18	0	249.98	4	20	2	-0.5557	1.61358	3.22	2.495	137.6261	179.726	5.35090000000001	689.992219568638
Cond-004582	NPD4640	NPD4640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6917388343	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cc(Br)cc1)C(C)C)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C24H26BrN3O4/c1-4-32-22(30)14-5-8-16(9-6-14)26-21(29)18-12-20(13(2)3)28-24(18)17-11-15(25)7-10-19(17)27-23(24)31/h5-11,13,18,20,28H,4,12H2,1-3H3,(H,26,29)(H,27,31)/t18-,20-,24+/m1/s1	C24H26BrN3O4	500.385	7	3	96.53	4	7	0	-0.1911	4.32809	3.22	4.665	71.1064	128.0991	3.37800000000001	416.140933015513
Cond-004583	NPD4641	NPD4641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4210853098	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)Nc3ccccn3)c(C)c1c2	InChI=1S/C22H20N2O4/c1-11-14(4)27-20-13(3)21-16(9-15(11)20)12(2)17(22(26)28-21)10-19(25)24-18-7-5-6-8-23-18/h5-9H,10H2,1-4H3,(H,23,24,25)	C22H20N2O4	376.405	6	1	81.43	4	4	0	1.5969	4.76602	3.22	3.525	50.0187	109.7607	2.7784	337.732125877246
Cond-004584	NPD4642	NPD4642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2652322542	Cc1coc2c3c(oc(=O)c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c3C)cc(C)c12	InChI=1S/C22H25N3O7/c1-10-7-15-18(19-17(10)11(2)9-31-19)12(3)13(21(29)32-15)8-16(26)25-14(20(27)28)5-4-6-24-22(23)30/h7,9,14H,4-6,8H2,1-3H3,(H,25,26)(H,27,28)(H3,23,24,30)/t14-/m0/s1	C22H25N3O7	443.45	10	5	160.96	3	10	0	-0.431600000000001	2.14131	2.78	0.626	75.3063	116.9686	3.2059	400.992483588697
Cond-004585	NPD4643	NPD4643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3874728315	Cc1coc2c3c(oc(=O)c(CC(=O)NCCCc4ccco4)c3C)cc(C)c12	InChI=1S/C23H23NO5/c1-13-10-18-21(22-20(13)14(2)12-28-22)15(3)17(23(26)29-18)11-19(25)24-8-4-6-16-7-5-9-27-16/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,24,25)	C23H23NO5	393.432	6	1	81.68	4	7	0	0.9825	4.46541	3.33	3.401	57.9809	110.6207	2.9212	355.458035696307
Cond-004586	NPD4644	NPD4644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4429313216	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(C2)c1ccc(F)cc1F	InChI=1S/C22H15F2NO3/c1-12-20-13(10-25(11-27-20)19-7-6-14(23)9-18(19)24)8-17-15-4-2-3-5-16(15)22(26)28-21(12)17/h2-9H,10-11H2,1H3	C22H15F2NO3	379.356	4	0	38.77	5	1	1	1.3865	5.80959	3.22	5.874	27.002	106.474	2.5467	317.723797968331
Cond-004587	NPD4645	NPD4645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8282025819	CCC(C)NC(=O)COc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C26H25N3O5/c1-5-14(2)28-21(30)13-34-15-6-8-19-18(12-15)16-10-11-27-23-17-7-9-20(32-3)25(33-4)22(17)26(31)29(19)24(16)23/h6-12,14H,5,13H2,1-4H3,(H,28,30)	C26H25N3O5	459.494	8	1	91.68	5	8	0	-1.9649	4.18589	3.44	3.035	53.8026	132.8037	3.3489	400.810133887841
Cond-004588	NPD4646	NPD4646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.574812877	Cc1cc(C)c(cc1)n1c(O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C23H22N4O3/c1-12-7-8-17(13(2)11-12)27-22(29)18(21(28)26-23(27)30)20-19-15(9-10-24-20)14-5-3-4-6-16(14)25-19/h3-8,11,20,24-25,28H,9-10H2,1-2H3,(H,26,30)	C23H22N4O3	402.446	7	4	100.95	5	2	0	0.627199999999999	3.36290000000001	3.22	4.034	55.5022	118.8463	2.9516	355.874945518085
Cond-004589	NPD4647	NPD4647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.1717974181	O=C(NCc1ccc2OCOc2c1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C27H17N3O4/c31-26(28-13-15-9-10-22-23(11-15)34-14-33-22)20-12-19-16-5-3-4-8-21(16)30-25(19)24(29-20)17-6-1-2-7-18(17)27(30)32/h1-12H,13-14H2,(H,28,31)	C27H17N3O4	447.442	7	1	82.45	7	4	1	-1.5607	5.50556	3.66	5.316	27.0673	133.4312	3.0849	365.793598309146
Cond-004590	NPD4648	NPD4648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2224428997	O=C(NCCCc1ccccc1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C28H21N3O2/c32-27(29-16-8-11-18-9-2-1-3-10-18)23-17-22-19-12-6-7-15-24(19)31-26(22)25(30-23)20-13-4-5-14-21(20)28(31)33/h1-7,9-10,12-15,17H,8,11,16H2,(H,29,32)	C28H21N3O2	431.485	5	1	63.99	6	6	1	-1.4836	6.04817000000001	3.99	8.259	27.3722	135.4872	3.217	377.865588234691
Cond-004591	NPD4649	NPD4649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.1876861966	OCCN1CCN(CC1)C(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C25H22N4O3/c30-14-13-27-9-11-28(12-10-27)25(32)20-15-19-16-5-3-4-8-21(16)29-23(19)22(26-20)17-6-1-2-7-18(17)24(29)31/h1-8,15,30H,9-14H2	C25H22N4O3	426.467	7	1	78.67	6	4	0	-1.6471	3.43567000000001	3.44	3.078	48.6188	127.8203	3.0818	364.573997368219
Cond-004592	NPD465	NPD465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6165705098	OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1c(nc2c1nc[nH]c2=O)N1CCCCC1	InChI=1S/C15H21N5O5/c21-6-8-10(22)11(23)14(25-8)20-12-9(13(24)17-7-16-12)18-15(20)19-4-2-1-3-5-19/h7-8,10-11,14,21-23H,1-6H2,(H,16,17,24)/t8-,10-,11-,14-/m0/s1	C15H21N5O5	351.358	10	4	132.44	4	3	0	-3.0258	-0.72183	2.01	-1.157	66.344	92.3251	2.4082	296.05949302604
Cond-004593	NPD4650	NPD4650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4516388498	C[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C19H19NO6/c1-8-5-13-16(17-15(8)9(2)7-25-17)10(3)12(19(24)26-13)6-14(21)20-11(4)18(22)23/h5,7,11H,6H2,1-4H3,(H,20,21)(H,22,23)/t11-/m0/s1	C19H19NO6	357.357	7	2	105.84	3	5	0	0.8118	2.71271	2.78	1.711	60.727	95.8225	2.5679	320.957241295002
Cond-004594	NPD4651	NPD4651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.557678541	CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c(oc(C)c4C)c(C)c3oc2=O)cc1	InChI=1S/C26H26N2O5/c1-13-16(4)32-24-15(3)25-22(12-21(13)24)14(2)20(26(31)33-25)10-11-23(30)28-19-8-6-18(7-9-19)27-17(5)29/h6-9,12H,10-11H2,1-5H3,(H,27,29)(H,28,30)	C26H26N2O5	446.495	7	2	97.64	4	7	0	1.0344	5.71952000000001	3.55	3.836	67.75	130.8864	3.3577	413.069832380475
Cond-004595	NPD4652	NPD4652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7126536694	COc1cc2c([nH]cc2CCNC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)cc1	InChI=1S/C28H30N2O5/c1-16-20-11-17-7-9-28(2,3)35-24(17)14-25(20)34-27(32)21(16)13-26(31)29-10-8-18-15-30-23-6-5-19(33-4)12-22(18)23/h5-6,11-12,14-15,30H,7-10,13H2,1-4H3,(H,29,31)	C28H30N2O5	474.548	7	2	89.65	5	7	0	0.580499999999999	5.69765000000001	3.77	3.989	76.147	141.6567	3.5739	437.941801632208
Cond-004596	NPD4653	NPD4653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.031777557	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)Nc4ccc(NC(=O)C)cc4)cc31)c2=O	InChI=1S/C30H24N4O6/c1-16(35)32-17-4-6-18(7-5-17)33-25(36)15-40-19-8-10-23-22(14-19)20-12-13-31-27-21-9-11-24(38-2)29(39-3)26(21)30(37)34(23)28(20)27/h4-14H,15H2,1-3H3,(H,32,35)(H,33,36)	C30H24N4O6	536.535	10	2	120.78	6	9	0	-2.354	7.04505000000001	3.66	3.372	48.5616	158.8909	3.79040000000001	455.978765796036
Cond-004597	NPD4654	NPD4654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7183341973	COCCNC(=O)Cc1c(C)c2c3occ(c3c(C)cc2oc1=O)c1ccccc1	InChI=1S/C24H23NO5/c1-14-11-19-22(23-21(14)18(13-29-23)16-7-5-4-6-8-16)15(2)17(24(27)30-19)12-20(26)25-9-10-28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	7	0	0.4868	4.57339000000001	3.44	4.52	55.5243	118.1477	3.0191	370.117561621374
Cond-004598	NPD4655	NPD4655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0264664155	CC(C)CC(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)NC(Cc1ccccc1)C(=O)O	InChI=1S/C27H34N4O5/c1-16(2)14-20(24(32)29-21(26(34)35)15-18-10-6-5-7-11-18)30-27(36)31-22-13-9-8-12-19(22)28-25(33)23(31)17(3)4/h5-13,16-17,20-21,23H,14-15H2,1-4H3,(H,28,33)(H,29,32)(H,30,36)(H,34,35)	C27H34N4O5	494.583	9	4	131.33	3	12	2	-0.5914	4.71427000000001	3.44	6.606	80.901	143.24	3.84980000000001	478.252254824275
Cond-004599	NPD4656	NPD4656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0569973923	OC1=Nc2ccccc2N(C1)C(=O)NCCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C22H23N5O3/c28-20(23-11-9-15-13-25-17-6-2-1-5-16(15)17)10-12-24-22(30)27-14-21(29)26-18-7-3-4-8-19(18)27/h1-8,13,25H,9-12,14H2,(H,23,28)(H,24,30)(H,26,29)	C22H23N5O3	405.45	8	4	109.82	4	9	0	-1.6527	2.98056	3	2.736	52.1479	122.1062	3.0191	361.932179801185
Cond-004600	NPD4657	NPD4657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.679066962	CC(=CCOc1ccc2c(C)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1C)C	InChI=1S/C29H32N2O5/c1-17(2)10-11-35-25-9-8-22-18(3)23(29(34)36-28(22)19(25)4)13-27(33)30-14-20-12-21(16-30)24-6-5-7-26(32)31(24)15-20/h5-10,20-21H,11-16H2,1-4H3/t20-,21+/m1/s1	C29H32N2O5	488.575	7	0	76.15	5	6	0	1.3155	4.78886000000001	3.88	2.665	115.5379	140.726	3.7148	477.037786258075
Cond-004601	NPD4659	NPD4659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1894945983	COc1ccc(cc1OC)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H22N2O4/c1-25-17-7-6-14(9-18(17)26-2)20(24)21-10-13-8-15(12-21)16-4-3-5-19(23)22(16)11-13/h3-7,9,13,15H,8,10-12H2,1-2H3/t13-,15+/m1/s1	C20H22N2O4	354.4	6	0	59.08	4	4	0	-1.5061	2.16427	3	1.002	74.012	98.6855	2.6256	332.849532727913
Cond-004602	NPD466	NPD466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7246017361	CCC(=O)N1C(c2cc(OC)c(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)Nc2c1cccc2	InChI=1S/C27H32N2O5/c1-7-23(31)29-19-11-9-8-10-17(19)28-18-14-27(2,3)15-20(30)24(18)25(29)16-12-21(32-4)26(34-6)22(13-16)33-5/h8-13,25,28H,7,14-15H2,1-6H3	C27H32N2O5	464.553	7	1	77.1	4	6	0	-0.343100000000001	5.68447000000001	3.66	4.009	83.2354	134.1667	3.5846	446.538734407942
Cond-004603	NPD4660	NPD4660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8209839953	CCn1cc(C(=O)N[C@@H](C(C)C)C(=O)NCCc2c[nH]c3ccccc23)c(=O)c2c1cc1OCOc1c2	InChI=1S/C28H30N4O5/c1-4-32-14-20(26(33)19-11-23-24(12-22(19)32)37-15-36-23)27(34)31-25(16(2)3)28(35)29-10-9-17-13-30-21-8-6-5-7-18(17)21/h5-8,11-14,16,25,30H,4,9-10,15H2,1-3H3,(H,29,35)(H,31,34)/t25-/m0/s1	C28H30N4O5	502.562	9	3	112.76	5	10	0	-1.4564	4.41405000000001	3.55	4.375	78.9844	146.7109	3.7305	457.298863347742
Cond-004604	NPD4661	NPD4661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.345682664	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCC(C)C)ccc12	InChI=1S/C22H23NO5/c1-14(2)12-23-21(24)13-27-17-8-9-18-19(11-22(25)28-20(18)10-17)15-4-6-16(26-3)7-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,24)	C22H23NO5	381.422	6	1	73.86	3	8	0	-0.383600000000001	3.74887	3.22	4.032	55.2335	109.7347	2.8889	361.418509771241
Cond-004605	NPD4662	NPD4662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8410530237	CC(=CCOc1ccc2c(C)c(CC(=O)NCC(O)c3ccccc3)c(=O)oc2c1C)C	InChI=1S/C26H29NO5/c1-16(2)12-13-31-23-11-10-20-17(3)21(26(30)32-25(20)18(23)4)14-24(29)27-15-22(28)19-8-6-5-7-9-19/h5-12,22,28H,13-15H2,1-4H3,(H,27,29)	C26H29NO5	435.512	6	2	84.86	3	9	0	1.5841	4.68458000000001	3.66	4.834	74.2737	127.7865	3.4095	427.965989573908
Cond-004606	NPD4663	NPD4663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6523908109	CCCOc1c(OCC)cc(cc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C29H24N2O3/c1-3-15-34-24-14-13-18(16-25(24)33-4-2)22-17-30-27-19-9-5-6-10-20(19)29(32)31-23-12-8-7-11-21(23)26(22)28(27)31/h5-14,16-17H,3-4,15H2,1-2H3	C29H24N2O3	448.512	5	0	53.35	6	6	1	-0.8154	6.77809	4.1	6.867	34.1927	139.584	3.3598	395.591498053753
Cond-004607	NPD4664	NPD4664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2782717935	COC(=O)Cc1c(C)c2ccc(O)c(CNCCCN3CCCC3=O)c2oc1=O	InChI=1S/C21H26N2O6/c1-13-14-6-7-17(24)16(12-22-8-4-10-23-9-3-5-18(23)25)20(14)29-21(27)15(13)11-19(26)28-2/h6-7,22,24H,3-5,8-12H2,1-2H3	C21H26N2O6	402.441	8	2	105.17	3	9	0	-1.3368	2.38767	2.89	1.007	78.7371	111.2777	2.9925	380.082429455702
Cond-004608	NPD4665	NPD4665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1714508125	COc1cc(ccc1OCCCN1CCCCC1c1cnccc1)C(=O)C	InChI=1S/C22H28N2O3/c1-17(25)18-9-10-21(22(15-18)26-2)27-14-6-13-24-12-4-3-8-20(24)19-7-5-11-23-16-19/h5,7,9-11,15-16,20H,3-4,6,8,12-14H2,1-2H3	C22H28N2O3	368.469	5	0	51.66	3	8	0	-1.6142	3.91619000000001	3.33	3.401	51.7842	107.756	2.9573	360.107733979886
Cond-004609	NPD4666	NPD4666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.752514591	COc1cc2c([nH]cc2CCNC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C28H24N2O5/c1-33-20-8-10-25-24(13-20)19(16-30-25)11-12-29-27(31)17-34-21-7-9-22-23(18-5-3-2-4-6-18)15-28(32)35-26(22)14-21/h2-10,13-16,30H,11-12,17H2,1H3,(H,29,31)	C28H24N2O5	468.501	7	2	89.65	5	9	1	-1.1213	4.74016	3.77	6.085	48.7175	138.3727	3.4449	419.132425529808
Cond-004610	NPD4667	NPD4667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9598113999	COc1ccc(CNC(=O)Cc2c(C)c3cc4c(OC5(CCCCC5)CC4)cc3oc2=O)cc1OC	InChI=1S/C29H33NO6/c1-18-21-14-20-9-12-29(10-5-4-6-11-29)36-24(20)16-25(21)35-28(32)22(18)15-27(31)30-17-19-7-8-23(33-2)26(13-19)34-3/h7-8,13-14,16H,4-6,9-12,15,17H2,1-3H3,(H,30,31)	C29H33NO6	491.575	7	1	83.09	5	7	0	-0.5383	5.84396000000001	3.88	4.689	81.8844	140.9927	3.7167	466.567711451269
Cond-004611	NPD4668	NPD4668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.282379238	[C@H]12CCCCN1C[C@@H]1C[C@@H]2C=C2CCCN([C@@H]12)S(=O)(=O)c1ccc(NC(=O)C)cc1	InChI=1S/C23H31N3O3S/c1-16(27)24-20-7-9-21(10-8-20)30(28,29)26-12-4-5-17-13-18-14-19(23(17)26)15-25-11-3-2-6-22(18)25/h7-10,13,18-19,22-23H,2-6,11-12,14-15H2,1H3,(H,24,27)/t18-,19-,22+,23+/m0/s1	C23H31N3O3S	429.576	6	1	78.1	5	4	0	-2.9814	3.94087000000001	3.22	2.239	83.9192	114.3547	3.2303	398.369502871519
Cond-004612	NPD4669	NPD4669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2748199302	COc1cc(OC)c2c(oc(=O)c(CC(=O)N3CCC(O)CC3)c2C)c1	InChI=1S/C19H23NO6/c1-11-14(10-17(22)20-6-4-12(21)5-7-20)19(23)26-16-9-13(24-2)8-15(25-3)18(11)16/h8-9,12,21H,4-7,10H2,1-3H3	C19H23NO6	361.389	7	1	85.3	3	5	0	-1.1396	2.32167	2.78	0.817	67.5046	98.4548	2.6539	337.130158696602
Cond-004613	NPD467	NPD467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8329676619	CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)\C(=O)NCCC(=O)O	InChI=1S/C21H22N2O5/c1-2-28-18-11-7-6-10-16(18)14-17(21(27)22-13-12-19(24)25)23-20(26)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b17-14+	C21H22N2O5	382.41	7	3	104.73	2	11	1	-1.2434	2.49828	3	4.483	52.6196	106.9397	2.9134	364.839285353541
Cond-004614	NPD4670	NPD4670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7867081833	[C@@H]1(C[C@@H]2CCCN2[C@@]21C(=O)Nc1c2cc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C24H26ClN3O3/c1-13-9-14(2)21-17(10-13)24(23(30)27-21)18(12-16-5-4-8-28(16)24)22(29)26-19-11-15(25)6-7-20(19)31-3/h6-7,9-11,16,18H,4-5,8,12H2,1-3H3,(H,26,29)(H,27,30)/t16-,18+,24-/m0/s1	C24H26ClN3O3	439.935	6	2	70.67	5	4	0	-0.0687000000000006	4.82272	3.33	3.357	66.0263	121.7154	3.2011	393.558155107819
Cond-004615	NPD4671	NPD4671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4655137744	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c2C)c1)c1ccccc1	InChI=1S/C26H23NO6/c1-14-11-20-23(24-22(14)18(13-32-24)16-7-4-3-5-8-16)15(2)17(26(31)33-20)12-21(28)27-10-6-9-19(27)25(29)30/h3-5,7-8,11,13,19H,6,9-10,12H2,1-2H3,(H,29,30)/t19-/m0/s1	C26H23NO6	445.464	7	1	97.05	5	5	0	-0.445899999999999	4.88639000000001	3.55	4.843	59.8616	125.6328	3.208	398.506840172069
Cond-004616	NPD4673	NPD4673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.443177927	C[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C24H22N4O4/c1-13-22-17(16-5-3-4-6-18(16)28-22)10-19(26-13)24(30)27-14(2)23(29)25-11-15-7-8-20-21(9-15)32-12-31-20/h3-10,14,28H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t14-/m0/s1	C24H22N4O4	430.456	8	3	105.34	5	7	0	-1.6474	3.42039	3.22	3.395	45.3213	125.6864	3.1082	368.424698143713
Cond-004617	NPD4675	NPD4675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5966720477	COc1cc(NC(=O)CCc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc(OC)c1OC	InChI=1S/C26H27NO7/c1-13-12-33-23-15(3)24-19(11-18(13)23)14(2)17(26(29)34-24)7-8-22(28)27-16-9-20(30-4)25(32-6)21(10-16)31-5/h9-12H,7-8H2,1-6H3,(H,27,28)	C26H27NO7	465.495	8	1	96.23	4	8	0	1.0644	5.7781	3.44	2.761	71.099	130.1697	3.4183	422.28998427423
Cond-004618	NPD4676	NPD4676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.637241102	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NCCC(=O)O)c2C)c1)c1ccccc1	InChI=1S/C24H21NO6/c1-13-10-18-22(23-21(13)17(12-30-23)15-6-4-3-5-7-15)14(2)16(24(29)31-18)11-19(26)25-9-8-20(27)28/h3-7,10,12H,8-9,11H2,1-2H3,(H,25,26)(H,27,28)	C24H21NO6	419.427	7	2	105.84	4	7	0	0.322	4.5844	3.33	4.25	55.2648	119.5865	3.0348	376.271329621135
Cond-004619	NPD4677	NPD4677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.943126785	CC(C)c1ccc(NC(=O)COc2cc3c(C(=O)CC(C)(C)O3)c(O)c2)cc1	InChI=1S/C22H25NO5/c1-13(2)14-5-7-15(8-6-14)23-20(26)12-27-16-9-17(24)21-18(25)11-22(3,4)28-19(21)10-16/h5-10,13,24H,11-12H2,1-4H3,(H,23,26)	C22H25NO5	383.438	6	2	84.86	3	6	0	-0.6671	5.98226	3.22	4.059	55.7373	114.3832	2.9319	364.054968472041
Cond-004620	NPD4678	NPD4678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0040978517	COc1cc2c([nH]cc2CCNC(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1	InChI=1S/C24H24N2O5/c1-14-10-23(28)31-24-15(2)21(7-5-18(14)24)30-13-22(27)25-9-8-16-12-26-20-6-4-17(29-3)11-19(16)20/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,25,27)	C24H24N2O5	420.458	7	2	89.65	4	8	0	0.1627	4.29528000000001	3.33	3.029	59.7217	124.4697	3.1189	381.114321829541
Cond-004621	NPD4679	NPD4679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5706816811	CC(=O)c1cc(NC(=O)Cc2c(C)c3cc4c(occ4C)cc3oc2=O)ccc1	InChI=1S/C23H19NO5/c1-12-11-28-20-10-21-18(8-17(12)20)13(2)19(23(27)29-21)9-22(26)24-16-6-4-5-15(7-16)14(3)25/h4-8,10-11H,9H2,1-3H3,(H,24,26)	C23H19NO5	389.401	6	1	85.61	4	5	0	0.2615	5.53678	3.33	3.314	49.5545	112.2612	2.8352	350.185118294707
Cond-004622	NPD468	NPD468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.862195746	CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(O)C[C@]3(C)[C@@]2(O1)C(=O)COS(=O)(=O)C	InChI=1S/C26H36O8S/c1-5-6-22-33-21-12-18-17-8-7-15-11-16(27)9-10-24(15,2)23(17)19(28)13-25(18,3)26(21,34-22)20(29)14-32-35(4,30)31/h9-11,17-19,21-23,28H,5-8,12-14H2,1-4H3/t17?,18?,19?,21-,22?,23?,24+,25+,26-/m1/s1	C26H36O8S	508.624	8	1	124.58	5	6	0	-1.2343	3.86777	3.33	1.544	124.8386	129.3238	3.6901	474.754768328225
Cond-004623	NPD4681	NPD4681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3960848207	COc1cc(OC)c(CNC(=O)COc2c3c(C)c(C)c(=O)oc3c3CCC(C)(C)Oc3c2)cc1	InChI=1S/C27H31NO7/c1-15-16(2)26(30)34-25-19-9-10-27(3,4)35-21(19)12-22(24(15)25)33-14-23(29)28-13-17-7-8-18(31-5)11-20(17)32-6/h7-8,11-12H,9-10,13-14H2,1-6H3,(H,28,29)	C27H31NO7	481.538	8	1	92.32	4	8	0	0.944799999999999	5.48376000000001	3.55	3.481	82.845	138.1347	3.6022	453.122427600897
Cond-004624	NPD4682	NPD4682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.6420138115	Cc1coc2c1cc1c(C)c(CC(=O)Nc3nc4c([nH]3)cccc4)c(=O)oc1c2C	InChI=1S/C23H19N3O4/c1-11-10-29-20-13(3)21-15(8-14(11)20)12(2)16(22(28)30-21)9-19(27)26-23-24-17-6-4-5-7-18(17)25-23/h4-8,10H,9H2,1-3H3,(H2,24,25,26,27)	C23H19N3O4	401.415	7	2	97.22	5	4	0	0.737	5.16179	3.22	3.745	47.5862	117.0217	2.8675	340.13195330968
Cond-004625	NPD4683	NPD4683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.653172731	Cc1c(C)c2c(OCC(=O)NCCc3c[nH]cn3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C23H27N3O5/c1-13-14(2)22(28)30-21-16-5-7-23(3,4)31-17(16)9-18(20(13)21)29-11-19(27)25-8-6-15-10-24-12-26-15/h9-10,12H,5-8,11H2,1-4H3,(H,24,26)(H,25,27)	C23H27N3O5	425.478	8	2	102.54	4	7	0	0.339999999999999	3.53426000000001	3.11	2.207	74.425	120.9047	3.1638	390.988014813441
Cond-004626	NPD4684	NPD4684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5761109994	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)N3CCC[C@H]3C(=O)O)cc2O1	InChI=1S/C24H27NO7/c1-24(2)9-8-15-17(32-24)11-18(20-13-5-3-6-14(13)23(29)31-21(15)20)30-12-19(26)25-10-4-7-16(25)22(27)28/h11,16H,3-10,12H2,1-2H3,(H,27,28)/t16-/m0/s1	C24H27NO7	441.474	8	1	102.37	5	5	0	-1.3717	4.15386000000001	3.22	2.246	86.2169	120.0448	3.1569	405.050932424097
Cond-004627	NPD4685	NPD4685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.294497661	Cc1coc2c1cc1c(C)c(CC(=O)Nc3cccnc3)c(=O)oc1c2C	InChI=1S/C21H18N2O4/c1-11-10-26-19-13(3)20-16(7-15(11)19)12(2)17(21(25)27-20)8-18(24)23-14-5-4-6-22-9-14/h4-7,9-10H,8H2,1-3H3,(H,23,24)	C21H18N2O4	362.379	6	1	81.43	4	4	0	1.1574	4.7572	3.11	2.528	44.2862	103.6917	2.6375	320.43614125138
Cond-004628	NPD4686	NPD4686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9083783184	COc1cc(/C=C/2\Oc3c(ccc(OCC(=O)N[C@@H](C(=O)O)c4ccccc4)c3)C2=O)ccc1	InChI=1S/C26H21NO7/c1-32-18-9-5-6-16(12-18)13-22-25(29)20-11-10-19(14-21(20)34-22)33-15-23(28)27-24(26(30)31)17-7-3-2-4-8-17/h2-14,24H,15H2,1H3,(H,27,28)(H,30,31)/b22-13-/t24-/m1/s1	C26H21NO7	459.447	8	2	111.16	4	9	1	-1.8363	4.34396	3.44	5.677	48.0919	128.353	3.28930000000001	414.38060817183
Cond-004629	NPD4687	NPD4687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1508768492	CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(CC3)C(=O)N)ccc12	InChI=1S/C22H28N2O5/c1-3-4-5-16-12-20(26)29-21-14(2)18(7-6-17(16)21)28-13-19(25)24-10-8-15(9-11-24)22(23)27/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H2,23,27)	C22H28N2O5	400.468	7	2	98.93	3	8	0	-2.0689	3.41739	3.11	2.329	77.3378	113.7814	3.0747	388.588187381008
Cond-004630	NPD4688	NPD4688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4553309141	COc1ccc(NC(=O)Cc2c(C)c3cc4c(occ4C)c(C)c3oc2=O)cc1	InChI=1S/C23H21NO5/c1-12-11-28-21-14(3)22-18(9-17(12)21)13(2)19(23(26)29-22)10-20(25)24-15-5-7-16(27-4)8-6-15/h5-9,11H,10H2,1-4H3,(H,24,25)	C23H21NO5	391.417	6	1	77.77	4	5	0	1.1056	5.3708	3.33	3.48	51.602	112.4487	2.8782	352.821576995507
Cond-004631	NPD4689	NPD4689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5273088381	CCCOc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C23H20N2O4/c1-4-11-29-13-5-7-17-16(12-13)14-9-10-24-20-15-6-8-18(27-2)22(28-3)19(15)23(26)25(17)21(14)20/h5-10,12H,4,11H2,1-3H3	C23H20N2O4	388.416	6	0	62.58	5	5	0	-1.1176	4.68119	3.33	3.403	37.2147	115.199	2.8107	331.771651802313
Cond-004632	NPD4690	NPD4690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5590863952	CC(=C)Cc1c2c(ccc1OCC(=O)NCc1ccncc1)n1c3c2ccnc3c2c(cccc2)c1=O	InChI=1S/C30H24N4O3/c1-18(2)15-23-25(37-17-26(35)33-16-19-9-12-31-13-10-19)8-7-24-27(23)22-11-14-32-28-20-5-3-4-6-21(20)30(36)34(24)29(22)28/h3-14H,1,15-17H2,2H3,(H,33,35)	C30H24N4O3	488.537	7	1	86.11	6	8	0	-0.00380000000000047	5.17147000000001	3.99	4.929	44.8065	147.4407	3.6143	429.608085694353
Cond-004633	NPD4691	NPD4691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1310693782	COc1cccc(OC)c1OCCCCCN1CCCCC1c1cnccc1	InChI=1S/C23H32N2O3/c1-26-21-12-8-13-22(27-2)23(21)28-17-7-3-5-15-25-16-6-4-11-20(25)19-10-9-14-24-18-19/h8-10,12-14,18,20H,3-7,11,15-17H2,1-2H3	C23H32N2O3	384.512	5	0	43.82	3	10	0	-1.9881	5.03479000000001	3.44	4.171	54.1528	112.577	3.1412	380.040177306553
Cond-004634	NPD4692	NPD4692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5548961424	COc1cc(OC)c(cc1)c1c(C)c2ccc([O-])c(C[NH+](C)C)c2oc1=O	InChI=1S/C21H23NO5/c1-12-14-8-9-17(23)16(11-22(2)3)20(14)27-21(24)19(12)15-7-6-13(25-4)10-18(15)26-5/h6-10,23H,11H2,1-5H3	C21H23NO5	369.411	6	1	72.26	3	5	0	-1.4979	2.70017	3.11	2.383	50.4094	106.2747	2.791	346.758983846174
Cond-004635	NPD4693	NPD4693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8241454258	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NCC(O)CO)c2C)c1)c1ccccc1	InChI=1S/C24H23NO6/c1-13-8-19-22(23-21(13)18(12-30-23)15-6-4-3-5-7-15)14(2)17(24(29)31-19)9-20(28)25-10-16(27)11-26/h3-8,12,16,26-27H,9-11H2,1-2H3,(H,25,28)	C24H23NO6	421.443	7	3	109	4	7	0	-0.4324	3.28019000000001	3.33	3.329	56.7356	119.3643	3.0778	378.907788321935
Cond-004636	NPD4694	NPD4694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.507604328	CC(Oc1c2c(C)cc(=O)oc2cc(C)c1)C(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C25H24N2O7/c1-12-6-20(23-13(2)8-22(29)34-21(23)7-12)33-14(3)24(30)27-19(25(31)32)9-15-11-26-18-5-4-16(28)10-17(15)18/h4-8,10-11,14,19,26,28H,9H2,1-3H3,(H,27,30)(H,31,32)	C25H24N2O7	464.467	9	4	137.95	4	8	0	-0.7515	3.27848000000001	3.22	2.732	65.8735	128.4073	3.33420000000001	413.35430115573
Cond-004637	NPD4695	NPD4695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2889771599	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)NCCCN1CCOCC1	InChI=1S/C27H26N4O4/c32-24(28-9-3-11-30-12-14-34-15-13-30)17-35-18-6-7-23-22(16-18)20-8-10-29-25-19-4-1-2-5-21(19)27(33)31(23)26(20)25/h1-2,4-8,10,16H,3,9,11-15,17H2,(H,28,32)	C27H26N4O4	470.52	8	1	85.69	6	8	0	-1.9848	4.66916000000001	3.55	2.915	56.766	141.0542	3.4223	407.956193320514
Cond-004638	NPD4697	NPD4697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.384899354	COc1c(OC)c2c(cc1)c1ncc(c3c1n(c1ccccc31)c2=O)c1c(F)cccc1Cl	InChI=1S/C26H16ClFN2O3/c1-32-19-11-10-14-22(25(19)33-2)26(31)30-18-9-4-3-6-13(18)20-15(12-29-23(14)24(20)30)21-16(27)7-5-8-17(21)28/h3-12H,1-2H3	C26H16ClFN2O3	458.868	5	0	53.35	6	3	1	0.4856	6.40029	3.55	5.296	28.5612	130.701	3.07720000000001	364.982170796892
Cond-004639	NPD4698	NPD4698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1590757609	COc1ccc(NC(=O)Cc2c(C)c3cc4c(oc5c4CCCC5)cc3oc2=O)cc1OC	InChI=1S/C26H25NO6/c1-14-17-11-19-16-6-4-5-7-20(16)32-23(19)13-22(17)33-26(29)18(14)12-25(28)27-15-8-9-21(30-2)24(10-15)31-3/h8-11,13H,4-7,12H2,1-3H3,(H,27,28)	C26H25NO6	447.48	7	1	87	5	6	0	-0.488200000000003	6.12825	3.55	4.008	63.054	130.5257	3.251	401.143298872869
Cond-004640	NPD47	NPD47	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4716242661	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccc(Cl)cc1	InChI=1S/C34H49ClO2/c1-4-5-6-7-8-9-10-25-14-18-30-29-17-13-26-23-28(37-32(36)24-11-15-27(35)16-12-24)19-21-34(26,3)31(29)20-22-33(25,30)2/h11-13,15-16,25,28-31H,4-10,14,17-23H2,1-3H3/t25?,28-,29?,30?,31?,33+,34-/m0/s1	C34H49ClO2	525.205	2	0	26.3	5	10	1	0.0458999999999995	10.08958	4.87	13.589	116.949	156.593	4.381	543.546870143825
Cond-004641	NPD470	NPD470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.866604766	Cc1cc(O)c(C(=O)/C=C/c2cc3c4N(CCCc4c2)CCC3)c(=O)o1	InChI=1S/C21H21NO4/c1-13-10-18(24)19(21(25)26-13)17(23)7-6-14-11-15-4-2-8-22-9-3-5-16(12-14)20(15)22/h6-7,10-12,24H,2-5,8-9H2,1H3/b7-6+	C21H21NO4	351.396	5	1	66.84	4	3	0	-0.239000000000002	3.67105	3.22	3.675	75.8404	100.9068	2.6237	336.512298444813
Cond-004642	NPD4700	NPD4700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7476372411	COCCCNC(=O)Cc1c(C)c2cc3c(oc(C)c3c3ccccc3)cc2oc1=O	InChI=1S/C25H25NO5/c1-15-18-12-20-22(30-16(2)24(20)17-8-5-4-6-9-17)14-21(18)31-25(28)19(15)13-23(27)26-10-7-11-29-3/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,26,27)	C25H25NO5	419.47	6	1	77.77	4	8	1	-0.0037000000000007	4.94429000000001	3.55	5.052	58.6663	125.1937	3.16	387.413546247241
Cond-004643	NPD4701	NPD4701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1797418073	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NC4CCCC4)cc31)c2=O	InChI=1S/C27H25N3O5/c1-33-21-10-8-18-23(26(21)34-2)27(32)30-20-9-7-16(35-14-22(31)29-15-5-3-4-6-15)13-19(20)17-11-12-28-24(18)25(17)30/h7-13,15H,3-6,14H2,1-2H3,(H,29,31)	C27H25N3O5	471.504	8	1	91.68	6	7	0	-2.9315	4.32999	3.55	3.053	50.74	135.3067	3.3812	405.749659812908
Cond-004644	NPD4703	NPD4703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.904631615	CC(C)C[C@H](NC(=O)COc1cc2c(CCC(C)(C)O2)c2c1c(C)c(C)c(=O)o2)C(=O)NCCCO	InChI=1S/C27H38N2O7/c1-15(2)12-19(25(32)28-10-7-11-30)29-22(31)14-34-21-13-20-18(8-9-27(5,6)36-20)24-23(21)16(3)17(4)26(33)35-24/h13,15,19,30H,7-12,14H2,1-6H3,(H,28,32)(H,29,31)/t19-/m0/s1	C27H38N2O7	502.6	9	3	123.19	3	12	1	0.348299999999999	3.96366000000001	3.44	2.876	107.8857	141.2692	3.8966	492.648563911464
Cond-004645	NPD4704	NPD4704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1716655558	Brc1ccc(cc1)C1C=C2N(CCc3cc4c(OCO4)cc23)C2=C1C(=O)CCC2	InChI=1S/C24H20BrNO3/c25-16-6-4-14(5-7-16)18-11-20-17-12-23-22(28-13-29-23)10-15(17)8-9-26(20)19-2-1-3-21(27)24(18)19/h4-7,10-12,18H,1-3,8-9,13H2	C24H20BrNO3	450.324	4	0	40.46	6	1	1	0.45	5.40242	3.55	5.08	67.1886	116.619	2.9025	349.744268497019
Cond-004646	NPD4705	NPD4705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.7626613704	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCc4c(Cl)cc(Cl)cc4)cc31)c2=O	InChI=1S/C27H18Cl2N2O4/c1-33-22-8-6-18-23(26(22)34-2)27(32)31-21-7-5-16(35-13-14-3-4-15(28)11-20(14)29)12-19(21)17-9-10-30-24(18)25(17)31/h3-12H,13H2,1-2H3	C27H18Cl2N2O4	505.349	6	0	62.58	6	5	1	0.6077	6.43869	3.55	5.089	39.6356	139.451	3.3815	400.211891043446
Cond-004647	NPD4706	NPD4706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4591472276	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCC(=O)NCc3cnccc3)ccc12	InChI=1S/C25H22N2O5/c1-16-22(31-15-23(28)27-14-17-4-3-11-26-13-17)10-9-20-21(12-24(29)32-25(16)20)18-5-7-19(30-2)8-6-18/h3-13H,14-15H2,1-2H3,(H,27,28)	C25H22N2O5	430.453	7	1	86.75	4	8	0	-0.3145	3.93209	3.44	3.945	46.4678	123.1817	3.1738	393.137389053808
Cond-004648	NPD4707	NPD4707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0251669994	Cc1coc2c1cc1c(oc(=O)c(CC(=O)N[C@H](CO)c3ccccc3)c1C)c2	InChI=1S/C23H21NO5/c1-13-12-28-20-10-21-17(8-16(13)20)14(2)18(23(27)29-21)9-22(26)24-19(11-25)15-6-4-3-5-7-15/h3-8,10,12,19,25H,9,11H2,1-2H3,(H,24,26)/t19-/m1/s1	C23H21NO5	391.417	6	2	88.77	4	6	0	0.0163	3.60409	3.33	3.716	49.4588	110.5755	2.8782	352.821576995507
Cond-004649	NPD4708	NPD4708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8679245283	COc1ccc(CNC(=O)c2cc3c4n(c5ccccc35)c(=O)c3c(ccc(OC)c3OC)c4n2)cc1	InChI=1S/C29H23N3O5/c1-35-17-10-8-16(9-11-17)15-30-28(33)21-14-20-18-6-4-5-7-22(18)32-26(20)25(31-21)19-12-13-23(36-2)27(37-3)24(19)29(32)34/h4-14H,15H2,1-3H3,(H,30,33)	C29H23N3O5	493.51	8	1	91.68	6	7	0	-1.4134	5.30187	3.77	4.523	41.5426	144.9032	3.534	421.532252962241
Cond-004650	NPD471	NPD471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6888454012	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)C(Cl)CCC	InChI=1S/C32H53ClOS/c1-5-7-8-9-10-11-13-23-15-17-27-26-16-14-24-22-25(35-30(34)29(33)12-6-2)18-20-32(24,4)28(26)19-21-31(23,27)3/h14,23,25-29H,5-13,15-22H2,1-4H3/t23?,25-,26?,27?,28?,29?,31+,32-/m0/s1	C32H53ClOS	521.281	1	0	42.37	4	12	2	-0.0777000000000005	10.51198	4.65	13.069	138.437	157.094	4.44159999999999	549.83953305233
Cond-004651	NPD4710	NPD4710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2628192238	COc1cc(NC(=O)Cc2c(C)c3cc4c(oc5c4CCCC5)cc3oc2=O)c(OC)cc1	InChI=1S/C26H25NO6/c1-14-17-11-19-16-6-4-5-7-21(16)32-24(19)13-23(17)33-26(29)18(14)12-25(28)27-20-10-15(30-2)8-9-22(20)31-3/h8-11,13H,4-7,12H2,1-3H3,(H,27,28)	C26H25NO6	447.48	7	1	87	5	6	0	-0.488200000000003	6.12825	3.55	4.008	63.054	130.5257	3.251	401.143298872869
Cond-004652	NPD4711	NPD4711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.8123138034	Clc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C30H23ClN4O3/c31-19-4-3-5-20(16-19)33-12-14-34(15-13-33)27(36)18-38-21-8-9-26-25(17-21)23-10-11-32-28-22-6-1-2-7-24(22)30(37)35(26)29(23)28/h1-11,16-17H,12-15,18H2	C30H23ClN4O3	522.982	7	0	67.67	7	5	1	-0.8216	5.78328000000001	3.88	5.317	48.4265	152.473	3.6711	435.099153464786
Cond-004653	NPD4712	NPD4712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7884806356	COc1cc(OC)c(CNC(=O)COc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)cc1	InChI=1S/C31H27N3O7/c1-37-18-6-5-17(25(14-18)39-3)15-33-26(35)16-41-19-7-9-23-22(13-19)20-11-12-32-28-21-8-10-24(38-2)30(40-4)27(21)31(36)34(23)29(20)28/h5-14H,15-16H2,1-4H3,(H,33,35)	C31H27N3O7	553.562	10	1	110.14	6	10	0	-1.8211	4.82079	3.77	3.181	55.0395	157.8717	3.9332	473.704675615097
Cond-004654	NPD4713	NPD4713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4059923587	C[C@H](NC(=O)COc1c2c3c(CCC3)c(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C22H25NO7/c1-11(20(25)26)23-17(24)10-28-16-9-15-14(7-8-22(2,3)30-15)19-18(16)12-5-4-6-13(12)21(27)29-19/h9,11H,4-8,10H2,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1	C22H25NO7	415.436	8	2	111.16	4	6	0	-0.755999999999998	3.66756000000001	3	2.021	81.5802	112.9145	2.9837	382.815421873163
Cond-004655	NPD4714	NPD4714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.0204056485	COc1ccc(cc1)C(CCN(Cc1ccc(OC(C)C)cc1)C(=O)C)C(C)C	InChI=1S/C25H35NO3/c1-18(2)25(22-9-13-23(28-6)14-10-22)15-16-26(20(5)27)17-21-7-11-24(12-8-21)29-19(3)4/h7-14,18-19,25H,15-17H2,1-6H3	C25H35NO3	397.55	4	0	38.77	2	11	2	-0.504799999999997	5.55519000000001	3.77	6.909	67.1728	120.974	3.3888	413.355386350119
Cond-004656	NPD4715	NPD4715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5142551328	[C@@H]1(C[C@H](CCC(=O)N)N[C@@]21C(=O)Nc1c2cc(C)cc1)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C23H25ClN4O4/c1-12-3-6-17-15(9-12)23(22(31)27-17)16(11-14(28-23)5-8-20(25)29)21(30)26-18-10-13(24)4-7-19(18)32-2/h3-4,6-7,9-10,14,16,28H,5,8,11H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)/t14-,16+,23-/m0/s1	C23H25ClN4O4	456.922	8	5	122.55	4	7	0	-1.4679	3.554	3	2.528	65.2931	123.6995	3.2843	405.76915739068
Cond-004657	NPD4716	NPD4716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.508306796	CC(=C)Cc1c2c(ccc1OCC(=O)NCc1cnccc1)n1c3c2ccnc3c2c(cccc2)c1=O	InChI=1S/C30H24N4O3/c1-18(2)14-23-25(37-17-26(35)33-16-19-6-5-12-31-15-19)10-9-24-27(23)22-11-13-32-28-20-7-3-4-8-21(20)30(36)34(24)29(22)28/h3-13,15H,1,14,16-17H2,2H3,(H,33,35)	C30H24N4O3	488.537	7	1	86.11	6	8	0	-0.00380000000000047	5.17147000000001	3.99	4.929	44.8065	147.4407	3.6143	429.608085694353
Cond-004658	NPD4717	NPD4717	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3098311817	COc1cc(CNC(=O)C(C)Oc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)ccc1	InChI=1S/C31H27N3O6/c1-17(30(35)33-16-18-6-5-7-19(14-18)37-2)40-20-8-10-24-23(15-20)21-12-13-32-27-22-9-11-25(38-3)29(39-4)26(22)31(36)34(24)28(21)27/h5-15,17H,16H2,1-4H3,(H,33,35)	C31H27N3O6	537.563	9	1	100.91	6	9	0	-1.6733	4.64519	3.88	4.151	52.3832	153.5877	3.8745	464.914448914536
Cond-004659	NPD4718	NPD4718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.979584784	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC(CC3)C(=O)N)c12	InChI=1S/C23H28N2O6/c1-13-10-19(27)30-21-15-4-7-23(2,3)31-16(15)11-17(20(13)21)29-12-18(26)25-8-5-14(6-9-25)22(24)28/h10-11,14H,4-9,12H2,1-3H3,(H2,24,28)	C23H28N2O6	428.478	8	2	108.16	4	5	0	-0.8486	3.26796	3.11	1.243	85.4548	119.0524	3.1657	402.317940006636
Cond-004660	NPD4719	NPD4719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9211473985	CC(=C)COc1c2c(oc(=O)c(CC(=O)NCCCc3ccccc3)c2C)cc(C)c1	InChI=1S/C26H29NO4/c1-17(2)16-30-22-13-18(3)14-23-25(22)19(4)21(26(29)31-23)15-24(28)27-12-8-11-20-9-6-5-7-10-20/h5-7,9-10,13-14H,1,8,11-12,15-16H2,2-4H3,(H,27,28)	C26H29NO4	419.513	5	1	64.63	3	10	1	1.4669	4.97928000000001	3.77	6.331	70.4147	124.9817	3.3508	419.175762873347
Cond-004661	NPD472	NPD472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.91967236	COc1ccc(cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(c1c(O)nc(Nc2ccccc2)n(c1=O)c1ccccc1)c1c(O)nc(Nc2ccccc2)n(c1=O)c1ccccc1	InChI=1S/C52H46N8O6/c1-66-42-26-25-34(28-36(42)32-57-29-33-27-35(31-57)41-23-14-24-43(61)58(41)30-33)44(45-47(62)55-51(53-37-15-6-2-7-16-37)59(49(45)64)39-19-10-4-11-20-39)46-48(63)56-52(54-38-17-8-3-9-18-38)60(50(46)65)40-21-12-5-13-22-40/h2-26,28,33,35,44,62-63H,27,29-32H2,1H3,(H,53,55)(H,54,56)/t33-,35-/m0/s1	C52H46N8O6	878.972	14	4	162.64	10	12	3	-1.5843	10.28619	5.64	9.889	121.629	260.407999999999	6.46800000000002	807.323505287367
Cond-004662	NPD4720	NPD4720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.839889647	CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(oc(=O)cc2c2ccc(OC)cc2)c1)C(=O)NCCCO	InChI=1S/C29H35N3O8/c1-4-18(2)28(29(37)30-12-5-13-33)32-25(34)16-31-26(35)17-39-21-10-11-22-23(15-27(36)40-24(22)14-21)19-6-8-20(38-3)9-7-19/h6-11,14-15,18,28,33H,4-5,12-13,16-17H2,1-3H3,(H,30,37)(H,31,35)(H,32,34)/t18-,28-/m0/s1	C29H35N3O8	553.603	11	4	152.29	3	17	1	-3.425	2.12237000000001	3.44	2.697	91.2675	150.9949	4.1649	525.581685268725
Cond-004663	NPD4721	NPD4721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.7298907646	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCc4c[nH]c5ccccc45)cc31)c2=O	InChI=1S/C32H26N4O5/c1-39-26-10-8-22-28(31(26)40-2)32(38)36-25-9-7-19(15-23(25)21-12-14-34-29(22)30(21)36)41-17-27(37)33-13-11-18-16-35-24-6-4-3-5-20(18)24/h3-10,12,14-16,35H,11,13,17H2,1-2H3,(H,33,37)	C32H26N4O5	546.573	9	2	107.47	7	9	0	-1.8823	5.03468000000001	3.99	4.081	48.1597	161.3937	3.9049	458.524049646408
Cond-004664	NPD4722	NPD4722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5799404171	Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C29H21ClN4O2/c30-18-6-5-7-19(16-18)32-12-14-33(15-13-32)29(36)24-17-23-20-8-3-4-11-25(20)34-27(23)26(31-24)21-9-1-2-10-22(21)28(34)35/h1-11,16-17H,12-15H2	C29H21ClN4O2	492.956	6	0	58.44	7	3	1	-0.4657	6.82846000000001	3.88	6.215	42.2454	148.3835	3.4715	409.012942138358
Cond-004665	NPD4723	NPD4723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2212526806	CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1	InChI=1S/C18H20N2O7/c1-10(2)17(18(24)25)20-14(21)8-19-15(22)9-26-12-5-3-11-4-6-16(23)27-13(11)7-12/h3-7,10,17H,8-9H2,1-2H3,(H,19,22)(H,20,21)(H,24,25)/t17-/m0/s1	C18H20N2O7	376.361	9	3	131.03	2	10	0	-1.3813	0.891170000000001	2.45	0.958	66.9712	98.2622	2.6941	346.704702278663
Cond-004666	NPD4724	NPD4724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.175738224	CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2c1cc1OCOc1c2	InChI=1S/C27H28N4O6/c1-3-31-14-20(26(33)19-11-23-24(12-22(19)31)37-15-36-23)27(34)29-9-7-25(32)28-8-6-16-13-30-21-5-4-17(35-2)10-18(16)21/h4-5,10-14,30H,3,6-9,15H2,1-2H3,(H,28,32)(H,29,34)	C27H28N4O6	504.534	10	3	121.99	5	11	1	-1.8776	3.78815000000001	3.33	2.697	77.971	144.1209	3.6483	448.793105422436
Cond-004667	NPD4725	NPD4725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7246278097	C(CCN1CCCCC1c1cnccc1)COc1ccc2CCCc2c1	InChI=1S/C23H30N2O/c1-2-14-25(23(10-1)21-9-6-13-24-18-21)15-3-4-16-26-22-12-11-19-7-5-8-20(19)17-22/h6,9,11-13,17-18,23H,1-5,7-8,10,14-16H2	C23H30N2O	350.497	3	0	25.36	4	7	1	-1.7597	5.11619000000001	3.66	5.787	49.252	106.881	2.9152	350.10326520463
Cond-004668	NPD4726	NPD4726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.505303104	CCNC(=O)N1CCc2c([nH]c3c2cc(Cl)cc3)C21C(=O)N(C)c1ccccc21	InChI=1S/C22H21ClN4O2/c1-3-24-21(29)27-11-10-14-15-12-13(23)8-9-17(15)25-19(14)22(27)16-6-4-5-7-18(16)26(2)20(22)28/h4-9,12,25H,3,10-11H2,1-2H3,(H,24,29)	C22H21ClN4O2	408.881	6	2	68.44	5	3	0	-0.501300000000001	3.15818	3.11	3.077	53.4539	116.7297	2.9174	347.636260662891
Cond-004669	NPD4727	NPD4727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6993076162	CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCN3CCOCC3)c12	InChI=1S/C25H34N2O6/c1-4-5-17-14-22(29)32-24-18-6-7-25(2,3)33-19(18)15-20(23(17)24)31-16-21(28)26-8-9-27-10-12-30-13-11-27/h14-15H,4-13,16H2,1-3H3,(H,26,28)	C25H34N2O6	458.547	8	1	86.33	4	9	0	-0.403899999999997	3.77266000000001	3.33	2.399	100.108	130.0567	3.4905	439.546367959169
Cond-004670	NPD4728	NPD4728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3683099466	COC(=O)Cc1c(C)c2ccc3OCN(Cc4cc5c(OCO5)cc4)Cc3c2oc1=O	InChI=1S/C23H21NO7/c1-13-15-4-6-18-17(22(15)31-23(26)16(13)8-21(25)27-2)10-24(11-28-18)9-14-3-5-19-20(7-14)30-12-29-19/h3-7H,8-12H2,1-2H3	C23H21NO7	423.415	8	0	83.53	5	5	0	0.258600000000001	3.95226	3.11	2.599	61.8573	115.729	2.93	371.58203039663
Cond-004671	NPD4729	NPD4729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9155826854	COc1ccc(OC)c(c1)C1N(C(=O)C(=C1C(=O)/C=C/c1ccccc1)O)c1cccc(c1)C(=O)O	InChI=1S/C28H23NO7/c1-35-20-12-14-23(36-2)21(16-20)25-24(22(30)13-11-17-7-4-3-5-8-17)26(31)27(32)29(25)19-10-6-9-18(15-19)28(33)34/h3-16,25,31H,1-2H3,(H,33,34)/b13-11+	C28H23NO7	485.485	8	2	113.37	4	8	1	-1.2222	4.51077000000001	3.66	7.201	58.9838	136.5506	3.52810000000001	446.336118722763
Cond-004672	NPD473	NPD473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.4048412813	CC#C[C@]1(O)CCC2C3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@]12C)OCCO6	InChI=1S/C23H30O4/c1-3-7-20(24)9-6-17-16-4-10-21-15-22(25-13-14-26-22)11-12-23(21,27-21)18(16)5-8-19(17,20)2/h5,16-17,24H,4,6,8-15H2,1-2H3/t16?,17?,19-,20-,21+,23+/m0/s1	C23H30O4	370.482	4	1	51.22	6	0	0	1.5409	3.33778	3.55	1.991	98.8653	98.7728	2.8035	359.47688359078
Cond-004673	NPD4730	NPD4730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.371786912	Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C22H27NO5/c1-13-16-10-14-4-7-22(2,3)28-18(14)12-19(16)27-21(26)17(13)11-20(25)23-8-5-15(24)6-9-23/h10,12,15,24H,4-9,11H2,1-3H3	C22H27NO5	385.453	6	1	76.07	4	3	0	-0.277999999999999	3.90886000000001	3.22	2.333	77.5773	110.4398	2.9093	367.871427172841
Cond-004674	NPD4731	NPD4731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	78.460774578	O=C(NC1CC1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C22H15N3O2/c26-21(23-12-9-10-12)17-11-16-13-5-3-4-8-18(13)25-20(16)19(24-17)14-6-1-2-7-15(14)22(25)27/h1-8,11-12H,9-10H2,(H,23,26)	C22H15N3O2	353.373	5	1	63.99	6	3	0	-1.896	4.57777	3.33	4.545	24.1041	108.8792	2.5006	292.899056581891
Cond-004675	NPD4732	NPD4732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1298774927	COCCNC(=O)COc1ccc2c(oc(=O)cc2c2ccc(OC)cc2)c1	InChI=1S/C21H21NO6/c1-25-10-9-22-20(23)13-27-16-7-8-17-18(12-21(24)28-19(17)11-16)14-3-5-15(26-2)6-4-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)	C21H21NO6	383.395	7	1	83.09	3	9	0	-0.9967	2.73927	3	2.764	52.9937	106.7727	2.8067	352.912751845935
Cond-004676	NPD4733	NPD4733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.4957672473	CC(C)c1ccc(cc1)N1C(=O)CC(NCCc2c[nH]c3c2cc(C)cc3)C1=O	InChI=1S/C24H27N3O2/c1-15(2)17-5-7-19(8-6-17)27-23(28)13-22(24(27)29)25-11-10-18-14-26-21-9-4-16(3)12-20(18)21/h4-9,12,14-15,22,25-26H,10-11,13H2,1-3H3	C24H27N3O2	389.49	5	2	65.2	4	6	1	-0.239300000000001	4.46779000000001	3.55	5.713	55.7889	120.2147	3.0856	368.376860636825
Cond-004677	NPD4734	NPD4734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.687847145	CCC(NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C21H23NO6/c1-6-14(20(24)25)22-16(23)8-13-11(4)18-15(28-21(13)26)7-9(2)17-10(3)12(5)27-19(17)18/h7,14H,6,8H2,1-5H3,(H,22,23)(H,24,25)	C21H23NO6	385.41	7	2	105.84	3	6	0	0.963299999999999	3.11163	3	2.566	69.3711	106.5085	2.8497	355.549210546735
Cond-004678	NPD4736	NPD4736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.312181796	CC(=C)COc1ccc2c(oc(=O)c(CC(=O)Nc3cccnc3)c2C)c1	InChI=1S/C21H20N2O4/c1-13(2)12-26-16-6-7-17-14(3)18(21(25)27-19(17)9-16)10-20(24)23-15-5-4-8-22-11-15/h4-9,11H,1,10,12H2,2-3H3,(H,23,24)	C21H20N2O4	364.395	6	1	77.52	3	7	0	1.0389	4.83605	3.11	2.687	52.4234	106.6787	2.7461	343.69259995218
Cond-004679	NPD4737	NPD4737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.6317991632	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)C(C)O)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C25H29N3O5/c1-5-33-23(31)16-6-8-17(9-7-16)26-22(30)19-12-20(15(4)29)28-25(19)18-11-13(2)10-14(3)21(18)27-24(25)32/h6-11,15,19-20,28-29H,5,12H2,1-4H3,(H,26,30)(H,27,32)/t15?,19-,20-,25+/m1/s1	C25H29N3O5	451.515	8	4	116.76	4	7	0	-0.8282	2.34643	3.33	3.55	71.1049	124.5219	3.4026	422.943525364375
Cond-004680	NPD4738	NPD4738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2730786165	CC(C)C[C@H](NC(=O)N1CC(=Nc2ccccc12)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C24H28N4O5/c1-15(2)12-18(22(30)26-19(23(31)32)13-16-8-4-3-5-9-16)27-24(33)28-14-21(29)25-17-10-6-7-11-20(17)28/h3-11,15,18-19H,12-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,33)(H,31,32)/t18-,19-/m0/s1	C24H28N4O5	452.503	9	4	131.33	3	11	2	-1.209	3.68967	3.11	5.425	67.8724	129.481	3.4271	426.364300946675
Cond-004681	NPD4739	NPD4739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9535491655	CC(C)[C@H](NC(=O)COc1c2c3c(CCCC3)c(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C25H31NO7/c1-13(2)21(23(28)29)26-19(27)12-31-18-11-17-16(9-10-25(3,4)33-17)22-20(18)14-7-5-6-8-15(14)24(30)32-22/h11,13,21H,5-10,12H2,1-4H3,(H,26,27)(H,28,29)/t21-/m0/s1	C25H31NO7	457.516	8	2	111.16	4	7	0	-0.5224	4.69376000000001	3.33	3.245	92.8609	126.6955	3.4064	434.703375750764
Cond-004682	NPD474	NPD474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0074929027	CCn1c(=S)n(CC)c(O)c(C2OC(=O)c3c(OC)c(OC)ccc23)c1=O	InChI=1S/C18H20N2O6S/c1-5-19-15(21)12(16(22)20(6-2)18(19)27)13-9-7-8-10(24-3)14(25-4)11(9)17(23)26-13/h7-8,13,21H,5-6H2,1-4H3	C18H20N2O6S	392.426	8	1	120.63	3	5	0	0.7734	1.76199	2.45	2.64	76.5943	101.9618	2.7333	346.703499635702
Cond-004683	NPD4740	NPD4740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.347996473	CCCOC(=O)c1ccc(cc1)N1COc2c(C1)cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C25H25NO5/c1-3-11-29-24(27)16-7-9-18(10-8-16)26-13-17-12-21-19-5-4-6-20(19)25(28)31-23(21)15(2)22(17)30-14-26/h7-10,12H,3-6,11,13-14H2,1-2H3	C25H25NO5	419.47	6	0	65.07	5	5	0	0.0243000000000011	5.23431000000001	3.55	4.565	65.592	122.101	3.0944	388.593546247241
Cond-004684	NPD4741	NPD4741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.914814355	COc1cc2c([nH]cc2CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1	InChI=1S/C22H20N2O5/c1-27-16-5-6-19-18(10-16)15(12-24-19)8-9-23-21(25)13-28-17-4-2-14-3-7-22(26)29-20(14)11-17/h2-7,10-12,24H,8-9,13H2,1H3,(H,23,25)	C22H20N2O5	392.405	7	2	89.65	4	8	0	-0.925700000000001	3.32166	3.11	2.855	49.9376	113.8857	2.8371	346.522352577807
Cond-004685	NPD4742	NPD4742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2388829425	[C@@H]1(C[C@H](Cc2ccccc2)N[C@@]21C(=O)Nc1c2cc(C)cc1)C(=O)Nc1cc(OC)ccc1OC	InChI=1S/C28H29N3O4/c1-17-9-11-23-21(13-17)28(27(33)30-23)22(15-19(31-28)14-18-7-5-4-6-8-18)26(32)29-24-16-20(34-2)10-12-25(24)35-3/h4-13,16,19,22,31H,14-15H2,1-3H3,(H,29,32)(H,30,33)/t19-,22+,28-/m0/s1	C28H29N3O4	471.548	7	3	88.69	5	7	1	-1.3136	4.8864	3.77	6.506	56.9564	136.9591	3.57200000000001	437.511876439014
Cond-004686	NPD4744	NPD4744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.458676855	Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C24H28N2O7/c1-14-16-9-15-5-8-24(6-3-2-4-7-24)33-18(15)11-19(16)32-23(31)17(14)10-20(27)25-12-21(28)26-13-22(29)30/h9,11H,2-8,10,12-13H2,1H3,(H,25,27)(H,26,28)(H,29,30)	C24H28N2O7	456.488	9	3	131.03	4	8	0	-1.7245	3.34957	3.11	1.856	86.3254	125.0732	3.3223	425.767692632264
Cond-004687	NPD4745	NPD4745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8809815951	COc1cc(cc(=O)c2c(C)oc(C)c12)c1ccc(OCC(=O)c2ccc(C)o2)cc1	InChI=1S/C25H22O6/c1-14-5-10-22(30-14)21(27)13-29-19-8-6-17(7-9-19)18-11-20(26)24-15(2)31-16(3)25(24)23(12-18)28-4/h5-12H,13H2,1-4H3	C25H22O6	418.439	6	0	78.88	4	6	0	0.2615	4.10484	3.55	4.54	63.2943	117.9185	3.0759	382.570554038835
Cond-004688	NPD4746	NPD4746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6609905614	[C@@H]1(C[C@H](CCC(=O)N)N[C@@]21C(=O)Nc1c2cc(Br)cc1)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C22H22BrClN4O4/c1-32-18-6-3-12(24)9-17(18)26-20(30)15-10-13(4-7-19(25)29)28-22(15)14-8-11(23)2-5-16(14)27-21(22)31/h2-3,5-6,8-9,13,15,28H,4,7,10H2,1H3,(H2,25,29)(H,26,30)(H,27,31)/t13-,15+,22-/m0/s1	C22H22BrClN4O4	521.791	8	5	122.55	4	7	0	-1.2211	4.28848	2.78	2.428	68.3901	127.7595	3.3184	407.75679174238
Cond-004689	NPD4747	NPD4747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6633663366	CC(C)C[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C25H29N5O4/c1-16(2)14-19(22(31)26-20(23(32)33)15-17-8-4-3-5-9-17)28-25(34)30-13-12-29-21-11-7-6-10-18(21)27-24(29)30/h3-11,16,19-20H,12-15H2,1-2H3,(H,26,31)(H,28,34)(H,32,33)/t19-,20-/m0/s1	C25H29N5O4	463.529	9	3	116.56	4	11	2	-0.8892	4.36406000000001	3.22	5.551	67.1564	134.3152	3.5005	422.610360379347
Cond-004690	NPD4748	NPD4748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0460383323	Cc1c(CCC(=O)NCC(O)CO)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C24H23NO6/c1-14-17(7-8-23(28)25-11-16(27)12-26)24(29)31-22-10-21-19(9-18(14)22)20(13-30-21)15-5-3-2-4-6-15/h2-6,9-10,13,16,26-27H,7-8,11-12H2,1H3,(H,25,28)	C24H23NO6	421.443	7	3	109	4	8	0	-1.012	3.64227000000001	3.33	3.175	56.0989	120.3413	3.0778	378.907788321935
Cond-004691	NPD4749	NPD4749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.073775543	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1c2c3c(CCC3)c(=O)oc2cc(C)c1)C(=O)O	InChI=1S/C23H28N2O7/c1-4-13(3)21(22(28)29)25-18(26)10-24-19(27)11-31-16-8-12(2)9-17-20(16)14-6-5-7-15(14)23(30)32-17/h8-9,13,21H,4-7,10-11H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t13-,21-/m1/s1	C23H28N2O7	444.478	9	3	131.03	3	11	1	-1.8632	2.23359	3	2.112	85.8284	118.2562	3.29	420.828166707197
Cond-004692	NPD475	NPD475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9044166746	COc1c(OC)c2c(cc1)C1CC(=Nc3c(cccc3)N1C2=O)c1ccccc1	InChI=1S/C24H20N2O3/c1-28-21-13-12-16-20-14-18(15-8-4-3-5-9-15)25-17-10-6-7-11-19(17)26(20)24(27)22(16)23(21)29-2/h3-13,20H,14H2,1-2H3	C24H20N2O3	384.427	5	0	51.13	5	3	1	-0.8596	5.03658	3.55	5.389	36.6233	116.543	2.8499	348.540951026819
Cond-004693	NPD4750	NPD4750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3788328388	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NCc4ccc(cc4)S(=O)(=O)N)cc31)c2=O	InChI=1S/C30H26N4O7S/c1-16(29(35)33-15-17-4-7-19(8-5-17)42(31,37)38)41-18-6-10-23-22(14-18)20-12-13-32-26-21-9-11-24(39-2)28(40-3)25(21)30(36)34(23)27(20)26/h4-14,16H,15H2,1-3H3,(H,33,35)(H2,31,37,38)	C30H26N4O7S	586.615	11	3	160.22	6	9	0	-2.558	3.23599	3.44	2.679	56.209	152.9961	4.0556	485.914475254997
Cond-004694	NPD4752	NPD4752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.6618846903	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)NCCCN3CCOCC3)c(C)c1c2	InChI=1S/C25H32N2O5/c1-15-18(4)31-23-17(3)24-21(14-20(15)23)16(2)19(25(29)32-24)6-7-22(28)26-8-5-9-27-10-12-30-13-11-27/h14H,5-13H2,1-4H3,(H,26,28)	C25H32N2O5	440.532	7	1	81.01	4	8	0	1.3	3.36083	3.44	2.069	90.586	126.1537	3.3888	417.219682557808
Cond-004695	NPD4753	NPD4753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.765066923	Cc1ccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C24H19NO4/c1-16-7-9-18(10-8-16)25-23(26)15-28-19-11-12-20-21(17-5-3-2-4-6-17)14-24(27)29-22(20)13-19/h2-14H,15H2,1H3,(H,25,26)	C24H19NO4	385.412	5	1	64.63	4	6	1	-0.2743	5.23488	3.55	7.319	34.4398	114.2897	2.8744	356.054417519213
Cond-004696	NPD4754	NPD4754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7847864133	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCC(=O)NCc3ccncc3)ccc12	InChI=1S/C25H22N2O5/c1-16-22(31-15-23(28)27-14-17-9-11-26-12-10-17)8-7-20-21(13-24(29)32-25(16)20)18-3-5-19(30-2)6-4-18/h3-13H,14-15H2,1-2H3,(H,27,28)	C25H22N2O5	430.453	7	1	86.75	4	8	0	-0.3145	3.93209	3.44	3.945	46.4678	123.1817	3.1738	393.137389053808
Cond-004697	NPD4755	NPD4755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.9374379345	COc1ccc2c(c1)n1c3c2ccnc3c2c(c1=O)c(OC)c(OC)cc2	InChI=1S/C21H16N2O4/c1-25-11-4-5-12-13-8-9-22-18-14-6-7-16(26-2)20(27-3)17(14)21(24)23(19(13)18)15(12)10-11/h4-10H,1-3H3	C21H16N2O4	360.363	6	0	62.58	5	3	0	-0.7902	3.90099	3.11	2.622	29.3889	105.965	2.5289	297.179682550579
Cond-004698	NPD4756	NPD4756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2466661737	COc1cc(OC)c(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1	InChI=1S/C21H21NO6/c1-12-16-7-5-14(23)8-19(16)28-21(25)17(12)10-20(24)22-11-13-4-6-15(26-2)9-18(13)27-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)	C21H21NO6	383.395	7	2	94.09	3	7	0	-0.5248	3.57637	3	2.153	53.5713	108.1585	2.8067	352.912751845935
Cond-004699	NPD4757	NPD4757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2582888365	COc1cc2c([nH]cc2CCNC(=O)Cc2c(C)c3cc4c(occ4c4ccccc4)cc3oc2=O)cc1	InChI=1S/C31H26N2O5/c1-18-22-13-25-26(19-6-4-3-5-7-19)17-37-28(25)15-29(22)38-31(35)23(18)14-30(34)32-11-10-20-16-33-27-9-8-21(36-2)12-24(20)27/h3-9,12-13,15-17,33H,10-11,14H2,1-2H3,(H,32,34)	C31H26N2O5	506.549	7	2	93.56	6	8	1	-0.3316	6.55486000000001	4.1	6.019	53.0618	152.6597	3.716	445.127462005808
Cond-004700	NPD4758	NPD4758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.371314586	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2ccc(C)c1C)C(C)O)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C25H29N3O5/c1-5-33-23(31)16-7-9-17(10-8-16)26-22(30)19-12-20(15(4)29)28-25(19)18-11-6-13(2)14(3)21(18)27-24(25)32/h6-11,15,19-20,28-29H,5,12H2,1-4H3,(H,26,30)(H,27,32)/t15?,19-,20-,25+/m1/s1	C25H29N3O5	451.515	8	4	116.76	4	7	0	-0.8282	2.34643	3.33	3.55	71.1049	124.5219	3.4026	422.943525364375
Cond-004701	NPD4759	NPD4759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6967625176	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCc3c[nH]c4c3cc(F)cc4)c12	InChI=1S/C27H27FN2O5/c1-15-10-24(32)34-26-18-6-8-27(2,3)35-21(18)12-22(25(15)26)33-14-23(31)29-9-7-16-13-30-20-5-4-17(28)11-19(16)20/h4-5,10-13,30H,6-9,14H2,1-3H3,(H,29,31)	C27H27FN2O5	478.512	7	2	89.65	5	7	0	0.8102	5.44665000000001	3.55	3.948	72.4806	136.9977	3.4507	426.713375856648
Cond-004702	NPD476	NPD476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6206078094	CCc1ccc(cc1)n1c(=O)[nH]c(=O)c(C2[NH+](C)CCc3cc4c(OCO4)c(OC)c23)c1[O-]	InChI=1S/C24H25N3O6/c1-4-13-5-7-15(8-6-13)27-23(29)18(22(28)25-24(27)30)19-17-14(9-10-26(19)2)11-16-20(21(17)31-3)33-12-32-16/h5-8,11,19,29H,4,9-10,12H2,1-3H3,(H,25,28,30)	C24H25N3O6	451.472	9	2	104.6	5	4	0	-2.4362	1.82886	3.11	3.145	65.4204	123.1864	3.2118	402.081308738269
Cond-004703	NPD4760	NPD4760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6660871725	CC1(C)CC(=O)c2c(O1)cc(OCC(=O)Nc1cc3c(OCCO3)cc1)cc2O	InChI=1S/C21H21NO7/c1-21(2)10-15(24)20-14(23)8-13(9-18(20)29-21)28-11-19(25)22-12-3-4-16-17(7-12)27-6-5-26-16/h3-4,7-9,23H,5-6,10-11H2,1-2H3,(H,22,25)	C21H21NO7	399.394	8	2	103.32	4	5	0	-1.525	5.13085	2.89	1.35	54.1321	113.3452	2.7998	351.982978546496
Cond-004704	NPD4761	NPD4761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3774803421	CN(C)CCCNC(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C22H24N2O4/c1-24(2)12-6-11-23-21(25)15-27-17-9-10-18-19(16-7-4-3-5-8-16)14-22(26)28-20(18)13-17/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,23,25)	C22H24N2O4	380.437	6	1	67.87	3	9	0	-0.963300000000001	3.03597	3.22	4.664	55.5651	111.5157	2.93	363.625043278847
Cond-004705	NPD4762	NPD4762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6804949592	CC(Oc1ccc2c(oc(=O)cc2c2ccccc2)c1)C(=O)NCCCN(C)C	InChI=1S/C23H26N2O4/c1-16(23(27)24-12-7-13-25(2)3)28-18-10-11-19-20(17-8-5-4-6-9-17)15-22(26)29-21(19)14-18/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,24,27)	C23H26N2O4	394.464	6	1	67.87	3	9	1	-0.867300000000001	3.42447000000001	3.33	5.19	60.2246	116.1107	3.0709	380.921027904713
Cond-004706	NPD4763	NPD4763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.189618776	Cc1c(CCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)ccc12	InChI=1S/C24H24N2O5/c1-14-18-6-5-17(27)10-21(18)31-24(30)19(14)7-8-22(28)25-11-15-9-16(13-25)20-3-2-4-23(29)26(20)12-15/h2-6,10,15-16,27H,7-9,11-13H2,1H3/t15-,16+/m1/s1	C24H24N2O5	420.458	7	1	87.15	5	4	0	-1.1381	3.02985000000001	3.33	1.002	91.0318	116.3848	3.0533	393.194321829541
Cond-004707	NPD4764	NPD4764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.7853289652	CC(C)C[C@@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)NCCCO	InChI=1S/C26H34N2O6/c1-13(2)10-19(25(31)27-8-7-9-29)28-21(30)12-18-16(5)23-20(34-26(18)32)11-14(3)22-15(4)17(6)33-24(22)23/h11,13,19,29H,7-10,12H2,1-6H3,(H,27,31)(H,28,30)/t19-/m1/s1	C26H34N2O6	470.558	8	3	117.87	3	11	1	0.908399999999999	3.16173000000001	3.44	3.082	94.4032	132.7492	3.654	453.025893884236
Cond-004708	NPD4765	NPD4765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2313904836	COC(=O)c1ccc(Oc2c(C)oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1	InChI=1S/C27H22O8/c1-16-26(35-20-10-6-18(7-11-20)27(30)32-3)25(29)22-13-12-21(14-24(22)34-16)33-15-23(28)17-4-8-19(31-2)9-5-17/h4-14H,15H2,1-3H3	C27H22O8	474.459	8	0	97.36	4	9	1	-1.2186	4.52368	3.55	5.345	54.122	128.081	3.3891	429.470059290091
Cond-004709	NPD4766	NPD4766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0585898709	COc1ccc(CNC(=O)c2cc3c4n(c5ccccc35)c(=O)c3c(cccc3)c4n2)cc1	InChI=1S/C27H19N3O3/c1-33-17-12-10-16(11-13-17)15-28-26(31)22-14-21-18-6-4-5-9-23(18)30-25(21)24(29-22)19-7-2-3-8-20(19)27(30)32/h2-14H,15H2,1H3,(H,28,31)	C27H19N3O3	433.458	6	1	73.22	6	5	1	-1.3098	5.28467	3.77	5.833	26.911	131.7992	3.13480000000001	369.359830309386
Cond-004710	NPD4767	NPD4767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1124194623	Cc1c(CC(=O)Nc2ccc3OCOc3c2)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C25H21NO6/c1-13-16-9-18-15-4-2-3-5-19(15)31-22(18)11-21(16)32-25(28)17(13)10-24(27)26-14-6-7-20-23(8-14)30-12-29-20/h6-9,11H,2-5,10,12H2,1H3,(H,26,27)	C25H21NO6	431.437	7	1	87	6	4	0	-0.687300000000001	6.34054	3.44	3.935	55.8945	125.6057	3.0015	371.490855546202
Cond-004711	NPD4768	NPD4768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9861470581	CN(C)CCCNC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C23H26N2O4/c1-16-20(28-15-21(26)24-12-7-13-25(2)3)11-10-18-19(14-22(27)29-23(16)18)17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,24,26)	C23H26N2O4	394.464	6	1	67.87	3	9	0	-0.321300000000003	3.61949	3.33	4.776	61.0672	117.4827	3.0709	380.921027904713
Cond-004712	NPD4769	NPD4769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3220927655	CC(Oc1c2c(oc(=O)c(C)c2C)cc(C)c1)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C25H26N2O4/c1-14-11-21(23-15(2)16(3)25(29)31-22(23)12-14)30-17(4)24(28)26-10-9-18-13-27-20-8-6-5-7-19(18)20/h5-8,11-13,17,27H,9-10H2,1-4H3,(H,26,28)	C25H26N2O4	418.485	6	2	80.42	4	7	0	0.863600000000001	4.50978000000001	3.55	4.602	61.4225	124.8027	3.2011	389.620079754847
Cond-004713	NPD4770	NPD4770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9927330863	COc1cc2c(cc1OC)C(N(CC2)C(=O)C)c1c(O)nc(O)n(Cc2ccccc2)c1=O	InChI=1S/C24H25N3O6/c1-14(28)26-10-9-16-11-18(32-2)19(33-3)12-17(16)21(26)20-22(29)25-24(31)27(23(20)30)13-15-7-5-4-6-8-15/h4-8,11-12,21,29H,9-10,13H2,1-3H3,(H,25,31)	C24H25N3O6	451.472	9	2	111.9	4	6	0	-0.532900000000001	2.25267	3.11	3.065	70.1077	122.3426	3.2774	411.801308738269
Cond-004714	NPD4771	NPD4771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2113929355	COc1ccc(cc1)C1(CNC(=O)N[C@@H](CC(C)C)C(=O)O)CCOCC1	InChI=1S/C20H30N2O5/c1-14(2)12-17(18(23)24)22-19(25)21-13-20(8-10-27-11-9-20)15-4-6-16(26-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1	C20H30N2O5	378.463	7	3	96.89	2	10	0	-0.2258	2.77579	2.89	3.044	73.7999	105.3812	2.9875	371.625594231674
Cond-004715	NPD4772	NPD4772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.337556871	C[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1)C(=O)NCc1ccco1	InChI=1S/C21H20N4O3/c1-12-19-16(15-7-3-4-8-17(15)25-19)10-18(23-12)21(27)24-13(2)20(26)22-11-14-6-5-9-28-14/h3-10,13,25H,11H2,1-2H3,(H,22,26)(H,24,27)/t13-/m0/s1	C21H20N4O3	376.408	7	3	100.02	4	7	0	-1.4988	2.7647	3	2.963	39.4683	112.1974	2.7784	322.739434967152
Cond-004716	NPD4773	NPD4773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4394278486	Cc1cc2c(NC(=O)[C@@]32[C@@H](C(=O)c2ccccc2)[C@@]2([C@@H]4CCCN34)C(=O)Nc3c2cccc3)cc1	InChI=1S/C29H25N3O3/c1-17-13-14-22-20(16-17)29(27(35)31-22)25(24(33)18-8-3-2-4-9-18)28(23-12-7-15-32(23)29)19-10-5-6-11-21(19)30-26(28)34/h2-6,8-11,13-14,16,23,25H,7,12,15H2,1H3,(H,30,34)(H,31,35)/t23-,25-,28+,29+/m0/s1	C29H25N3O3	463.527	6	2	78.51	7	2	1	-2.2924	4.8769	3.99	5.124	51.1075	134.3469	3.39400000000001	418.668258261919
Cond-004717	NPD4774	NPD4774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7391034397	CC(=C)COc1ccc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1C	InChI=1S/C23H24N2O4/c1-14(2)13-28-20-6-5-18-15(3)19(23(27)29-22(18)16(20)4)11-21(26)25-12-17-7-9-24-10-8-17/h5-10H,1,11-13H2,2-4H3,(H,25,26)	C23H24N2O4	392.448	6	1	77.52	3	8	0	1.6925	4.15768000000001	3.33	2.742	62.6377	114.8637	3.0279	378.284569203913
Cond-004718	NPD4775	NPD4775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7756238146	CCN(CC)Cc1c2c(ccc1O)n1c3c2ccnc3c2c(cccc2)c1=O	InChI=1S/C23H21N3O2/c1-3-25(4-2)13-17-19(27)10-9-18-20(17)16-11-12-24-21-14-7-5-6-8-15(14)23(28)26(18)22(16)21/h5-12,27H,3-4,13H2,1-2H3	C23H21N3O2	371.432	5	1	58.36	5	4	0	-0.364900000000001	4.50839000000001	3.44	3.801	37.5973	116.528	2.7931	325.187958609358
Cond-004719	NPD4776	NPD4776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.161815893	Cc1coc2c3c(oc(=O)c(CC(=O)NC(Cc4ccc(Cl)cc4)C(=O)O)c3C)cc(C)c12	InChI=1S/C25H22ClNO6/c1-12-8-19-22(23-21(12)13(2)11-32-23)14(3)17(25(31)33-19)10-20(28)27-18(24(29)30)9-15-4-6-16(26)7-5-15/h4-8,11,18H,9-10H2,1-3H3,(H,27,28)(H,29,30)	C25H22ClNO6	467.898	7	2	105.84	4	7	0	1.5672	4.58891	3.33	4.017	65.3093	125.3045	3.2981	408.778382017435
Cond-004720	NPD4778	NPD4778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6646884273	COc1cc(OC)c(cc1)c1c(C)c2ccc([O-])c(C[NH+]3CCN(C)CC3)c2oc1=O	InChI=1S/C24H28N2O5/c1-15-17-7-8-20(27)19(14-26-11-9-25(2)10-12-26)23(17)31-24(28)22(15)18-6-5-16(29-3)13-21(18)30-4/h5-8,13,27H,9-12,14H2,1-4H3	C24H28N2O5	424.49	7	1	75.5	4	5	0	-1.5406	2.38597	3.33	2.026	66.4595	121.6577	3.2049	397.287239231141
Cond-004721	NPD4779	NPD4779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.626753606	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CO	InChI=1S/C18H25N3O5/c1-11(10-22)19-17(24)12(2)20-18(25)13-8-16(23)21(9-13)14-4-6-15(26-3)7-5-14/h4-7,11-13,22H,8-10H2,1-3H3,(H,19,24)(H,20,25)/t11-,12-,13?/m0/s1	C18H25N3O5	363.408	8	3	107.97	2	9	0	-2.6081	0.810780000000001	2.56	0.00900000000000012	68.3182	99.4162000000001	2.7625	345.393926487308
Cond-004722	NPD478	NPD478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.8947694212	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1c(O)ccc(Br)c1)(C(C)C)C2=O	InChI=1S/C20H27BrN2O2/c1-12(2)19-8-22-10-20(13(3)4,18(19)25)11-23(9-19)17(22)15-7-14(21)5-6-16(15)24/h5-7,12-13,17,24H,8-11H2,1-4H3/t17?,19-,20+	C20H27BrN2O2	407.345	4	1	43.78	1	3	0	0.775900000000002	3.97009	3.11	3.137	78.1086	106.393	2.8122	342.462074406758
Cond-004723	NPD4780	NPD4780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.715668123	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)Nc3nccs3)c12	InChI=1S/C20H20N2O5S/c1-11-8-16(24)26-18-12-4-5-20(2,3)27-13(12)9-14(17(11)18)25-10-15(23)22-19-21-6-7-28-19/h6-9H,4-5,10H2,1-3H3,(H,21,22,23)	C20H20N2O5S	400.448	7	1	114.99	4	5	0	1.0743	5.23935	2.78	2.672	66.9376	111.5407	2.8048	346.612324785274
Cond-004724	NPD4781	NPD4781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.7435093563	CCCCOC(=O)c1ccc(cc1)N1COc2c(C1)cc1c3c(CCCC3)c(=O)oc1c2C	InChI=1S/C27H29NO5/c1-3-4-13-31-26(29)18-9-11-20(12-10-18)28-15-19-14-23-21-7-5-6-8-22(21)27(30)33-25(23)17(2)24(19)32-16-28/h9-12,14H,3-8,13,15-16H2,1-2H3	C27H29NO5	447.523	6	0	65.07	5	6	1	-0.5517	6.01451000000001	3.77	5.703	71.4152	131.335	3.3762	423.185515498975
Cond-004725	NPD4782	NPD4782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5019103157	COc1ccc2c(C)c(CC(=O)NCC(O)c3ccccc3)c(=O)oc2c1OC	InChI=1S/C22H23NO6/c1-13-15-9-10-18(27-2)21(28-3)20(15)29-22(26)16(13)11-19(25)23-12-17(24)14-7-5-4-6-8-14/h4-10,17,24H,11-12H2,1-3H3,(H,23,25)	C22H23NO6	397.421	7	2	94.09	3	8	0	-0.575200000000002	2.84707	3.11	3.077	56.9692	110.2675	2.9476	370.208736471802
Cond-004726	NPD4783	NPD4783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0561447893	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cccc1)C(C)O)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C21H22ClN3O4/c1-11(26)16-10-14(19(27)23-17-9-12(22)7-8-18(17)29-2)21(25-16)13-5-3-4-6-15(13)24-20(21)28/h3-9,11,14,16,25-26H,10H2,1-2H3,(H,23,27)(H,24,28)/t11?,14-,16-,21+/m1/s1	C21H22ClN3O4	415.87	7	4	99.69	4	5	0	-1.6813	3.64128	2.89	2.786	56.7499	113.3119	2.9457	362.81688663158
Cond-004727	NPD4784	NPD4784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1556774762	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1c(C)c(C)ccc1	InChI=1S/C23H25NO3/c1-4-5-8-17-12-22(25)27-23-18(17)10-11-21-19(23)13-24(14-26-21)20-9-6-7-15(2)16(20)3/h6-7,9-12H,4-5,8,13-14H2,1-3H3	C23H25NO3	363.449	4	0	38.77	4	4	1	0.7723	5.94151000000001	3.55	6.162	56.3698	111.482	2.8468	351.414040995985
Cond-004728	NPD4785	NPD4785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7817298923	CC(Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C25H26N2O4/c1-14-15(2)25(29)31-23-16(3)22(10-9-19(14)23)30-17(4)24(28)26-12-11-18-13-27-21-8-6-5-7-20(18)21/h5-10,13,17,27H,11-12H2,1-4H3,(H,26,28)	C25H26N2O4	418.485	6	2	80.42	4	7	0	0.863600000000001	5.06528000000001	3.55	4.391	61.4225	127.1297	3.2011	389.620079754847
Cond-004729	NPD4786	NPD4786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1475138659	[C@@H]12C(Cc3c[nH]c4c3cccc4)NC3(C(=O)Nc4c3ccc(C)c4C)[C@@H]1C(=O)N(CCOC)C2=O	InChI=1S/C27H28N4O4/c1-14-8-9-18-23(15(14)2)29-26(34)27(18)22-21(24(32)31(25(22)33)10-11-35-3)20(30-27)12-16-13-28-19-7-5-4-6-17(16)19/h4-9,13,20-22,28,30H,10-12H2,1-3H3,(H,29,34)/t20?,21-,22+,27?/m1/s1	C27H28N4O4	472.536	8	3	103.53	6	5	0	-1.5408	2.30432	3.55	2.298	71.9784	132.9794	3.4653	421.492652021314
Cond-004730	NPD4787	NPD4787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0842549769	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(=O)O)c12	InChI=1S/C22H25NO7/c1-12-9-18(25)29-20-13-6-7-22(2,3)30-15(13)10-16(19(12)20)28-11-17(24)23-8-4-5-14(23)21(26)27/h9-10,14H,4-8,11H2,1-3H3,(H,26,27)/t14-/m0/s1	C22H25NO7	415.436	8	1	102.37	4	5	0	-0.477600000000001	3.61966	3	2.046	80.2216	112.9248	2.9837	382.815421873163
Cond-004731	NPD4788	NPD4788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.425124063	COc1cccc(c1)C(=O)CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O	InChI=1S/C21H20N2O4/c1-27-15-7-4-6-14(12-15)19(24)13-23-17-9-3-2-8-16(17)20(25)22-11-5-10-18(22)21(23)26/h2-4,6-9,12,18H,5,10-11,13H2,1H3/t18-/m0/s1	C21H20N2O4	364.394	6	0	66.92	4	4	0	-2.5085	2.49769	3.11	2.951	45.965	103.1995	2.6805	333.97259995218
Cond-004732	NPD4789	NPD4789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7160064572	CC(C)NC(=O)C1C2OC3(CN(C(=O)C13)c1ccc3OCOc3c1)C=C2	InChI=1S/C19H20N2O5/c1-10(2)20-17(22)15-13-5-6-19(26-13)8-21(18(23)16(15)19)11-3-4-12-14(7-11)25-9-24-12/h3-7,10,13,15-16H,8-9H2,1-2H3,(H,20,22)	C19H20N2O5	356.372	7	1	77.1	5	4	0	-1.8195	2.41426	2.78	0.679	67.1444	97.3787	2.4778	314.623774802607
Cond-004733	NPD479	NPD479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1812131818	COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C20H23NO8/c1-24-14-9-12(20(23)29-6)13(10-15(14)25-2)21-19(22)11-7-16(26-3)18(28-5)17(8-11)27-4/h7-10H,1-6H3,(H,21,22)	C20H23NO8	405.399	9	1	101.55	2	10	0	-0.882600000000001	2.73689	2.67	1.922	56.0089	107.9582	2.9348	368.190138022791
Cond-004734	NPD4790	NPD4790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6166832175	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)C(=O)/N=c\1/[nH]c2c(s1)cccc2	InChI=1S/C28H18N4O3S/c1-15(26(33)31-28-30-21-8-4-5-9-23(21)36-28)35-16-10-11-22-20(14-16)18-12-13-29-24-17-6-2-3-7-19(17)27(34)32(22)25(18)24/h2-15H,1H3,(H,30,31,33)	C28H18N4O3S	490.533	7	1	110.88	7	4	1	-1.032	7.81734000000001	3.66	6.543	39.5168	150.1852	3.38740000000001	401.168681799419
Cond-004735	NPD4792	NPD4792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.6703078451	COc1cc(CNC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)ccc1	InChI=1S/C28H21N3O4/c1-34-18-6-4-5-17(13-18)15-30-25(32)16-35-19-9-10-24-23(14-19)21-11-12-29-26-20-7-2-3-8-22(20)28(33)31(24)27(21)26/h2-14H,15-16H2,1H3,(H,30,32)	C28H21N3O4	463.484	7	1	82.45	6	7	0	-1.6657	4.23949	3.77	4.935	33.0921	135.8887	3.3344	395.446041635813
Cond-004736	NPD4793	NPD4793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.332050168	OC(=O)[C@@H]1Cc2c(CN1C(=O)Cn1cnc3ccccc3c1=O)cccc2	InChI=1S/C20H17N3O4/c24-18(11-22-12-21-16-8-4-3-7-15(16)19(22)25)23-10-14-6-2-1-5-13(14)9-17(23)20(26)27/h1-8,12,17H,9-11H2,(H,26,27)/t17-/m0/s1	C20H17N3O4	363.367	7	1	90.28	4	4	0	-1.8285	1.63238	2.89	3.267	47.1157	101.0523	2.5964	325.036916833679
Cond-004737	NPD4794	NPD4794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2776131199	O=C(NCCc1c[nH]c2ccccc12)C1CCCN(C1)c1c2nc[nH]c2ncn1	InChI=1S/C21H23N7O/c29-21(22-8-7-14-10-23-17-6-2-1-5-16(14)17)15-4-3-9-28(11-15)20-18-19(25-12-24-18)26-13-27-20/h1-2,5-6,10,12-13,15,23H,3-4,7-9,11H2,(H,22,29)(H,24,25,26,27)	C21H23N7O	389.454	8	3	102.59	5	6	0	-1.3491	3.01706000000001	2.89	1.958	46.5129	118.2467	2.8948	328.42926219053
Cond-004738	NPD4795	NPD4795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1693164732	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)Nc3cc(Cl)ccc3)c1C)c2	InChI=1S/C22H18ClNO4/c1-12-11-27-19-10-20-18(9-17(12)19)13(2)16(22(26)28-20)6-7-21(25)24-15-5-3-4-14(23)8-15/h3-5,8-11H,6-7H2,1-2H3,(H,24,25)	C22H18ClNO4	395.836	5	1	68.54	4	5	0	1.3221	6.37768	3.22	4.077	49.2651	111.8837	2.801	341.946433439513
Cond-004739	NPD4796	NPD4796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1006231988	CC(C)NC(=O)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(C)C	InChI=1S/C27H35N3O6/c1-12(2)24(26(33)29-13(3)4)30-21(32)11-28-20(31)10-18-16(7)23-19(36-27(18)34)9-14(5)22-15(6)17(8)35-25(22)23/h9,12-13,24H,10-11H2,1-8H3,(H,28,31)(H,29,33)(H,30,32)/t24-/m1/s1	C27H35N3O6	497.583	9	3	126.74	3	11	1	0.593499999999997	2.91383	3.44	2.708	102.2496	139.7081	3.8517	478.68218001747
Cond-004740	NPD4797	NPD4797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.905971513	COc1ccc(NC(=O)Cc2c(C)c3cc4c(oc(C)c4C)c(C)c3oc2=O)cc1	InChI=1S/C24H23NO5/c1-12-15(4)29-22-14(3)23-19(10-18(12)22)13(2)20(24(27)30-23)11-21(26)25-16-6-8-17(28-5)9-7-16/h6-10H,11H2,1-5H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	5	0	1.5451	5.37962	3.44	3.977	57.3345	118.5177	3.0191	370.117561621374
Cond-004741	NPD4798	NPD4798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.435606902	Cc1c2oc(=O)c(CC(=O)Nc3c(cccc3)C(=O)N)c(C)c2ccc1O	InChI=1S/C20H18N2O5/c1-10-12-7-8-16(23)11(2)18(12)27-20(26)14(10)9-17(24)22-15-6-4-3-5-13(15)19(21)25/h3-8,23H,9H2,1-2H3,(H2,21,25)(H,22,24)	C20H18N2O5	366.367	7	4	118.72	3	5	0	-0.4256	3.81778	2.89	2.359	47.1711	105.3526	2.6639	335.186842026874
Cond-004742	NPD4799	NPD4799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5737123433	Cc1cc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc(C)c1	InChI=1S/C25H21NO4/c1-16-10-17(2)12-19(11-16)26-24(27)15-29-20-8-9-21-22(18-6-4-3-5-7-18)14-25(28)30-23(21)13-20/h3-14H,15H2,1-2H3,(H,26,27)	C25H21NO4	399.439	5	1	64.63	4	6	1	0.3677	5.2629	3.66	7.642	39.9419	117.9297	3.0153	373.35040214508
Cond-004743	NPD48	NPD48	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6906375533	CCC1(C)C[C@@](CCNCc2ccc(cc2)N(C)C)(CCO1)c1ccccc1OC	InChI=1S/C26H38N2O2/c1-6-25(2)20-26(16-18-30-25,23-9-7-8-10-24(23)29-5)15-17-27-19-21-11-13-22(14-12-21)28(3)4/h7-14,27H,6,15-20H2,1-5H3/t25?,26-/m1/s1	C26H38N2O2	410.592	4	1	33.73	3	9	1	0.00680000000000004	5.31929000000001	3.88	5.853	73.7874	126.9517	3.5052	423.137904483592
Cond-004744	NPD480	NPD480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.476013618	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1c(O)ccc(Br)c1)C2=O	InChI=1S/C18H23BrN2O2/c1-3-17-8-20-10-18(4-2,16(17)23)11-21(9-17)15(20)13-7-12(19)5-6-14(13)22/h5-7,15,22H,3-4,8-11H2,1-2H3/t15?,17-,18+	C18H23BrN2O2	379.291	4	1	43.78	1	3	0	0.243899999999999	3.47809	2.89	2.121	70.274	97.299	2.5304	307.870105155024
Cond-004745	NPD4801	NPD4801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.196460889	CC(=O)c1cc(NC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)ccc1	InChI=1S/C24H21NO5/c1-13-12-29-21-11-22-20(10-19(13)21)14(2)18(24(28)30-22)7-8-23(27)25-17-6-4-5-16(9-17)15(3)26/h4-6,9-12H,7-8H2,1-3H3,(H,25,27)	C24H21NO5	403.427	6	1	85.61	4	6	0	0.3239	5.92688	3.44	3.483	54.4199	116.8782	2.9761	367.481102920574
Cond-004746	NPD4802	NPD4802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5916685231	COC(=O)c1ccc(COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C27H18N2O4/c1-32-27(31)17-8-6-16(7-9-17)15-33-18-10-11-23-22(14-18)20-12-13-28-24-19-4-2-3-5-21(19)26(30)29(23)25(20)24/h2-14H,15H2,1H3	C27H18N2O4	434.443	6	0	70.42	6	5	1	-0.7661	6.21246	3.77	5.765	25.7612	131.8095	3.09370000000001	367.15329680178
Cond-004747	NPD4803	NPD4803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6157245985	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(OC)ccc3)cc12	InChI=1S/C23H25NO4/c1-4-5-7-16-11-21(25)28-23-15(2)22-17(10-20(16)23)13-24(14-27-22)18-8-6-9-19(12-18)26-3/h6,8-12H,4-5,7,13-14H2,1-3H3	C23H25NO4	379.449	5	0	48	4	5	1	0.078499999999999	5.86738000000001	3.44	5.184	58.1835	114.128	2.9055	360.204267696547
Cond-004748	NPD4804	NPD4804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9126845134	CC[N+](C)(C)CCc1c(/C=C/c2ccc(OC)cc2)cc(OC)c(OC)c1	InChI=1S/C23H32NO3/c1-7-24(2,3)15-14-20-17-23(27-6)22(26-5)16-19(20)11-8-18-9-12-21(25-4)13-10-18/h8-13,16-17H,7,14-15H2,1-6H3/q+1/b11-8+	C23H32NO3+	370.505	4	0	27.69	2	9	1	-0.307000000000001	4.73078000000001	3.55	5.125	62.8139	112.8954	3.1285	380.081646448786
Cond-004749	NPD4806	NPD4806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.8595081807	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3c(C)c(C)ccc3)cc12	InChI=1S/C24H27NO3/c1-5-6-9-18-12-22(26)28-24-17(4)23-19(11-20(18)24)13-25(14-27-23)21-10-7-8-15(2)16(21)3/h7-8,10-12H,5-6,9,13-14H2,1-4H3	C24H27NO3	377.476	4	0	38.77	4	4	1	1.4143	5.96953000000001	3.66	6.274	61.8719	115.122	2.9877	368.710025621852
Cond-004750	NPD4807	NPD4807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.1403938474	CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(CC3)C(=O)N)c12	InChI=1S/C21H26N2O5/c1-3-4-15-11-19(25)28-17-10-13(2)9-16(20(15)17)27-12-18(24)23-7-5-14(6-8-23)21(22)26/h9-11,14H,3-8,12H2,1-2H3,(H2,22,26)	C21H26N2O5	386.442	7	2	98.93	3	7	0	-1.7809	2.47179	3	1.971	74.4262	106.8374	2.9338	371.292202755141
Cond-004751	NPD4808	NPD4808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	112.774938902	CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(oc(C)c4C)c(C)c3oc2=O)cc1	InChI=1S/C25H23NO5/c1-12-16(5)30-23-14(3)24-20(10-19(12)23)13(2)21(25(29)31-24)11-22(28)26-18-8-6-17(7-9-18)15(4)27/h6-10H,11H2,1-5H3,(H,26,28)	C25H23NO5	417.454	6	1	85.61	4	5	0	1.343	5.57362000000001	3.55	3.923	60.7891	121.9702	3.117	384.777087546441
Cond-004752	NPD4809	NPD4809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1132075472	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCCO)cc31)c2=O	InChI=1S/C25H23N3O6/c1-32-19-7-5-16-21(24(19)33-2)25(31)28-18-6-4-14(34-13-20(30)26-9-3-11-29)12-17(18)15-8-10-27-22(16)23(15)28/h4-8,10,12,29H,3,9,11,13H2,1-2H3,(H,26,30)	C25H23N3O6	461.467	9	2	111.91	5	9	0	-2.4542	2.76979	3.22	1.443	50.5963	129.6205	3.2667	392.304375962535
Cond-004753	NPD4810	NPD4810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.880957169	Cc1coc2c3c(oc(=O)c(CC(=O)NC[C@H]4CC[C@@H](CC4)C(=O)O)c3C)cc(C)c12	InChI=1S/C24H27NO6/c1-12-8-18-21(22-20(12)13(2)11-30-22)14(3)17(24(29)31-18)9-19(26)25-10-15-4-6-16(7-5-15)23(27)28/h8,11,15-16H,4-7,9-10H2,1-3H3,(H,25,26)(H,27,28)/t15-,16-	C24H27NO6	425.474	7	2	105.84	4	6	0	1.5008	4.13061000000001	3.33	2.667	80.4493	116.6755	3.1638	395.080705723536
Cond-004754	NPD4811	NPD4811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0774577954	CCOC(=O)C(C)Oc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C25H22N2O6/c1-5-32-25(29)13(2)33-14-6-8-18-17(12-14)15-10-11-26-21-16-7-9-19(30-3)23(31-4)20(16)24(28)27(18)22(15)21/h6-13H,5H2,1-4H3	C25H22N2O6	446.452	8	0	88.88	5	7	0	-0.7367	5.79946	3.33	3.274	49.1959	130.5005	3.1669	381.307615754369
Cond-004755	NPD4812	NPD4812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8875496068	CC(Oc1ccc2c3c(CCC3)c(=O)oc2c1C)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C26H26N2O4/c1-15-23(11-10-20-19-7-5-8-21(19)26(30)32-24(15)20)31-16(2)25(29)27-13-12-17-14-28-22-9-4-3-6-18(17)22/h3-4,6,9-11,14,16,28H,5,7-8,12-13H2,1-2H3,(H,27,29)	C26H26N2O4	430.496	6	2	80.42	5	7	0	-0.583600000000001	5.20938000000001	3.66	4.41	63.0607	129.6327	3.2334	394.559605679913
Cond-004756	NPD4813	NPD4813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9481923585	CSCC[C@@H](NC(=O)[C@@H](NC(=O)N1CC(=Nc2ccccc12)O)C(C)C)C(=O)O	InChI=1S/C19H26N4O5S/c1-11(2)16(17(25)21-13(18(26)27)8-9-29-3)22-19(28)23-10-15(24)20-12-6-4-5-7-14(12)23/h4-7,11,13,16H,8-10H2,1-3H3,(H,20,24)(H,21,25)(H,22,28)(H,26,27)/t13-,16+/m1/s1	C19H26N4O5S	422.499	9	4	156.63	2	11	1	-1.1105	2.80997	2.45	2.351	79.6692	117.717	3.1237	389.559236678141
Cond-004757	NPD4814	NPD4814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4678206835	CC(C)C(=O)N1CCc2c([nH]c3c2cccc3)C21C(=O)N(CC=C)c1ccccc21	InChI=1S/C25H25N3O2/c1-4-14-27-21-12-8-6-10-19(21)25(24(27)30)22-18(13-15-28(25)23(29)16(2)3)17-9-5-7-11-20(17)26-22/h4-12,16,26H,1,13-15H2,2-3H3	C25H25N3O2	399.485	5	1	56.41	5	4	0	-0.254300000000001	4.07617000000001	3.66	4.29	59.596	121.751	3.0749	370.679927861091
Cond-004758	NPD4816	NPD4816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	17.0672375207	[C@@H]1(C[C@H](Cc2ccccc2)N[C@@]21C(=O)Nc1c2cc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C28H28ClN3O3/c1-16-11-17(2)25-21(12-16)28(27(34)31-25)22(15-20(32-28)13-18-7-5-4-6-8-18)26(33)30-23-14-19(29)9-10-24(23)35-3/h4-12,14,20,22,32H,13,15H2,1-3H3,(H,30,33)(H,31,34)/t20-,22+,28-/m0/s1	C28H28ClN3O3	489.993	6	3	79.46	5	6	1	0.1245	5.55922000000001	3.77	7.158	60.7583	139.0571	3.63570000000001	443.932717508886
Cond-004759	NPD4817	NPD4817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.9990069513	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCC(O)c4ccccc4)cc31)c2=O	InChI=1S/C30H25N3O6/c1-37-24-11-9-20-26(29(24)38-2)30(36)33-22-10-8-18(14-21(22)19-12-13-31-27(20)28(19)33)39-16-25(35)32-15-23(34)17-6-4-3-5-7-17/h3-14,23,34H,15-16H2,1-2H3,(H,32,35)	C30H25N3O6	523.536	9	2	111.91	6	9	0	-2.2282	3.77989	3.77	4.03	46.3704	148.5415	3.73360000000001	447.618464288669
Cond-004760	NPD4818	NPD4818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5754601227	COc1ccc(cc1OC)c1c(C)oc2cc(OCCOc3cc4c(cc3)c(=O)c(c(C)o4)c3ccc(OC)c(OC)c3)ccc2c1=O	InChI=1S/C38H34O10/c1-21-35(23-7-13-29(41-3)33(17-23)43-5)37(39)27-11-9-25(19-31(27)47-21)45-15-16-46-26-10-12-28-32(20-26)48-22(2)36(38(28)40)24-8-14-30(42-4)34(18-24)44-6/h7-14,17-20H,15-16H2,1-6H3	C38H34O10	650.671	10	0	107.98	6	11	2	-0.798200000000001	7.79595	4.54	6.4	84.1734	183.090499999999	4.71020000000001	593.784050071745
Cond-004761	NPD4819	NPD4819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.043884107	COc1ccc(NC(=O)CNC(=O)CNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C23H31N3O9/c1-22(2)32-16-17(33-22)19-21(35-23(3,4)34-19)31-18(16)20(29)25-10-14(27)24-11-15(28)26-12-6-8-13(30-5)9-7-12/h6-9,16-19,21H,10-11H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)/t16-,17+,18+,19-,21-/m1/s1	C23H31N3O9	493.507	12	3	142.68	4	10	1	-3.0612	1.09658	2.67	0.45	91.7498	123.6521	3.4846	442.321839017286
Cond-004762	NPD482	NPD482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8786081455	CCOc1cc(c/c(=N\c2cc(C)ccc2)/c2c(C)oc(C)c12)c1ccc(OC)cc1	InChI=1S/C27H27NO3/c1-6-30-25-16-21(20-10-12-23(29-5)13-11-20)15-24(26-18(3)31-19(4)27(25)26)28-22-9-7-8-17(2)14-22/h7-16H,6H2,1-5H3/b28-24+	C27H27NO3	413.508	4	0	43.96	4	5	1	1.5946	5.53544000000001	3.99	7.339	62.7844	124.227	3.2814	401.788603397052
Cond-004763	NPD4820	NPD4820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0858537307	Cc1c(CCC(=O)NC(Cc2c[nH]c3c2cc(O)cc3)C(=O)O)c(=O)oc2cc(O)ccc12	InChI=1S/C24H22N2O7/c1-12-16-4-2-15(28)10-21(16)33-24(32)17(12)5-7-22(29)26-20(23(30)31)8-13-11-25-19-6-3-14(27)9-18(13)19/h2-4,6,9-11,20,25,27-28H,5,7-8H2,1H3,(H,26,29)(H,30,31)	C24H22N2O7	450.441	9	5	148.95	4	8	0	-1.5856	3.33916000000001	3.11	1.533	60.365	124.5191	3.1933	396.058316529863
Cond-004764	NPD4821	NPD4821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.247056534	CC(C)CC(=O)N1CCc2c([nH]c3c2cccc3)C21C(=O)N(C)c1ccc(Br)cc21	InChI=1S/C24H24BrN3O2/c1-14(2)12-21(29)28-11-10-17-16-6-4-5-7-19(16)26-22(17)24(28)18-13-15(25)8-9-20(18)27(3)23(24)30/h4-9,13-14,26H,10-12H2,1-3H3	C24H24BrN3O2	466.37	5	1	56.41	5	3	0	-0.108900000000002	4.74638	3.44	4.682	62.7628	125.198	3.152	375.304020913591
Cond-004765	NPD4822	NPD4822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.911585744	CC(Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C26H28N2O5/c1-14-15(2)26(31)33-24-16(3)22(9-8-20(14)24)32-17(4)25(30)27-11-18-10-19(13-27)21-6-5-7-23(29)28(21)12-18/h5-9,17-19H,10-13H2,1-4H3/t17?,18-,19+/m1/s1	C26H28N2O5	448.511	7	0	76.15	5	4	0	0.2491	3.91477000000001	3.55	2.171	100.8974	127.217	3.3351	427.786291081275
Cond-004766	NPD4823	NPD4823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6399604352	CC(C)C(=O)Nc1c(oc2c1cccc2)c1cc(=O)oc2c1cc(C)cc2C	InChI=1S/C23H21NO4/c1-12(2)23(26)24-20-15-7-5-6-8-18(15)27-22(20)17-11-19(25)28-21-14(4)9-13(3)10-16(17)21/h5-12H,1-4H3,(H,24,26)	C23H21NO4	375.417	5	1	68.54	4	4	1	1.3038	4.91210000000001	3.44	5.135	50.4665	112.5227	2.8195	344.031350294946
Cond-004767	NPD4824	NPD4824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5884012844	CC[NH+](CC)Cc1c2occ(c(=O)c2ccc1[O-])c1ccc(OC)c(OC)c1	InChI=1S/C22H25NO5/c1-5-23(6-2)12-16-18(24)9-8-15-21(25)17(13-28-22(15)16)14-7-10-19(26-3)20(11-14)27-4/h7-11,13,24H,5-6,12H2,1-4H3	C22H25NO5	383.438	6	1	72.26	3	7	0	-2.2913	1.81998	3.22	2.779	54.6301	107.6487	2.9319	364.054968472041
Cond-004768	NPD4825	NPD4825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4392762947	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)NCCCCCC(=O)O	InChI=1S/C22H23NO6/c1-14-18(28-13-19(24)23-12-6-2-3-9-20(25)26)11-10-16-15-7-4-5-8-17(15)22(27)29-21(14)16/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3,(H,23,24)(H,25,26)	C22H23NO6	397.421	7	2	101.93	3	10	0	-1.4972	3.89201	3.11	3.941	50.6319	111.539	2.9476	370.208736471802
Cond-004769	NPD4826	NPD4826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9846187976	CCCc1cc(=O)oc2cc(OCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)ccc12	InChI=1S/C25H24N2O7/c1-2-3-14-9-24(30)34-22-11-17(5-6-18(14)22)33-13-23(29)27-21(25(31)32)8-15-12-26-20-7-4-16(28)10-19(15)20/h4-7,9-12,21,26,28H,2-3,8,13H2,1H3,(H,27,29)(H,31,32)	C25H24N2O7	464.467	9	4	137.95	4	10	0	-2.3058	3.64216	3.22	2.916	63.8855	129.4063	3.3342	413.35430115573
Cond-004770	NPD4827	NPD4827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3682981415	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cccc1C)C(C)O)C(=O)Nc1cc(OC)ccc1OC	InChI=1S/C23H27N3O5/c1-12-6-5-7-15-20(12)25-22(29)23(15)16(11-17(26-23)13(2)27)21(28)24-18-10-14(30-3)8-9-19(18)31-4/h5-10,13,16-17,26-27H,11H2,1-4H3,(H,24,28)(H,25,29)/t13?,16-,17-,23+/m1/s1	C23H27N3O5	425.478	8	4	108.92	4	6	0	-1.8354	3.0245	3.11	2.358	63.9522	118.4939	3.1638	390.988014813441
Cond-004771	NPD4828	NPD4828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.37824251	CSC[C@H](NC(=O)COc1c2c(C)c(C)c(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C22H27NO7S/c1-11-12(2)21(27)29-19-13-6-7-22(3,4)30-15(13)8-16(18(11)19)28-9-17(24)23-14(10-31-5)20(25)26/h8,14H,6-7,9-10H2,1-5H3,(H,23,24)(H,25,26)/t14-/m0/s1	C22H27NO7S	449.517	8	2	136.46	3	8	0	1.3444	3.86656	2.89	2.615	92.2457	123.1195	3.2558	413.680904631563
Cond-004772	NPD4829	NPD4829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5549557544	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCN1CCOCC1	InChI=1S/C27H30N4O3/c1-2-34-24-11-6-4-9-20(24)25-26-21(19-8-3-5-10-22(19)29-26)18-23(30-25)27(32)28-12-7-13-31-14-16-33-17-15-31/h3-6,8-11,18,29H,2,7,12-17H2,1H3,(H,28,32)	C27H30N4O3	458.552	7	2	79.48	5	9	0	-1.2159	4.57917000000001	3.66	4.236	58.053	140.8337	3.5152	414.158884021553
Cond-004773	NPD483	NPD483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9896832766	COc1ccc(CN(CCC2(Cc3ccccc3)CCOC(C)(C)C2)C(=O)C)cc1	InChI=1S/C26H35NO3/c1-21(28)27(19-23-10-12-24(29-4)13-11-23)16-14-26(15-17-30-25(2,3)20-26)18-22-8-6-5-7-9-22/h5-13H,14-20H2,1-4H3	C26H35NO3	409.561	4	0	38.77	3	9	1	0.716899999999999	5.14629000000001	3.88	7.548	70.5851	123.033	3.4211	418.294912275186
Cond-004774	NPD4830	NPD4830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0883813307	NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C28H22N4O5S/c29-38(35,36)19-8-5-17(6-9-19)11-13-30-25(33)16-37-18-7-10-24-23(15-18)21-12-14-31-26-20-3-1-2-4-22(20)28(34)32(24)27(21)26/h1-10,12,14-15H,11,13,16H2,(H,30,33)(H2,29,35,36)	C28H22N4O5S	526.563	9	3	141.76	6	8	0	-2.2948	4.78896	3.44	3.821	41.3697	145.2846	3.6564	433.742052602141
Cond-004775	NPD4831	NPD4831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7641264904	Cc1coc2c3c(oc(=O)c(CC(=O)Nc4cc5c(OCCO5)cc4)c3C)cc(C)c12	InChI=1S/C24H21NO6/c1-12-8-19-22(23-21(12)13(2)11-30-23)14(3)16(24(27)31-19)10-20(26)25-15-4-5-17-18(9-15)29-7-6-28-17/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,26)	C24H21NO6	419.427	7	1	87	5	4	0	0.872400000000001	5.63419	3.33	3.037	56.9488	118.9477	2.9692	366.551329621135
Cond-004776	NPD4833	NPD4833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2482896635	Brc1ccc2N(CC=C)C(=O)C3(NCCc4c3[nH]c3c4cccc3)c2c1	InChI=1S/C21H18BrN3O/c1-2-11-25-18-8-7-13(22)12-16(18)21(20(25)26)19-15(9-10-23-21)14-5-3-4-6-17(14)24-19/h2-8,12,23-24H,1,9-11H2	C21H18BrN3O	408.291	4	2	48.13	5	2	0	0.1146	3.94367	3.22	4.368	48.967	110.9027	2.6706	314.62584033543
Cond-004777	NPD4834	NPD4834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.635551142	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NCc4ccccc4)cc31)c2=O	InChI=1S/C30H25N3O5/c1-17(29(34)32-16-18-7-5-4-6-8-18)38-19-9-11-23-22(15-19)20-13-14-31-26-21-10-12-24(36-2)28(37-3)25(21)30(35)33(23)27(20)26/h4-15,17H,16H2,1-3H3,(H,32,34)	C30H25N3O5	507.537	8	1	91.68	6	8	1	-1.6215	4.63659000000001	3.88	5.228	45.0674	147.0357	3.67490000000001	438.828237588108
Cond-004778	NPD4835	NPD4835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.92151993	Cc1c(CC(=O)Nc2nc3c([nH]2)cccc3)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C24H23N3O4/c1-13-15-10-14-8-9-24(2,3)31-19(14)12-20(15)30-22(29)16(13)11-21(28)27-23-25-17-6-4-5-7-18(17)26-23/h4-7,10,12H,8-9,11H2,1-3H3,(H2,25,26,27,28)	C24H23N3O4	417.457	7	2	93.31	5	4	0	0.3651	5.96394000000001	3.33	4.51	59.6672	125.0587	3.0514	370.964396636347
Cond-004779	NPD4836	NPD4836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.956766539	CSC[C@H](NC(=O)COc1c2c3c(CCC3)c(=O)oc2c2CCC(C)(C)Oc2c1)C(=O)O	InChI=1S/C23H27NO7S/c1-23(2)8-7-14-16(31-23)9-17(29-10-18(25)24-15(11-32-3)21(26)27)19-12-5-4-6-13(12)22(28)30-20(14)19/h9,15H,4-8,10-11H2,1-3H3,(H,24,25)(H,26,27)/t15-/m0/s1	C23H27NO7S	461.528	8	2	136.46	4	8	0	-0.1028	4.01066	3	2.634	93.8839	125.6225	3.2881	418.62043055663
Cond-004780	NPD4837	NPD4837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2879241762	CSC[C@H](NC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1)C(=O)O	InChI=1S/C19H17NO6S/c1-27-10-15(18(22)23)20-17(21)9-25-11-6-7-13-12-4-2-3-5-14(12)19(24)26-16(13)8-11/h2-8,15H,9-10H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1	C19H17NO6S	387.406	7	2	127.23	3	8	0	-0.7742	2.71498	2.67	3.736	48.6588	106.2465	2.6884	336.829806651802
Cond-004781	NPD4838	NPD4838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	77.7722772277	CSCC[C@H](n1c(O)nc2ccccc2c1=O)C(=O)NCCC(=O)O	InChI=1S/C16H19N3O5S/c1-25-9-7-12(14(22)17-8-6-13(20)21)19-15(23)10-4-2-3-5-11(10)18-16(19)24/h2-5,12H,6-9H2,1H3,(H,17,22)(H,18,24)(H,20,21)/t12-/m0/s1	C16H19N3O5S	365.404	8	3	144.6	2	9	0	-0.766800000000001	1.53208	2.23	2.018	64.278	98.4428000000001	2.6012	326.674522592373
Cond-004782	NPD4839	NPD4839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5648154995	CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12	InChI=1S/C25H27NO6S/c1-2-3-9-18-12-24(28)32-22-13-19(10-11-20(18)22)31-14-23(27)26-21(25(29)30)16-33-15-17-7-5-4-6-8-17/h4-8,10-13,21H,2-3,9,14-16H2,1H3,(H,26,27)(H,29,30)/t21-/m0/s1	C25H27NO6S	469.55	7	2	127.23	3	13	2	-1.1617	4.27327	3.33	6.251	73.285	130.7305	3.4908	437.969255706202
Cond-004783	NPD484	NPD484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.0792079208	O=C(C1OC1c1cc2c(OCCCO2)cc1)c1c(OCc2ccccc2)cccc1	InChI=1S/C25H22O5/c26-23(19-9-4-5-10-20(19)29-16-17-7-2-1-3-8-17)25-24(30-25)18-11-12-21-22(15-18)28-14-6-13-27-21/h1-5,7-12,15,24-25H,6,13-14,16H2	C25H22O5	402.439	5	0	57.29	5	6	1	-1.3409	4.53828	3.66	5.92	35.5913	114.758	2.9516	364.060327338274
Cond-004784	NPD4840	NPD4840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1439920556	O=C(N1CCN(Cc2ccccc2)CC1)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C30H24N4O2/c35-29-23-12-5-4-11-22(23)27-28-24(21-10-6-7-13-26(21)34(28)29)18-25(31-27)30(36)33-16-14-32(15-17-33)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2	C30H24N4O2	472.537	6	0	58.44	7	4	1	-1.1984	5.30407000000001	4.1	6.695	41.342	145.2575	3.49	411.097858993791
Cond-004785	NPD4841	NPD4841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8416739103	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)NCCc3c[nH]c4c3cc(Cl)cc4)c(C)c1c2	InChI=1S/C27H25ClN2O4/c1-13-16(4)33-25-15(3)26-20(10-19(13)25)14(2)21(27(32)34-26)11-24(31)29-8-7-17-12-30-23-6-5-18(28)9-22(17)23/h5-6,9-10,12,30H,7-8,11H2,1-4H3,(H,29,31)	C27H25ClN2O4	476.951	6	2	84.33	5	6	0	2.188	5.54912000000001	3.66	4.261	68.0983	138.1467	3.4537	413.530199375413
Cond-004786	NPD4842	NPD4842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.5601058097	CCCCOc1ccc(cc1)N1COc2c(C1)cc1c(CCC)cc(=O)oc1c2C	InChI=1S/C25H29NO4/c1-4-6-12-28-21-10-8-20(9-11-21)26-15-19-13-22-18(7-5-2)14-23(27)30-25(22)17(3)24(19)29-16-26/h8-11,13-14H,4-7,12,15-16H2,1-3H3	C25H29NO4	407.502	5	0	48	4	7	1	-0.2489	6.64758000000001	3.66	5.965	66.0093	123.362	3.1873	394.79623694828
Cond-004787	NPD4843	NPD4843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2804937788	Cc1ccc(cc1)N1COc2c(C1)cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C	InChI=1S/C27H25NO3/c1-17-9-11-22(12-10-17)28-15-21-14-23-18(2)24(13-20-7-5-4-6-8-20)27(29)31-26(23)19(3)25(21)30-16-28/h4-12,14H,13,15-16H2,1-3H3	C27H25NO3	411.492	4	0	38.77	5	3	1	2.2439	6.32940000000001	3.99	8.112	48.7406	126.454	3.1728	389.432144696252
Cond-004788	NPD4844	NPD4844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.8649453823	COc1ccccc1CNC(=O)COc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C30H25N3O6/c1-36-23-7-5-4-6-17(23)15-32-25(34)16-39-18-8-10-22-21(14-18)19-12-13-31-27-20-9-11-24(37-2)29(38-3)26(20)30(35)33(22)28(19)27/h4-14H,15-16H2,1-3H3,(H,32,34)	C30H25N3O6	523.536	9	1	100.91	6	9	0	-1.7693	4.81219	3.77	3.836	47.7237	151.3197	3.7336	447.618464288669
Cond-004789	NPD4845	NPD4845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	85.4816006435	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NCCCO)c(C)c1c2)c1ccccc1	InChI=1S/C25H25NO5/c1-15-18(9-10-23(28)26-11-6-12-27)25(29)31-21-14-22-20(13-19(15)21)24(16(2)30-22)17-7-4-3-5-8-17/h3-5,7-8,13-14,27H,6,9-12H2,1-2H3,(H,26,28)	C25H25NO5	419.47	6	2	88.77	4	8	0	-0.349800000000002	4.68029000000001	3.55	4.702	58.7805	125.0205	3.16	387.413546247241
Cond-004790	NPD4846	NPD4846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.0547561754	Cc1c2oc(=O)c3c(CCC3)c2ccc1OCC(=O)N1CCC(CC1)C(=O)O	InChI=1S/C21H23NO6/c1-12-17(27-11-18(23)22-9-7-13(8-10-22)20(24)25)6-5-15-14-3-2-4-16(14)21(26)28-19(12)15/h5-6,13H,2-4,7-11H2,1H3,(H,24,25)	C21H23NO6	385.41	7	1	93.14	4	5	0	-1.4637	3.38059	3	1.655	72.0257	105.4918	2.7841	356.729210546735
Cond-004791	NPD4847	NPD4847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9342220492	[C@@H]1(C[C@H](Cc2ccccc2)N[C@@]21C(=O)Nc1c2cccc1)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C28H27N3O4/c1-2-35-26(33)19-12-14-20(15-13-19)29-25(32)23-17-21(16-18-8-4-3-5-9-18)31-28(23)22-10-6-7-11-24(22)30-27(28)34/h3-15,21,23,31H,2,16-17H2,1H3,(H,29,32)(H,30,34)/t21-,23+,28-/m0/s1	C28H27N3O4	469.532	7	3	96.53	5	8	1	-1.5904	4.15229000000001	3.77	7.052	53.1049	135.7071	3.52900000000001	434.875417738214
Cond-004792	NPD4848	NPD4848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.2651419519	COc1c(CNC(=O)[C@H](C)NC(=O)c2cc3c([nH]c4ccccc34)c(C)n2)cccc1	InChI=1S/C24H24N4O3/c1-14-22-18(17-9-5-6-10-19(17)28-22)12-20(26-14)24(30)27-15(2)23(29)25-13-16-8-4-7-11-21(16)31-3/h4-12,15,28H,13H2,1-3H3,(H,25,29)(H,27,30)/t15-/m0/s1	C24H24N4O3	416.472	7	3	96.11	4	8	0	-1.3965	3.755	3.33	4.123	45.165	126.3814	3.1581	371.990930143952
Cond-004793	NPD4849	NPD4849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.6664023589	O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1	InChI=1S/C22H23N3O4/c26-21(24-16-7-8-19-20(11-16)29-13-28-19)18-6-3-9-25(18)22(27)17-10-14-4-1-2-5-15(14)12-23-17/h1-2,4-5,7-8,11,17-18,23H,3,6,9-10,12-13H2,(H,24,26)/t17-,18-/m0/s1	C22H23N3O4	393.436	7	2	79.9	5	5	0	-2.7973	3.05457	3.11	3.138	52.4137	111.4944	2.8556	352.545344786213
Cond-004794	NPD485	NPD485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9996056296	COC(=O)C1C[C@@]2(C)C(CC=C2C(=O)COC(=O)C)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C25H29FO6/c1-14(27)32-13-21(29)19-8-7-17-18-6-5-15-11-16(28)9-10-24(15,3)25(18,26)20(22(30)31-4)12-23(17,19)2/h8-11,17-18,20H,5-7,12-13H2,1-4H3/t17?,18?,20?,23-,24-,25-/m0/s1	C25H29FO6	444.493	6	0	86.74	4	6	0	0.955099999999997	3.46646	3.44	2.395	115.6791	115.393	3.2656	431.883947692342
Cond-004795	NPD4850	NPD4850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.7286468271	COc1cc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)NCC(=O)O)c3)C2=O)cc1OC	InChI=1S/C22H21NO9/c1-28-15-9-18(30-3)17(29-2)6-12(15)7-19-22(27)14-5-4-13(8-16(14)32-19)31-11-20(24)23-10-21(25)26/h4-9H,10-11H2,1-3H3,(H,23,24)(H,25,26)/b19-7-	C22H21NO9	443.403	10	2	129.62	3	10	0	-1.9846	2.96096	2.78	1.567	63.9627	117.919	3.0807	393.942957872685
Cond-004796	NPD4851	NPD4851	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.6194645984	CCC(=O)N(CCC1(CCOC(C1)C(C)C)c1c(OC)cccc1)Cc1ccccc1	InChI=1S/C27H37NO3/c1-5-26(29)28(20-22-11-7-6-8-12-22)17-15-27(16-18-31-25(19-27)21(2)3)23-13-9-10-14-24(23)30-4/h6-14,21,25H,5,15-20H2,1-4H3	C27H37NO3	423.588	4	0	38.77	3	10	1	0.00650000000000073	5.49129000000001	3.99	7.048	75.0161	127.738	3.562	435.590896901053
Cond-004797	NPD4852	NPD4852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8924930262	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCc3ncccc3)c(C)c1c2)c1ccccc1	InChI=1S/C27H22N2O4/c1-16-20-12-22-24(32-17(2)26(22)18-8-4-3-5-9-18)14-23(20)33-27(31)21(16)13-25(30)29-15-19-10-6-7-11-28-19/h3-12,14H,13,15H2,1-2H3,(H,29,30)	C27H22N2O4	438.475	6	1	81.43	5	6	1	0.3245	5.62339	3.77	6.148	43.7267	132.3257	3.2453	393.04621420338
Cond-004798	NPD4853	NPD4853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.020985968	CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCc3c[nH]c4c3cc(OC)cc4)c12	InChI=1S/C29H32N2O6/c1-5-17-12-26(33)36-28-20-8-10-29(2,3)37-23(20)14-24(27(17)28)35-16-25(32)30-11-9-18-15-31-22-7-6-19(34-4)13-21(18)22/h6-7,12-15,31H,5,8-11,16H2,1-4H3,(H,30,32)	C29H32N2O6	504.574	8	2	98.88	5	9	0	-0.0564000000000011	5.70625000000001	3.77	4.009	83.7723	148.2087	3.7735	464.028012958636
Cond-004799	NPD4854	NPD4854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7780012065	Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C23H27NO7/c1-12-13(2)22(28)30-20-14-7-8-23(3,4)31-16(14)10-17(19(12)20)29-11-18(25)24-9-5-6-15(24)21(26)27/h10,15H,5-9,11H2,1-4H3,(H,26,27)/t15-/m0/s1	C23H27NO7	429.463	8	1	102.37	4	5	0	0.0754999999999998	4.00976000000001	3.11	2.227	84.5787	117.5418	3.1246	400.11140649903
Cond-004800	NPD4855	NPD4855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0593310163	CCCc1cc(=O)oc2cc(OC(C)C(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)ccc12	InChI=1S/C26H26N2O7/c1-3-4-15-10-24(30)35-23-12-18(6-7-19(15)23)34-14(2)25(31)28-22(26(32)33)9-16-13-27-21-8-5-17(29)11-20(16)21/h5-8,10-14,22,27,29H,3-4,9H2,1-2H3,(H,28,31)(H,32,33)	C26H26N2O7	478.494	9	4	137.95	4	10	0	-2.2098	4.03066000000001	3.33	3.442	68.545	134.0013	3.4751	430.650285781597
Cond-004801	NPD4857	NPD4857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2730883813	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)NCCc1c[nH]c2ccccc12	InChI=1S/C30H22N4O3/c35-27(31-13-11-18-16-33-25-8-4-3-5-20(18)25)17-37-19-9-10-26-24(15-19)22-12-14-32-28-21-6-1-2-7-23(21)30(36)34(26)29(22)28/h1-10,12,14-16,33H,11,13,17H2,(H,31,35)	C30H22N4O3	486.521	7	2	89.01	7	7	1	-1.7787	6.59415000000001	3.99	5.391	33.5281	152.6542	3.5057	406.351626993552
Cond-004802	NPD4858	NPD4858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8377397615	CC(C)C(=O)Nc1c(oc2c1cccc2)c1cc(=O)oc2c1cc(C)c(C)c2	InChI=1S/C23H21NO4/c1-12(2)23(26)24-21-15-7-5-6-8-18(15)28-22(21)17-11-20(25)27-19-10-14(4)13(3)9-16(17)19/h5-12H,1-4H3,(H,24,26)	C23H21NO4	375.417	5	1	68.54	4	4	1	1.3038	4.91210000000001	3.44	5.346	50.4665	112.5227	2.8195	344.031350294946
Cond-004803	NPD4859	NPD4859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8360978773	COc1c(OC)c2c(cc1)c1ncc(c3c1n(c1ccccc31)c2=O)c1ccccc1	InChI=1S/C26H18N2O3/c1-30-20-13-12-17-22(25(20)31-2)26(29)28-19-11-7-6-10-16(19)21-18(14-27-23(17)24(21)28)15-8-4-3-5-9-15/h3-14H,1-2H3	C26H18N2O3	406.433	5	0	53.35	6	3	1	-0.7384	5.60779	3.77	6.296	22.0731	125.733	2.93710000000001	343.703544176152
Cond-004804	NPD486	NPD486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9275533856	[C@@H](Cc1ccc(O)cc1)(NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C)cc1)C(=O)O	InChI=1S/C19H22N2O7S/c1-12-2-8-15(9-3-12)29(27,28)21-17(11-22)18(24)20-16(19(25)26)10-13-4-6-14(23)7-5-13/h2-9,16-17,21-23H,10-11H2,1H3,(H,20,24)(H,25,26)/t16-,17-/m0/s1	C19H22N2O7S	422.452	9	5	161.41	2	10	0	-2.3299	0.619300000000002	2.45	1.525	52.6569	101.5938	2.9985	371.60971096213
Cond-004805	NPD4860	NPD4860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.909632572	COC(=O)C(C)Oc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1CC(=C)C	InChI=1S/C28H26N2O6/c1-14(2)13-18-20(36-15(3)28(32)35-6)10-8-19-22(18)17-11-12-29-24-16-7-9-21(33-4)26(34-5)23(16)27(31)30(19)25(17)24/h7-12,15H,1,13H2,2-6H3	C28H26N2O6	486.516	8	0	88.88	5	8	0	0.622999999999998	6.45415000000001	3.66	3.797	63.9323	144.1315	3.5466	430.559110931169
Cond-004806	NPD4861	NPD4861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1894228836	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NCC(=O)O)c2C)c1)c1ccccc1	InChI=1S/C23H19NO6/c1-12-8-17-21(22-20(12)16(11-29-22)14-6-4-3-5-7-14)13(2)15(23(28)30-17)9-18(25)24-10-19(26)27/h3-8,11H,9-10H2,1-2H3,(H,24,25)(H,26,27)	C23H19NO6	405.4	7	2	105.84	4	6	0	0.0738000000000003	4.1943	3.22	4.092	50.5654	114.9695	2.8939	358.975344995269
Cond-004807	NPD4862	NPD4862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.690750229	CN(CCCc1ccco1)C(=O)Cc1c(C)c2cc3c(OC(C)(C)CC3)cc2oc1=O	InChI=1S/C25H29NO5/c1-16-19-13-17-9-10-25(2,3)31-21(17)15-22(19)30-24(28)20(16)14-23(27)26(4)11-5-7-18-8-6-12-29-18/h6,8,12-13,15H,5,7,9-11,14H2,1-4H3	C25H29NO5	423.501	6	0	68.98	4	7	0	0.712899999999998	5.60976000000001	3.55	4.097	75.7586	123.285	3.246	403.586463648841
Cond-004808	NPD4863	NPD4863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.9543197617	COCCCNC(=O)C(C)Oc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C27H27N3O6/c1-15(26(31)29-11-5-13-33-2)36-16-6-8-20-19(14-16)17-10-12-28-23-18-7-9-21(34-3)25(35-4)22(18)27(32)30(20)24(17)23/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,29,31)	C27H27N3O6	489.52	9	1	100.91	5	10	0	-1.9497	3.81239	3.44	2.488	60.007	139.0057	3.5485	426.896345214269
Cond-004809	NPD4864	NPD4864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.695919425	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)N3CCC(CC3)C(=O)N)cc2O1	InChI=1S/C25H30N2O6/c1-25(2)9-6-17-18(33-25)12-19(21-15-4-3-5-16(15)24(30)32-22(17)21)31-13-20(28)27-10-7-14(8-11-27)23(26)29/h12,14H,3-11,13H2,1-2H3,(H2,26,29)	C25H30N2O6	454.515	8	2	108.16	5	5	0	-1.7427	3.80216000000001	3.33	1.443	91.4501	126.1724	3.3389	424.553450557569
Cond-004810	NPD4865	NPD4865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1860176332	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3cccnc3)c(C)c1c2	InChI=1S/C22H20N2O4/c1-12-14(3)27-19-10-20-18(9-17(12)19)13(2)16(22(26)28-20)6-7-21(25)24-15-5-4-8-23-11-15/h4-5,8-11H,6-7H2,1-3H3,(H,24,25)	C22H20N2O4	376.405	6	1	81.43	4	5	0	1.0173	5.1281	3.22	3.082	49.382	110.7377	2.7784	337.732125877246
Cond-004811	NPD4866	NPD4866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9175769613	COc1ccc(NC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C27H19N3O4/c1-33-17-8-6-16(7-9-17)29-24(31)15-34-18-10-11-23-22(14-18)20-12-13-28-25-19-4-2-3-5-21(19)27(32)30(23)26(20)25/h2-14H,15H2,1H3,(H,29,31)	C27H19N3O4	449.457	7	1	82.45	6	6	0	-1.6773	5.50138	3.66	4.992	28.3799	133.6707	3.19350000000001	378.150057009947
Cond-004812	NPD4867	NPD4867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7391034397	COC(=O)Cc1c(C)c2cc3c(OCN(Cc4cccc(OC)c4)C3)c(C)c2oc1=O	InChI=1S/C24H25NO6/c1-14-19-9-17-12-25(11-16-6-5-7-18(8-16)28-3)13-30-22(17)15(2)23(19)31-24(27)20(14)10-21(26)29-4/h5-9H,10-13H2,1-4H3	C24H25NO6	423.458	7	0	74.3	4	6	0	1.1515	3.75939	3.33	3.228	67.2031	117.737	3.1208	392.444247022735
Cond-004813	NPD4868	NPD4868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3831743449	Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(I)ccc3)ccc12	InChI=1S/C18H14INO4/c1-11-7-18(22)24-16-9-14(5-6-15(11)16)23-10-17(21)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,21)	C18H14INO4	435.213	5	1	64.63	3	5	0	1.1458	4.78306	2.78	4.251	48.386	103.4967	2.5248	308.721146237478
Cond-004814	NPD4869	NPD4869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	79.2838376958	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cccc1)C(C)C)C(=O)Nc1cc(OC)ccc1OC	InChI=1S/C23H27N3O4/c1-13(2)18-12-16(21(27)24-19-11-14(29-3)9-10-20(19)30-4)23(26-18)15-7-5-6-8-17(15)25-22(23)28/h5-11,13,16,18,26H,12H2,1-4H3,(H,24,27)(H,25,28)/t16-,18-,23+/m1/s1	C23H27N3O4	409.478	7	3	88.69	4	6	0	-1.4451	4.27168	3.22	3.573	60.8567	118.0111	3.1051	382.19778811288
Cond-004815	NPD487	NPD487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0759178594	CC(=O)OC[C@H]1OC(Oc2c(Cl)cc3c(oc(=O)cc3c3ccccc3)c2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C29H27ClO12/c1-14(31)36-13-24-26(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(42-24)41-23-12-22-20(10-21(23)30)19(11-25(35)40-22)18-8-6-5-7-9-18/h5-12,24,26-29H,13H2,1-4H3/t24-,26-,27+,28-,29?/m1/s1	C29H27ClO12	602.97	12	0	149.96	4	12	2	0.127899999999999	3.70457	3.22	5.423	92.5146	147.434	4.0711	527.970461815303
Cond-004816	NPD4870	NPD4870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.5270892525	CCCCOC(=O)c1ccc(cc1)N1COc2c(C1)cc1c(CC)cc(=O)oc1c2C	InChI=1S/C25H27NO5/c1-4-6-11-29-25(28)18-7-9-20(10-8-18)26-14-19-12-21-17(5-2)13-22(27)31-24(21)16(3)23(19)30-15-26/h7-10,12-13H,4-6,11,14-15H2,1-3H3	C25H27NO5	421.486	6	0	65.07	4	7	1	0.2953	6.03548000000001	3.55	5.398	67.3567	123.5325	3.203	400.950004948041
Cond-004817	NPD4871	NPD4871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.796174419	CC(Oc1c(Cl)cc2c(C)cc(=O)oc2c1)C(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C24H21ClN2O7/c1-11-5-22(29)34-20-9-21(17(25)8-15(11)20)33-12(2)23(30)27-19(24(31)32)6-13-10-26-18-4-3-14(28)7-16(13)18/h3-5,7-10,12,19,26,28H,6H2,1-2H3,(H,27,30)(H,31,32)	C24H21ClN2O7	484.886	9	4	137.95	4	8	0	-0.6492	3.90386	3	2.505	65.987	129.7773	3.31570000000001	411.269384300296
Cond-004818	NPD4872	NPD4872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6626102074	COc1ccc(CCNC(=O)Cc2c(C)c3c(OCC(=C)C)cc(C)cc3oc2=O)cc1	InChI=1S/C26H29NO5/c1-16(2)15-31-22-12-17(3)13-23-25(22)18(4)21(26(29)32-23)14-24(28)27-11-10-19-6-8-20(30-5)9-7-19/h6-9,12-13H,1,10-11,14-15H2,2-5H3,(H,27,28)	C26H29NO5	435.512	6	1	73.86	3	10	0	1.8963	4.59778000000001	3.66	4.263	74.4053	126.9167	3.4095	427.965989573908
Cond-004819	NPD4873	NPD4873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.086400553	Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H26N2O5/c1-17-19-13-21-22(18-5-3-2-4-6-18)16-32-23(21)15-24(19)33-26(30)20(17)14-25(29)27-7-8-28-9-11-31-12-10-28/h2-6,13,15-16H,7-12,14H2,1H3,(H,27,29)	C26H26N2O5	446.495	7	1	81.01	5	7	0	-0.197900000000002	4.23117000000001	3.55	3.84	66.0723	129.8907	3.2921	403.349832380475
Cond-004820	NPD4874	NPD4874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3252204148	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)Nc3nc4c([nH]3)cccc4)c(C)c1c2	InChI=1S/C24H21N3O4/c1-12-14(3)30-20-11-21-17(10-16(12)20)13(2)15(23(29)31-21)8-9-22(28)27-24-25-18-6-4-5-7-19(18)26-24/h4-7,10-11H,8-9H2,1-3H3,(H2,25,26,27,28)	C24H21N3O4	415.441	7	2	97.22	5	5	0	0.5969	5.53269	3.33	4.299	52.682	124.0677	3.0084	357.427937935547
Cond-004821	NPD4875	NPD4875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.157925465	COc1ccc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1	InChI=1S/C21H21N3O4/c1-28-15-10-8-14(9-11-15)22-19(25)13-24-17-6-3-2-5-16(17)20(26)23-12-4-7-18(23)21(24)27/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,25)/t18-/m0/s1	C21H21N3O4	379.409	7	1	78.95	4	5	0	-2.8795	3.64617	3	2.695	48.0605	108.3872	2.7803	344.969360160346
Cond-004822	NPD4876	NPD4876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7589718117	CC(=C)COc1ccc2c(C)c(CC(=O)NCc3cnccc3)c(=O)oc2c1C	InChI=1S/C23H24N2O4/c1-14(2)13-28-20-8-7-18-15(3)19(23(27)29-22(18)16(20)4)10-21(26)25-12-17-6-5-9-24-11-17/h5-9,11H,1,10,12-13H2,2-4H3,(H,25,26)	C23H24N2O4	392.448	6	1	77.52	3	8	0	1.6925	4.15768000000001	3.33	2.742	62.6377	114.8637	3.0279	378.284569203913
Cond-004823	NPD4877	NPD4877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7527308838	COCCNC(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C23H19N3O4/c1-29-11-10-24-20(27)13-30-14-6-7-19-18(12-14)16-8-9-25-21-15-4-2-3-5-17(15)23(28)26(19)22(16)21/h2-9,12H,10-11,13H2,1H3,(H,24,27)	C23H19N3O4	401.415	7	1	82.45	5	7	0	-1.6541	3.01659	3.22	2.914	37.8043	116.6897	2.8675	340.13195330968
Cond-004824	NPD4878	NPD4878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.806956607	C[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1)C(=O)N1CCC[C@H]1CO	InChI=1S/C21H24N4O3/c1-12-19-16(15-7-3-4-8-17(15)24-19)10-18(22-12)20(27)23-13(2)21(28)25-9-5-6-14(25)11-26/h3-4,7-8,10,13-14,24,26H,5-6,9,11H2,1-2H3,(H,23,27)/t13-,14-/m0/s1	C21H24N4O3	380.44	7	3	98.32	4	6	0	-2.4198	2.1973	3	2.057	54.3471	111.7905	2.8644	338.912352368752
Cond-004825	NPD4879	NPD4879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8112127587	CC(C)CC(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)NC(C)C(=O)O	InChI=1S/C21H30N4O5/c1-11(2)10-15(18(26)22-13(5)20(28)29)24-21(30)25-16-9-7-6-8-14(16)23-19(27)17(25)12(3)4/h6-9,11-13,15,17H,10H2,1-5H3,(H,22,26)(H,23,27)(H,24,30)(H,28,29)	C21H30N4O5	418.487	9	4	131.33	2	10	0	-0.602499999999997	3.49147	2.78	3.341	81.9343	118.768	3.242	405.642181872275
Cond-004826	NPD488	NPD488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.1620903038	CO[C@H]1OC(CC(C)C1OCc1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1	InChI=1S/C33H34O4/c1-25-23-30(36-32(34-2)31(25)35-24-26-15-7-3-8-16-26)37-33(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30-32H,23-24H2,1-2H3/t25?,30?,31?,32-/m0/s1	C33H34O4	494.621	4	0	36.92	5	9	1	-0.728000000000001	5.78950000000001	4.65	12.301	40.3881	141.363	3.93410000000001	477.465060243047
Cond-004827	NPD4880	NPD4880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.693228665	CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(oc(C)c4C)c(C)c3oc2=O)cc1	InChI=1S/C25H24N2O5/c1-12-15(4)31-23-14(3)24-20(10-19(12)23)13(2)21(25(30)32-24)11-22(29)27-18-8-6-17(7-9-18)26-16(5)28/h6-10H,11H2,1-5H3,(H,26,28)(H,27,29)	C25H24N2O5	432.468	7	2	97.64	4	6	0	0.972000000000002	5.32942000000001	3.44	3.667	62.8846	126.2694	3.2168	395.773847754608
Cond-004828	NPD4881	NPD4881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1958614886	CC(CCc1ccco1)NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O	InChI=1S/C24H25NO5/c1-13-10-19-22(23-21(13)14(2)12-29-23)16(4)18(24(27)30-19)11-20(26)25-15(3)7-8-17-6-5-9-28-17/h5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,25,26)	C24H25NO5	407.459	6	1	81.68	4	7	0	0.9718	4.85391000000001	3.44	3.861	62.5653	115.2157	3.0621	372.754020322174
Cond-004829	NPD4882	NPD4882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.44722996	[C@@H](N)(C(C)CC)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccc(Cl)cc1Cl)co2	InChI=1S/C21H19Cl2NO5/c1-3-11(2)19(24)21(26)28-13-5-6-14-17(9-13)27-10-18(20(14)25)29-16-7-4-12(22)8-15(16)23/h4-11,19H,3,24H2,1-2H3/t11?,19-/m1/s1	C21H19Cl2NO5	436.285	6	2	87.85	3	7	1	-0.684800000000002	5.92936	2.89	5.294	59.8856	116.7339	2.9928	374.544660686241
Cond-004830	NPD4883	NPD4883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7283253868	[C@@H]1(C[C@@H]2CCCN2[C@@]21C(=O)Nc1c2cccc1)C(=O)Nc1cc(Cl)ccc1OC	InChI=1S/C22H22ClN3O3/c1-29-19-9-8-13(23)11-18(19)24-20(27)16-12-14-5-4-10-26(14)22(16)15-6-2-3-7-17(15)25-21(22)28/h2-3,6-9,11,14,16H,4-5,10,12H2,1H3,(H,24,27)(H,25,28)/t14-,16+,22-/m0/s1	C22H22ClN3O3	411.881	6	2	70.67	5	4	0	-1.3527	4.76668	3.11	2.922	55.0221	114.4354	2.9193	358.966185856085
Cond-004831	NPD4884	NPD4884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.9144704614	CCCOC(=O)c1ccc(cc1)N1COc2ccc3c(C)c(C)c(=O)oc3c2C1	InChI=1S/C23H23NO5/c1-4-11-27-23(26)16-5-7-17(8-6-16)24-12-19-20(28-13-24)10-9-18-14(2)15(3)22(25)29-21(18)19/h5-10H,4,11-13H2,1-3H3	C23H23NO5	393.432	6	0	65.07	4	5	0	0.829500000000002	5.61736000000001	3.33	4.434	58.4517	115.2755	2.9212	366.358035696308
Cond-004832	NPD4885	NPD4885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0300509127	COc1cc2c([nH]cc2CCNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1	InChI=1S/C26H28N2O5/c1-15-19-6-9-23(32-4)16(2)25(19)33-26(30)20(15)7-10-24(29)27-12-11-17-14-28-22-8-5-18(31-3)13-21(17)22/h5-6,8-9,13-14,28H,7,10-12H2,1-4H3,(H,27,29)	C26H28N2O5	448.511	7	2	89.65	4	9	0	0.475100000000002	5.07548000000001	3.55	3.198	69.126	133.7037	3.4007	415.706291081275
Cond-004833	NPD4887	NPD4887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.337312265	CCC(C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1	InChI=1S/C22H28N4O3/c1-5-12(2)19(11-27)26-21(28)14(4)24-22(29)18-10-16-15-8-6-7-9-17(15)25-20(16)13(3)23-18/h6-10,12,14,19,25,27H,5,11H2,1-4H3,(H,24,29)(H,26,28)/t12?,14-,19+/m0/s1	C22H28N4O3	396.483	7	4	107.11	3	9	0	-1.9587	2.73720000000001	3.11	3.056	61.1573	118.4412	3.1139	368.564795695419
Cond-004834	NPD4888	NPD4888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.6285998014	OCCc1ccc(NC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C28H21N3O4/c32-14-12-17-5-7-18(8-6-17)30-25(33)16-35-19-9-10-24-23(15-19)21-11-13-29-26-20-3-1-2-4-22(20)28(34)31(24)27(21)26/h1-11,13,15,32H,12,14,16H2,(H,30,33)	C28H21N3O4	463.484	7	2	93.45	6	7	0	-1.8186	6.60425000000001	3.77	4.774	32.7927	142.273	3.3344	395.446041635813
Cond-004835	NPD4889	NPD4889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.7448071217	Clc1ccc(cc1)c1coc2cc(OCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc2c1=O	InChI=1S/C28H25ClN2O4/c29-21-6-4-19(5-7-21)24-17-35-26-13-22(8-9-23(26)28(24)33)34-11-10-30-14-18-12-20(16-30)25-2-1-3-27(32)31(25)15-18/h1-9,13,17-18,20H,10-12,14-16H2/t18-,20+/m1/s1	C28H25ClN2O4	488.962	6	0	59.08	6	5	0	-0.807800000000002	4.70785000000001	3.77	3.831	86.8013	136.778	3.486	440.26972530048
Cond-004836	NPD489	NPD489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7741104646	[C@@H]12C[C@H]3C(=CC)C[N+]1(C)CCC12C(=C3/C=N/Nc2ccccc2)Nc2c1cccc2	InChI=1S/C26H29N4/c1-3-18-17-30(2)14-13-26-22-11-7-8-12-23(22)28-25(26)21(20(18)15-24(26)30)16-27-29-19-9-5-4-6-10-19/h3-12,16,20,24,28-29H,13-15,17H2,1-2H3/q+1/b18-3?,27-16+/t20-,24-,26?,30?/m0/s1	C26H29N4+	397.535	4	2	36.42	6	3	1	-1.6962	5.85085000000001	3.88	5.582	71.231	124.2738	3.1541	383.890448644403
Cond-004837	NPD4890	NPD4890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1230370334	C[C@H](NC(=O)c1cc2c([nH]c3ccccc23)c(C)n1)C(=O)NCCc1ccc(F)cc1	InChI=1S/C24H23FN4O2/c1-14-22-19(18-5-3-4-6-20(18)29-22)13-21(27-14)24(31)28-15(2)23(30)26-12-11-16-7-9-17(25)10-8-16/h3-10,13,15,29H,11-12H2,1-2H3,(H,26,30)(H,28,31)/t15-/m0/s1	C24H23FN4O2	418.463	6	3	86.88	4	8	0	-0.6094	3.71200000000001	3.33	4.673	43.1735	123.0834	3.1171	369.268262293697
Cond-004838	NPD4891	NPD4891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2231195874	CN1C(=O)C2(N(CCc3c2[nH]c2c3cc(C)cc2)C(=O)C)c2ccccc12	InChI=1S/C22H21N3O2/c1-13-8-9-18-16(12-13)15-10-11-25(14(2)26)22(20(15)23-18)17-6-4-5-7-19(17)24(3)21(22)27/h4-9,12,23H,10-11H2,1-3H3	C22H21N3O2	359.421	5	1	56.41	5	1	0	-0.9535	2.9857	3.33	3.452	46.2732	107.357	2.6952	321.428432684291
Cond-004839	NPD4893	NPD4893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1839935653	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NC3CC3)c(C)c1c2)c1ccccc1	InChI=1S/C25H23NO4/c1-14-18(10-11-23(27)26-17-8-9-17)25(28)30-21-13-22-20(12-19(14)21)24(15(2)29-22)16-6-4-3-5-7-16/h3-7,12-13,17H,8-11H2,1-2H3,(H,26,27)	C25H23NO4	401.454	5	1	68.54	5	6	1	-0.2511	5.46029000000001	3.66	5.596	53.101	121.4727	2.9927	366.26686084588
Cond-004840	NPD4894	NPD4894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8712871287	CC(C)C[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C21H29N5O4/c1-12(2)11-15(18(27)24-17(13(3)4)19(28)29)23-21(30)26-10-9-25-16-8-6-5-7-14(16)22-20(25)26/h5-8,12-13,15,17H,9-11H2,1-4H3,(H,23,30)(H,24,27)(H,28,29)/t15-,17-/m0/s1	C21H29N5O4	415.486	9	3	116.56	3	10	0	-0.378699999999999	3.77736	2.78	2.941	76.5588	119.0072	3.1745	384.59225667908
Cond-004841	NPD4895	NPD4895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.176331802	CC(=C)COc1ccc2c(C)c(CC(=O)Nc3c(cccc3)C(=O)N)c(=O)oc2c1C	InChI=1S/C24H24N2O5/c1-13(2)12-30-20-10-9-16-14(3)18(24(29)31-22(16)15(20)4)11-21(27)26-19-8-6-5-7-17(19)23(25)28/h5-10H,1,11-12H2,2-4H3,(H2,25,28)(H,26,27)	C24H24N2O5	420.458	7	3	107.72	3	8	0	1.0461	5.12347	3.33	3.344	65.367	123.3686	3.1845	401.734321829541
Cond-004842	NPD4896	NPD4896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7354876876	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(C)C(=O)NCc3ncccc3)ccc12	InChI=1S/C26H24N2O5/c1-16-23(32-17(2)26(30)28-15-19-6-4-5-13-27-19)12-11-21-22(14-24(29)33-25(16)21)18-7-9-20(31-3)10-8-18/h4-14,17H,15H2,1-3H3,(H,28,30)	C26H24N2O5	444.479	7	1	86.75	4	8	0	-0.2185	4.78049	3.55	4.856	51.1273	129.0837	3.3147	410.433373679675
Cond-004843	NPD4897	NPD4897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0501676394	CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nc4c([nH]3)cccc4)cc2O1	InChI=1S/C20H19N3O5/c1-20(2)9-15(25)18-14(24)7-11(8-16(18)28-20)27-10-17(26)23-19-21-12-5-3-4-6-13(12)22-19/h3-8,24H,9-10H2,1-2H3,(H2,21,22,23,26)	C20H19N3O5	381.382	8	3	113.54	4	5	0	-1.6604	4.65845	2.78	2.269	44.7695	111.4192	2.6981	325.563602235041
Cond-004844	NPD4898	NPD4898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6215564046	CC(NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)c1ccccc1	InChI=1S/C21H21NO4/c1-12-9-17(23)20-13(2)16(21(25)26-18(20)10-12)11-19(24)22-14(3)15-7-5-4-6-8-15/h4-10,14,23H,11H2,1-3H3,(H,22,24)	C21H21NO4	351.396	5	2	75.63	3	5	0	0.2101	3.59109	3.22	4.457	49.0262	101.0565	2.6893	335.332298444813
Cond-004845	NPD4899	NPD4899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.4837014693	Cc1cc(C)c2NC(=O)[C@]3(N4CCC[C@@H]4[C@@H](C(=O)c4ccccc4)[C@@]43C(=O)Nc3c4cccc3)c2c1	InChI=1S/C30H27N3O3/c1-17-15-18(2)25-21(16-17)30(28(36)32-25)29(20-11-6-7-12-22(20)31-27(29)35)24(23-13-8-14-33(23)30)26(34)19-9-4-3-5-10-19/h3-7,9-12,15-16,23-24H,8,13-14H2,1-2H3,(H,31,35)(H,32,36)/t23-,24+,29-,30-/m1/s1	C30H27N3O3	477.554	6	2	78.51	7	2	1	-1.6504	4.90492000000001	4.1	5.236	56.6096	137.9869	3.5349	435.964242887786
Cond-004846	NPD490	NPD490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4013690106	O=C(CCNC(=O)OCc1ccccc1)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C26H21NO7/c28-24(13-14-27-26(30)32-16-18-7-3-1-4-8-18)34-20-11-12-21-22(15-20)31-17-23(25(21)29)33-19-9-5-2-6-10-19/h1-12,15,17H,13-14,16H2,(H,27,30)	C26H21NO7	459.447	8	1	100.16	4	11	2	-1.1891	4.59026	3.44	7.076	46.5303	127.3852	3.2893	414.38060817183
Cond-004847	NPD4900	NPD4900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.413825155	COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2cc3c([nH]c4ccccc34)c(C)n2)cc1	InChI=1S/C25H26N4O3/c1-15-23-20(19-6-4-5-7-21(19)29-23)14-22(27-15)25(31)28-16(2)24(30)26-13-12-17-8-10-18(32-3)11-9-17/h4-11,14,16,29H,12-13H2,1-3H3,(H,26,30)(H,28,31)/t16-/m0/s1	C25H26N4O3	430.499	7	3	96.11	4	9	0	-1.1409	3.58150000000001	3.44	4.27	49.6168	129.6774	3.299	389.286914769819
Cond-004848	NPD4901	NPD4901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4145039116	O=C(NCCN1CCOCC1)C1C2OC3(CN(CCc4c[nH]c5c4cccc5)C(=O)C13)C=C2	InChI=1S/C25H30N4O4/c30-23(26-8-10-28-11-13-32-14-12-28)21-20-5-7-25(33-20)16-29(24(31)22(21)25)9-6-17-15-27-19-4-2-1-3-18(17)19/h1-5,7,15,20-22,27H,6,8-14,16H2,(H,26,30)	C25H30N4O4	450.53	8	2	86.9	6	8	0	-1.7935	1.02417	3.33	0.165	89.7313	127.0217	3.3125	405.71005887198
Cond-004849	NPD4902	NPD4902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.363996043	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NCC(O)c4ccccc4)cc31)c2=O	InChI=1S/C31H27N3O6/c1-17(30(36)33-16-24(35)18-7-5-4-6-8-18)40-19-9-11-23-22(15-19)20-13-14-32-27-21-10-12-25(38-2)29(39-3)26(21)31(37)34(23)28(20)27/h4-15,17,24,35H,16H2,1-3H3,(H,33,36)	C31H27N3O6	537.563	9	2	111.91	6	9	0	-2.1322	4.16839000000001	3.88	4.556	51.0299	153.1365	3.87450000000001	464.914448914536
Cond-004850	NPD4903	NPD4903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6124071194	COc1cc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)ccc1	InChI=1S/C23H21NO5/c1-12-8-18-21(22-20(12)13(2)11-28-22)14(3)17(23(26)29-18)10-19(25)24-15-6-5-7-16(9-15)27-4/h5-9,11H,10H2,1-4H3,(H,24,25)	C23H21NO5	391.417	6	1	77.77	4	5	0	1.1056	5.3708	3.33	3.691	51.602	112.4487	2.8782	352.821576995507
Cond-004851	NPD4904	NPD4904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9589227085	COC(=O)COc1ccc2c(oc(=O)c(c2C)c2c(OC)cc(OC)cc2)c1	InChI=1S/C21H20O7/c1-12-15-7-6-14(27-11-19(22)26-4)10-18(15)28-21(23)20(12)16-8-5-13(24-2)9-17(16)25-3/h5-10H,11H2,1-4H3	C21H20O7	384.379	7	0	80.29	3	7	0	0.1792	3.54837	3	3.222	52.4733	105.072	2.7656	350.70621833833
Cond-004852	NPD4905	NPD4905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8439378041	Brc1ccc(cc1)C(=O)CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O	InChI=1S/C20H17BrN2O3/c21-14-9-7-13(8-10-14)18(24)12-23-16-5-2-1-4-15(16)19(25)22-11-3-6-17(22)20(23)26/h1-2,4-5,7-10,17H,3,6,11-12H2/t17-/m0/s1	C20H17BrN2O3	413.265	5	0	57.69	4	3	0	-1.5679	3.25159	3	3.829	47.2483	104.3475	2.6559	327.170007603318
Cond-004853	NPD4906	NPD4906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0695757088	CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c3occ(c3c(C)cc2oc1=O)c1ccccc1)C(=O)O	InChI=1S/C27H27NO6/c1-5-14(2)24(26(30)31)28-21(29)12-18-16(4)23-20(34-27(18)32)11-15(3)22-19(13-33-25(22)23)17-9-7-6-8-10-17/h6-11,13-14,24H,5,12H2,1-4H3,(H,28,29)(H,30,31)/t14-,24+/m1/s1	C27H27NO6	461.506	7	2	105.84	4	8	1	0.0151999999999985	5.42629000000001	3.66	5.842	66.6718	132.2835	3.4575	428.159283498736
Cond-004854	NPD4907	NPD4907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.6776296585	CC(C)CCN1C(=O)C2(NCCc3c2[nH]c2c3cc(C)cc2)c2ccccc12	InChI=1S/C24H27N3O/c1-15(2)11-13-27-21-7-5-4-6-19(21)24(23(27)28)22-17(10-12-25-24)18-14-16(3)8-9-20(18)26-22/h4-9,14-15,25-26H,10-13H2,1-3H3	C24H27N3O	373.491	4	2	48.13	5	3	1	-0.554800000000001	4.14310000000001	3.66	5.711	52.9022	116.3707	2.9613	349.866633936263
Cond-004855	NPD4908	NPD4908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9939153111	CCCCCNC(=O)C1C2OC3(CN(CCc4c[nH]c5c4cccc5)C(=O)C13)C=C2	InChI=1S/C24H29N3O3/c1-2-3-6-12-25-22(28)20-19-9-11-24(30-19)15-27(23(29)21(20)24)13-10-16-14-26-18-8-5-4-7-17(16)18/h4-5,7-9,11,14,19-21,26H,2-3,6,10,12-13,15H2,1H3,(H,25,28)	C24H29N3O3	407.505	6	2	74.43	5	9	0	-2.5233	2.88217	3.44	2.631	76.2867	119.2877	3.1217	380.983546038186
Cond-004856	NPD4909	NPD4909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.207597195	COc1cccc(/C=C/2\Oc3c(ccc(OCC(=O)NCCC(=O)O)c3)C2=O)c1OC	InChI=1S/C22H21NO8/c1-28-16-5-3-4-13(22(16)29-2)10-18-21(27)15-7-6-14(11-17(15)31-18)30-12-19(24)23-9-8-20(25)26/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)(H,25,26)/b18-10-	C22H21NO8	427.404	9	2	120.39	3	10	0	-1.6846	3.34246	2.89	2.169	61.3463	115.984	3.022	385.152731172124
Cond-004857	NPD491	NPD491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0334815651	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCc1ccccc1	InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22?,23?,24?,25?,27-,28-/m0/s1	C28H36O3	420.584	3	0	43.37	5	5	1	0.7279	6.22298000000001	4.21	8.104	95.0798	124.326	3.4289	430.713662617953
Cond-004858	NPD4911	NPD4911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.1767626614	COc1c(OC)cc(CCNC(=O)c2cc3c4n(c5ccccc35)c(=O)c3c(cccc3)c4n2)cc1	InChI=1S/C29H23N3O4/c1-35-24-12-11-17(15-25(24)36-2)13-14-30-28(33)22-16-21-18-7-5-6-10-23(18)32-27(21)26(31-22)19-8-3-4-9-20(19)29(32)34/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)	C29H23N3O4	477.511	7	1	82.45	6	7	1	-1.106	5.67527	3.88	5.747	38.6786	143.9742	3.4753	412.74202626168
Cond-004859	NPD4912	NPD4912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9306930693	CC(C)C[C@H](NC(=O)CCCn1c(O)nc2ccccc2c1=O)C(=O)O	InChI=1S/C18H23N3O5/c1-11(2)10-14(17(24)25)19-15(22)8-5-9-21-16(23)12-6-3-4-7-13(12)20-18(21)26/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,19,22)(H,20,26)(H,24,25)/t14-/m0/s1	C18H23N3O5	361.392	8	3	119.3	2	9	0	-0.642799999999999	2.21518	2.56	2.84	64.7952	99.5158000000001	2.7195	342.757467786507
Cond-004860	NPD4913	NPD4913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5762035051	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)ccc12	InChI=1S/C27H23NO8/c1-34-19-8-4-17(5-9-19)22-14-26(31)36-24-13-20(10-11-21(22)24)35-15-25(30)28-23(27(32)33)12-16-2-6-18(29)7-3-16/h2-11,13-14,23,29H,12,15H2,1H3,(H,28,30)(H,32,33)/t23-/m0/s1	C27H23NO8	489.473	9	3	131.39	4	10	0	-1.7629	3.49437	3.44	4.109	54.2256	133.2643	3.4889	440.466819498258
Cond-004861	NPD4914	NPD4914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9772093587	COc1c2OCOc2cc2c1C(CN/C=C/1\C(=O)N(CCc3ccccc3)C(=O)N=C1O)N(C)CC2	InChI=1S/C26H28N4O6/c1-29-10-9-17-12-20-22(36-15-35-20)23(34-2)21(17)19(29)14-27-13-18-24(31)28-26(33)30(25(18)32)11-8-16-6-4-3-5-7-16/h3-7,12-13,19,27H,8-11,14-15H2,1-2H3,(H,28,31,33)/b18-13-	C26H28N4O6	492.524	10	2	112.93	5	7	0	-1.3803	2.72486	3.22	4.33	82.1214	138.6055	3.5504	445.033579497369
Cond-004862	NPD4915	NPD4915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.69638644	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)Nc3cccnc3)cc2O1	InChI=1S/C24H24N2O5/c1-24(2)9-8-17-18(31-24)11-19(29-13-20(27)26-14-5-4-10-25-12-14)21-15-6-3-7-16(15)23(28)30-22(17)21/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,26,27)	C24H24N2O5	420.458	7	1	86.75	5	5	0	-0.4104	5.71205	3.33	3.049	65.1394	120.7837	3.0533	382.294321829541
Cond-004863	NPD4916	NPD4916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5753066559	CN(C)CCCNC(=O)CCc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O	InChI=1S/C26H28N2O4/c1-17-19(10-11-25(29)27-12-7-13-28(2)3)26(30)32-24-15-23-21(14-20(17)24)22(16-31-23)18-8-5-4-6-9-18/h4-6,8-9,14-16H,7,10-13H2,1-3H3,(H,27,29)	C26H28N2O4	432.512	6	1	71.78	4	9	0	-0.111200000000001	5.24077000000001	3.66	4.767	64.7748	130.4197	3.342	406.916064380714
Cond-004864	NPD4917	NPD4917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8338406532	CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1I	InChI=1S/C13H11IO4/c1-6-7(2)13(16)18-12-9(6)4-5-10(11(12)14)17-8(3)15/h4-5H,1-3H3	C13H11IO4	358.129	4	0	52.6	2	2	0	2.6084	3.48087	2.34	3.149	50.8366	78.613	1.9581	242.410297703177
Cond-004865	NPD4918	NPD4918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1274884376	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)NCC3CCCO3)c(C)c1c2)c1ccccc1	InChI=1S/C27H27NO5/c1-16-20(10-11-25(29)28-15-19-9-6-12-31-19)27(30)33-23-14-24-22(13-21(16)23)26(17(2)32-24)18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12,15H2,1-2H3,(H,28,29)	C27H27NO5	445.507	6	1	77.77	5	7	1	-0.382000000000001	5.47689000000001	3.77	5.406	64.1445	132.2917	3.3332	409.649056798175
Cond-004866	NPD4919	NPD4919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1662840356	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCc3ccncc3)c(C)c1c2)c1ccccc1	InChI=1S/C27H22N2O4/c1-16-20-12-22-24(32-17(2)26(22)19-6-4-3-5-7-19)14-23(20)33-27(31)21(16)13-25(30)29-15-18-8-10-28-11-9-18/h3-12,14H,13,15H2,1-2H3,(H,29,30)	C27H22N2O4	438.475	6	1	81.43	5	6	1	0.3245	5.16349	3.77	5.763	43.7267	131.0187	3.2453	393.04621420338
Cond-004867	NPD492	NPD492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5316487366	COc1ccc(/C=N/CCC(C2CCOC(C)(C)C2)c2ccccc2)cc1OC	InChI=1S/C25H33NO3/c1-25(2)17-21(13-15-29-25)22(20-8-6-5-7-9-20)12-14-26-18-19-10-11-23(27-3)24(16-19)28-4/h5-11,16,18,21-22H,12-15,17H2,1-4H3/b26-18+	C25H33NO3	395.534	4	0	40.05	3	8	1	-0.7528	5.39949000000001	3.77	7.323	63.8716	119.377	3.2802	400.998927649319
Cond-004868	NPD4920	NPD4920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1213239879	CCCOc1c(OC)cc(cc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2ccc(OC)c1OC	InChI=1S/C30H26N2O5/c1-5-14-37-22-12-10-17(15-24(22)35-3)20-16-31-27-19-11-13-23(34-2)29(36-4)26(19)30(33)32-21-9-7-6-8-18(21)25(20)28(27)32/h6-13,15-16H,5,14H2,1-4H3	C30H26N2O5	494.538	7	0	71.81	6	7	1	-1.1694	6.40519	3.99	5.134	44.5305	148.071	3.6181	430.467936080741
Cond-004869	NPD4921	NPD4921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2986464672	COc1ccc2c(C)c(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1C	InChI=1S/C24H27NO7/c1-13-16-7-9-18(28-3)14(2)22(16)32-24(27)17(13)8-10-21(26)25-15-11-19(29-4)23(31-6)20(12-15)30-5/h7,9,11-12H,8,10H2,1-6H3,(H,25,26)	C24H27NO7	441.474	8	1	92.32	3	9	0	0.524699999999997	5.56798	3.22	2.566	71.2936	125.6367	3.2881	413.590932424097
Cond-004870	NPD4924	NPD4924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.000987947	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C20H18N2O4S/c23-17(21-15(20(25)26)10-12-6-2-1-3-7-12)16-11-27-19-14-9-5-4-8-13(14)18(24)22(16)19/h1-9,15-16,19H,10-11H2,(H,21,23)(H,25,26)/t15-,16-,19?/m0/s1	C20H18N2O4S	382.433	6	2	112.01	4	6	0	-1.0268	1.96129	2.89	4.754	49.2965	103.776	2.7031	335.185639383913
Cond-004871	NPD4925	NPD4925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8992710728	CC(C)C(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)N1CCCC1C(=O)O	InChI=1S/C22H30N4O5/c1-12(2)17(20(28)25-11-7-10-16(25)21(29)30)24-22(31)26-15-9-6-5-8-14(15)23-19(27)18(26)13(3)4/h5-6,8-9,12-13,16-18H,7,10-11H2,1-4H3,(H,23,27)(H,24,31)(H,29,30)	C22H30N4O5	430.497	9	3	124.76	3	8	0	-1.4738	1.91156	2.89	2.786	82.1192	115.6433	3.2743	399.681707797341
Cond-004872	NPD4926	NPD4926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0009930487	CC(C)NC(=O)C(C)Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C24H21N3O3/c1-13(2)26-23(28)14(3)30-15-8-9-20-19(12-15)17-10-11-25-21-16-6-4-5-7-18(16)24(29)27(20)22(17)21/h4-14H,1-3H3,(H,26,28)	C24H21N3O3	399.442	6	1	73.22	5	5	0	-1.4773	4.16709	3.44	4.513	40.9189	119.6777	2.9497	348.637711234985
Cond-004873	NPD4927	NPD4927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9145660002	Cc1cc(O)c2c(oc(=O)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2C)c1	InChI=1S/C24H24N2O5/c1-13-6-19(27)23-14(2)17(24(30)31-20(23)7-13)9-22(29)25-10-15-8-16(12-25)18-4-3-5-21(28)26(18)11-15/h3-7,15-16,27H,8-12H2,1-2H3/t15-,16+/m1/s1	C24H24N2O5	420.458	7	1	87.15	5	3	0	-0.558500000000002	2.66777	3.33	1.156	91.6685	115.4078	3.0533	393.194321829541
Cond-004874	NPD4928	NPD4928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.722960387	COc1cc2c([nH]cc2CCNC(=O)COc2c3c(C)c(C)c(=O)oc3c3CCC(C)(C)Oc3c2)cc1	InChI=1S/C29H32N2O6/c1-16-17(2)28(33)36-27-20-8-10-29(3,4)37-23(20)13-24(26(16)27)35-15-25(32)30-11-9-18-14-31-22-7-6-19(34-5)12-21(18)22/h6-7,12-14,31H,8-11,15H2,1-5H3,(H,30,32)	C29H32N2O6	504.574	8	2	98.88	5	8	0	0.831799999999999	5.70625000000001	3.77	3.726	83.281	148.2087	3.7735	464.028012958636
Cond-004875	NPD4929	NPD4929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.6256445514	Brc1cccc(c1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C23H16BrNO3/c24-16-7-4-8-17(11-16)25-13-20-21(27-14-25)10-9-18-19(12-22(26)28-23(18)20)15-5-2-1-3-6-15/h1-12H,13-14H2	C23H16BrNO3	434.282	4	0	38.77	5	2	1	0.8394	6.45136	3.44	7.516	37.3774	117.655	2.7842	339.531825170352
Cond-004876	NPD493	NPD493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5102619881	COc1c(OC)cc(cc1)C(=O)/C=C/C1=C(Oc2c(cccc2)C1c1c(C)cccc1)c1cc(OC)c(OC)cc1	InChI=1S/C35H32O6/c1-22-10-6-7-11-25(22)34-26-12-8-9-13-29(26)41-35(24-15-19-31(38-3)33(21-24)40-5)27(34)16-17-28(36)23-14-18-30(37-2)32(20-23)39-4/h6-21,34H,1-5H3/b17-16+	C35H32O6	548.625	6	0	63.22	5	9	1	0.269399999999999	7.37439	4.65	9.183	64.0476	161.567	4.20430000000001	521.728106793503
Cond-004877	NPD4930	NPD4930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.332980269	CCc1ccc(cc1)N1C(=O)N=C(O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc(OC)c(OC)c2)C1=O	InChI=1S/C33H36N4O6/c1-4-21-8-11-25(12-9-21)37-31(40)33(30(39)34-32(37)41,16-22-10-13-27(42-2)28(15-22)43-3)20-35-17-23-14-24(19-35)26-6-5-7-29(38)36(26)18-23/h5-13,15,23-24H,4,14,16-20H2,1-3H3,(H,34,39,41)/t23-,24+,33?/m1/s1	C33H36N4O6	584.662	10	1	111.98	6	8	0	-1.4209	4.02755000000001	3.99	3.884	112.4132	164.9748	4.3421	548.476095776036
Cond-004878	NPD4931	NPD4931	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.489539749	COc1cc(/C=C/C(=O)NCC(CC(=O)O)c2ccccc2)ccc1O	InChI=1S/C20H21NO5/c1-26-18-11-14(7-9-17(18)22)8-10-19(23)21-13-16(12-20(24)25)15-5-3-2-4-6-15/h2-11,16,22H,12-13H2,1H3,(H,21,23)(H,24,25)/b10-8+	C20H21NO5	355.384	6	3	95.86	2	9	0	-1.2853	2.83988	3	4.123	46.8489	100.3193	2.7157	339.182999220307
Cond-004879	NPD4932	NPD4932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	107.16556977	CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccccc1)C(=O)NCc1ncccc1	InChI=1S/C32H34N4O6/c1-4-20(2)30(32(40)35-17-23-12-8-9-15-33-23)36-27(37)18-34-28(38)19-41-26-14-13-24-25(22-10-6-5-7-11-22)16-29(39)42-31(24)21(26)3/h5-16,20,30H,4,17-19H2,1-3H3,(H,34,38)(H,35,40)(H,36,37)/t20-,30-/m0/s1	C32H34N4O6	570.636	10	3	135.72	4	15	2	-1.9945	4.03049000000001	3.88	5.923	79.2654	162.3321	4.3324	539.720111150169
Cond-004880	NPD4933	NPD4933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5367645246	COc1cc2c([nH]cc2CCNC(=O)Cc2c(C)c3c(OC(=O)C)cc(OC(=O)C)cc3oc2=O)cc1	InChI=1S/C27H26N2O8/c1-14-20(12-25(32)28-8-7-17-13-29-22-6-5-18(34-4)9-21(17)22)27(33)37-24-11-19(35-15(2)30)10-23(26(14)24)36-16(3)31/h5-6,9-11,13,29H,7-8,12H2,1-4H3,(H,28,32)	C27H26N2O8	506.504	10	2	133.02	4	11	1	-0.3399	3.94386000000001	3.33	2.915	74.8749	139.1857	3.6317	454.100038407225
Cond-004881	NPD4934	NPD4934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5421274884	COc1ccc2c(C)c(CC(=O)Nc3ccc(cc3)C(C)C)c(=O)oc2c1OC	InChI=1S/C23H25NO5/c1-13(2)15-6-8-16(9-7-15)24-20(25)12-18-14(3)17-10-11-19(27-4)22(28-5)21(17)29-23(18)26/h6-11,13H,12H2,1-5H3,(H,24,25)	C23H25NO5	395.448	6	1	73.86	3	7	0	0.496800000000002	5.70056	3.33	4.784	60.5623	116.0377	3.0298	378.714494397108
Cond-004882	NPD4935	NPD4935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.979767217	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCc1ccccc1	InChI=1S/C28H21N3O4/c1-34-22-13-12-18-23(26(22)35-2)28(33)31-21-11-7-6-10-17(21)19-14-20(30-24(18)25(19)31)27(32)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,29,32)	C28H21N3O4	463.484	7	1	82.45	6	6	1	-1.3616	5.29327	3.77	5.6	34.2268	138.3512	3.3344	395.446041635813
Cond-004883	NPD4936	NPD4936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7850333769	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)NCc3cnccc3)c(C)c1c2	InChI=1S/C22H20N2O4/c1-12-14(3)27-19-9-20-17(7-16(12)19)13(2)18(22(26)28-20)8-21(25)24-11-15-5-4-6-23-10-15/h4-7,9-10H,8,11H2,1-3H3,(H,24,25)	C22H20N2O4	376.405	6	1	81.43	4	5	0	0.966500000000001	3.47611	3.22	2.856	49.2288	108.3387	2.7784	337.732125877246
Cond-004884	NPD4938	NPD4938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9289675975	[C@H]12[C@H](Cc3c[nH]c4c3cc(O)cc4)N[C@@]3(C(=O)Nc4c3cccc4)[C@H]1C(=O)N(C2=O)c1ccccc1	InChI=1S/C28H22N4O4/c33-17-10-11-20-18(13-17)15(14-29-20)12-22-23-24(26(35)32(25(23)34)16-6-2-1-3-7-16)28(31-22)19-8-4-5-9-21(19)30-27(28)36/h1-11,13-14,22-24,29,31,33H,12H2,(H,30,36)/t22-,23-,24+,28+/m0/s1	C28H22N4O4	478.499	8	4	114.53	7	3	0	-3.2565	4.03917000000001	3.66	3.422	46.7986	138.1272	3.36860000000001	407.62280184398
Cond-004885	NPD4939	NPD4939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.6239739703	Cc1c2oc(=O)c3c(CCCC3)c2ccc1OCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O	InChI=1S/C26H27NO6S/c1-16-22(12-11-19-18-9-5-6-10-20(18)26(31)33-24(16)19)32-13-23(28)27-21(25(29)30)15-34-14-17-7-3-2-4-8-17/h2-4,7-8,11-12,21H,5-6,9-10,13-15H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	C26H27NO6S	481.561	7	2	127.23	4	10	1	-0.597499999999997	4.61079000000001	3.44	5.53	76.6088	134.5835	3.5231	442.908781631269
Cond-004886	NPD494	NPD494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7464765535	CCCCC(=O)Cc1cc2c(oc1=O)c(Br)cc(Br)c2	InChI=1S/C15H14Br2O3/c1-2-3-4-12(18)7-10-5-9-6-11(16)8-13(17)14(9)20-15(10)19/h5-6,8H,2-4,7H2,1H3	C15H14Br2O3	402.078	3	0	43.37	2	5	0	1.2398	5.21537	2.56	4.401	58.7547	88.845	2.273	281.502476539217
Cond-004887	NPD4940	NPD4940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2060101825	COc1cc(NC(=O)COc2cc3c(C(=O)CC(C)(C)O3)c(O)c2)c(OC)cc1	InChI=1S/C21H23NO7/c1-21(2)10-16(24)20-15(23)8-13(9-18(20)29-21)28-11-19(25)22-14-7-12(26-3)5-6-17(14)27-4/h5-9,23H,10-11H2,1-4H3,(H,22,25)	C21H23NO7	401.41	8	2	103.32	3	7	0	-1.3436	4.87606	2.89	1.56	56.1011	113.3982	2.9084	364.339437247296
Cond-004888	NPD4941	NPD4941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4756703078	Fc1ccc(CNC(=O)COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C27H18FN3O3/c28-17-7-5-16(6-8-17)14-30-24(32)15-34-18-9-10-23-22(13-18)20-11-12-29-25-19-3-1-2-4-21(19)27(33)31(23)26(20)25/h1-13H,14-15H2,(H,30,32)	C27H18FN3O3	451.449	6	1	73.22	6	6	1	-1.1342	5.94666	3.66	5.338	26.6488	133.6592	3.15250000000001	375.427389159692
Cond-004889	NPD4942	NPD4942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9101541733	COc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC(C)C	InChI=1S/C23H23N3O2/c1-14(2)13-24-23(27)20-12-18-17-6-4-5-7-19(17)25-22(18)21(26-20)15-8-10-16(28-3)11-9-15/h4-12,14,25H,13H2,1-3H3,(H,24,27)	C23H23N3O2	373.448	5	2	67.01	4	6	0	-0.5225	5.12277000000001	3.44	4.869	37.0373	119.1787	2.9017	337.544417310158
Cond-004890	NPD4943	NPD4943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.186265988	COC(=O)Cc1c(C)c2ccc3OCN(CCc4ccc(OC)cc4)Cc3c2oc1=O	InChI=1S/C24H25NO6/c1-15-18-8-9-21-20(23(18)31-24(27)19(15)12-22(26)29-3)13-25(14-30-21)11-10-16-4-6-17(28-2)7-5-16/h4-9H,10-14H2,1-3H3	C24H25NO6	423.458	7	0	74.3	4	7	0	0.7651	4.11337000000001	3.33	3.474	66.1528	119.72	3.1208	392.444247022735
Cond-004891	NPD4944	NPD4944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9741807349	Fc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C30H23FN4O3/c31-19-5-7-20(8-6-19)33-13-15-34(16-14-33)27(36)18-38-21-9-10-26-25(17-21)23-11-12-32-28-22-3-1-2-4-24(22)30(37)35(26)29(23)28/h1-12,17H,13-16,18H2	C30H23FN4O3	506.527	7	0	67.67	7	5	1	-1.0862	5.26898000000001	3.88	5.18	43.6834	147.421	3.5664	425.955644544659
Cond-004892	NPD4945	NPD4945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9775451299	CC(C)C(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C28H33N5O5/c1-15(2)23(25(34)31-21(27(36)37)13-17-14-29-19-10-6-5-9-18(17)19)32-28(38)33-22-12-8-7-11-20(22)30-26(35)24(33)16(3)4/h5-12,14-16,21,23-24,29H,13H2,1-4H3,(H,30,35)(H,31,34)(H,32,38)(H,36,37)	C28H33N5O5	519.592	10	5	147.12	4	11	1	-1.2674	4.72876000000001	3.44	4.425	79.7492	151.953	3.93890000000001	480.652082256708
Cond-004893	NPD4946	NPD4946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4817717962	COc1cccc(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c1	InChI=1S/C24H19NO5/c1-28-18-9-5-8-17(12-18)25-23(26)15-29-19-10-11-20-21(16-6-3-2-4-7-16)14-24(27)30-22(20)13-19/h2-14H,15H2,1H3,(H,25,26)	C24H19NO5	401.411	6	1	73.86	4	7	1	-0.9681	5.21546	3.44	6.341	36.2535	117.2017	2.9331	364.844644219774
Cond-004894	NPD4947	NPD4947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3168239759	COc1ccc(cc1OC)c1c(C)oc2cc(OC(=O)C(C)C)ccc2c1=O	InChI=1S/C22H22O6/c1-12(2)22(24)28-15-7-8-16-18(11-15)27-13(3)20(21(16)23)14-6-9-17(25-4)19(10-14)26-5/h6-12H,1-5H3	C22H22O6	382.406	6	0	71.06	3	6	0	0.386599999999999	5.32426	3.22	4.072	57.1337	110.3165	2.8478	359.211976263635
Cond-004895	NPD4948	NPD4948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7298907646	COC(=O)COc1ccc2n3c4c(ccnc4c4c(c3=O)c(OC)c(OC)cc4)c2c1	InChI=1S/C23H18N2O6/c1-28-17-7-5-14-19(22(17)30-3)23(27)25-16-6-4-12(31-11-18(26)29-2)10-15(16)13-8-9-24-20(14)21(13)25/h4-10H,11H2,1-3H3	C23H18N2O6	418.399	8	0	88.88	5	6	0	-1.0831	5.02086	3.11	2.325	40.2426	121.2885	2.8851	346.715646502635
Cond-004896	NPD495	NPD495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	50.7920742911	COC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C32H43N3O9/c1-30-10-8-20(36)12-18(30)4-5-21-22-9-11-32(42,31(22,2)14-24(37)28(21)30)25(38)16-44-27(40)7-6-26(39)35-23(29(41)43-3)13-19-15-33-17-34-19/h12,15,17,21-24,28,37,42H,4-11,13-14,16H2,1-3H3,(H,33,34)(H,35,39)/t21?,22?,23?,24?,28?,30-,31-,32-/m0/s1	C32H43N3O9	613.699	12	4	184.98	5	13	2	-1.6283	1.41448	3.66	-0.0570000000000001	139.6967	157.8933	4.5581	580.356324547685
Cond-004897	NPD4950	NPD4950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.288196168	[C@H]12Cc3c([nH]c4ccccc34)C(N1C(=O)CN(CCCOCCCC)C2=O)c1cc(ccc1)N(=O)=O	InChI=1S/C27H30N4O5/c1-2-3-13-36-14-7-12-29-17-24(32)30-23(27(29)33)16-21-20-10-4-5-11-22(20)28-25(21)26(30)18-8-6-9-19(15-18)31(34)35/h4-6,8-11,15,23,26,28H,2-3,7,12-14,16-17H2,1H3/t23-,26?/m1/s1	C27H30N4O5	490.551	9	1	108.78	5	9	0	-2.3088	3.62618000000001	3.44	4.599	68.6103	139.385	3.6326	442.639337422675
Cond-004898	NPD4951	NPD4951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.4746521358	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1)C(C)C)C(=O)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C25H29N3O4/c1-5-32-23(30)16-7-9-17(10-8-16)26-22(29)19-13-21(14(2)3)28-25(19)18-12-15(4)6-11-20(18)27-24(25)31/h6-12,14,19,21,28H,5,13H2,1-4H3,(H,26,29)(H,27,31)/t19-,21-,25+/m1/s1	C25H29N3O4	435.515	7	3	96.53	4	7	0	-0.437899999999999	3.59361	3.44	4.765	68.0094	124.0391	3.3439	414.153298663814
Cond-004899	NPD4952	NPD4952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.282324553	CC(C)C[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C22H25NO6/c1-10(2)6-15(21(25)26)23-17(24)8-14-13(5)19-16(29-22(14)27)7-11(3)18-12(4)9-28-20(18)19/h7,9-10,15H,6,8H2,1-5H3,(H,23,24)(H,25,26)/t15-/m0/s1	C22H25NO6	399.437	7	2	105.84	3	7	0	1.589	3.73891	3.11	3.146	73.5479	109.6035	2.9906	372.845195172602
Cond-004900	NPD4953	NPD4953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.272270259	COc1ccc(CCNC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)cc1	InChI=1S/C21H21NO6/c1-12-16(21(26)28-18-10-14(23)9-17(24)20(12)18)11-19(25)22-8-7-13-3-5-15(27-2)6-4-13/h3-6,9-10,23-24H,7-8,11H2,1-2H3,(H,22,25)	C21H21NO6	383.395	7	3	105.09	3	7	0	-0.6777	3.09987	3	1.992	53.2719	106.5673	2.8067	352.912751845935
Cond-004901	NPD4954	NPD4954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.5372393247	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)C(=O)NCC(O)c1ccccc1	InChI=1S/C29H23N3O4/c1-17(28(34)31-16-25(33)18-7-3-2-4-8-18)36-19-11-12-24-23(15-19)21-13-14-30-26-20-9-5-6-10-22(20)29(35)32(24)27(21)26/h2-15,17,25,33H,16H2,1H3,(H,31,34)	C29H23N3O4	477.511	7	2	93.45	6	7	1	-2.0286	4.15119000000001	3.88	5.866	36.3983	140.0325	3.47530000000001	412.74202626168
Cond-004902	NPD4955	NPD4955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3992055611	COc1cc(CNC(=O)C(C)Oc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)ccc1	InChI=1S/C29H23N3O4/c1-17(28(33)31-16-18-6-5-7-19(14-18)35-2)36-20-10-11-25-24(15-20)22-12-13-30-26-21-8-3-4-9-23(21)29(34)32(25)27(22)26/h3-15,17H,16H2,1-2H3,(H,31,33)	C29H23N3O4	477.511	7	1	82.45	6	7	1	-1.5697	4.62799	3.88	5.461	37.7516	140.4837	3.47530000000001	412.74202626168
Cond-004903	NPD4956	NPD4956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3418601763	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCCc3cscc3)c(C)c1c2)c1ccccc1	InChI=1S/C27H23NO4S/c1-16-20-12-22-24(31-17(2)26(22)19-6-4-3-5-7-19)14-23(20)32-27(30)21(16)13-25(29)28-10-8-18-9-11-33-15-18/h3-7,9,11-12,14-15H,8,10,13H2,1-2H3,(H,28,29)	C27H23NO4S	457.541	5	1	96.78	5	7	1	1.1707	6.21199000000001	3.77	6.84	55.972	136.7237	3.352	403.194936753613
Cond-004904	NPD4957	NPD4957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5982708082	OC[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3c2cccc3)C1=O	InChI=1S/C21H26N4O4/c26-13-15-4-3-10-24(15)19(27)8-7-18-20(28)25(21(29)23-18)11-9-14-12-22-17-6-2-1-5-16(14)17/h1-2,5-6,12,15,18,22,26H,3-4,7-11,13H2,(H,23,29)/t15-,18-/m0/s1	C21H26N4O4	398.456	8	3	105.74	4	8	0	-3.013	0.915580000000002	2.89	1.307	66.7833	111.4175	2.9661	361.239037770113
Cond-004905	NPD4958	NPD4958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3297783866	CC(C)C(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)NC(C)C(=O)O	InChI=1S/C20H28N4O5/c1-10(2)15(17(25)21-12(5)19(27)28)23-20(29)24-14-9-7-6-8-13(14)22-18(26)16(24)11(3)4/h6-12,15-16H,1-5H3,(H,21,25)(H,22,26)(H,23,29)(H,27,28)	C20H28N4O5	404.46	9	4	131.33	2	9	0	-0.858100000000001	3.10137	2.67	2.561	77.4825	114.151	3.1011	388.346197246408
Cond-004906	NPD4959	NPD4959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6064729227	Fc1ccc(cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccnc1	InChI=1S/C24H17FN4O/c25-17-9-7-16(8-10-17)22-23-19(18-5-1-2-6-20(18)28-23)12-21(29-22)24(30)27-14-15-4-3-11-26-13-15/h1-13,28H,14H2,(H,27,30)	C24H17FN4O	396.416	5	2	70.67	5	5	1	-0.5639	4.85297	3.44	5.073	16.3262	120.0647	2.86380000000001	331.948659490736
Cond-004907	NPD496	NPD496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.648107873	CCCCCc1ccc(cc1)C(=O)COc1ccc2c(oc(=O)c(C)c2C)c1	InChI=1S/C24H26O4/c1-4-5-6-7-18-8-10-19(11-9-18)22(25)15-27-20-12-13-21-16(2)17(3)24(26)28-23(21)14-20/h8-14H,4-7,15H2,1-3H3	C24H26O4	378.461	4	0	52.6	3	8	1	-0.1005	5.94537	3.66	7.286	56.2003	114.0835	3.0122	376.223492114247
Cond-004908	NPD4960	NPD4960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.1265366944	CC(C)c1ccc(NC(=O)C2C3O[C@]4(C=C3)C3C(C)C(=O)CC(N3C(=O)[C@H]24)c2ccco2)cc1	InChI=1S/C27H28N2O5/c1-14(2)16-6-8-17(9-7-16)28-25(31)22-21-10-11-27(34-21)23(22)26(32)29-18(20-5-4-12-33-20)13-19(30)15(3)24(27)29/h4-12,14-15,18,21-24H,13H2,1-3H3,(H,28,31)/t15?,18?,21?,22?,23-,24?,27-/m0/s1	C27H28N2O5	460.522	7	1	88.85	6	5	0	-1.1968	4.24217000000001	3.66	3.042	81.6968	128.6227	3.36740000000001	421.825817006341
Cond-004909	NPD4961	NPD4961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.1602416147	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC(CC3)C(=O)O)ccc12	InChI=1S/C25H25NO6/c1-16-20-8-7-19(31-15-23(27)26-11-9-18(10-12-26)24(28)29)14-22(20)32-25(30)21(16)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,28,29)	C25H25NO6	435.469	7	1	93.14	4	7	0	-0.844300000000002	3.87577000000001	3.44	4.895	63.9843	121.4938	3.2187	407.103772947802
Cond-004910	NPD4962	NPD4962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.783899874	Cc1c2oc(=O)c(CC(=O)NCc3ccco3)c(C)c2cc2c1oc1c2CCCC1	InChI=1S/C24H23NO5/c1-13-17-10-19-16-7-3-4-8-20(16)29-23(19)14(2)22(17)30-24(27)18(13)11-21(26)25-12-15-6-5-9-28-15/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,25,26)	C24H23NO5	405.443	6	1	81.68	5	5	0	0.114900000000002	4.45098000000001	3.44	3.558	60.2558	117.9747	2.9535	360.397561621374
Cond-004911	NPD4963	NPD4963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3759520816	CSC[C@H](NC(=O)COc1c2c(oc(=O)c3c2CCCC3)cc(C)c1)C(=O)O	InChI=1S/C20H23NO6S/c1-11-7-15(26-9-17(22)21-14(10-28-2)19(23)24)18-12-5-3-4-6-13(12)20(25)27-16(18)8-11/h7-8,14H,3-6,9-10H2,1-2H3,(H,21,22)(H,23,24)/t14-/m0/s1	C20H23NO6S	405.465	7	2	127.23	3	8	0	-0.506799999999997	2.82439	2.78	2.898	77.5933	108.7905	2.9153	370.298708679268
Cond-004912	NPD4964	NPD4964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4530766586	CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSC)C(=O)O)c12	InChI=1S/C20H25NO6S/c1-4-5-6-13-9-18(23)27-16-8-12(2)7-15(19(13)16)26-10-17(22)21-14(11-28-3)20(24)25/h7-9,14H,4-6,10-11H2,1-3H3,(H,21,22)(H,24,25)/t14-/m0/s1	C20H25NO6S	407.481	7	2	127.23	2	11	1	-0.429000000000002	3.07039	2.78	3.731	79.7716	110.9045	3.0239	382.655167380069
Cond-004913	NPD4965	NPD4965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2005958292	CCn1c2c(cccc2)c2c1ccc(NC(=O)COc1ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c1)c2	InChI=1S/C34H24N4O3/c1-2-37-28-10-6-5-7-22(28)26-17-20(11-13-29(26)37)36-31(39)19-41-21-12-14-30-27(18-21)24-15-16-35-32-23-8-3-4-9-25(23)34(40)38(30)33(24)32/h3-18H,2,19H2,1H3,(H,36,39)	C34H24N4O3	536.579	7	1	78.15	8	6	1	-1.2596	8.02577	4.43	7.169	33.9526	166.8357	3.87470000000001	447.00618939462
Cond-004914	NPD4966	NPD4966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6846607015	COc1ccc(cc1)c1cc(=O)oc2cc(OC(C)C(=O)NCCCO)ccc12	InChI=1S/C22H23NO6/c1-14(22(26)23-10-3-11-24)28-17-8-9-18-19(13-21(25)29-20(18)12-17)15-4-6-16(27-2)7-5-15/h4-9,12-14,24H,3,10-11H2,1-2H3,(H,23,26)	C22H23NO6	397.421	7	2	94.09	3	9	0	-1.5972	2.86377	3.11	3.129	55.8136	111.1945	2.9476	370.208736471802
Cond-004915	NPD4967	NPD4967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.454005935	Cc1c(C)c2c(OCC(=O)Nc3cc4c(OCCO4)cc3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C26H27NO7/c1-14-15(2)25(29)33-24-17-7-8-26(3,4)34-19(17)12-21(23(14)24)32-13-22(28)27-16-5-6-18-20(11-16)31-10-9-30-18/h5-6,11-12H,7-10,13H2,1-4H3,(H,27,28)	C26H27NO7	465.495	8	1	92.32	5	5	0	0.751800000000001	6.44494000000001	3.44	3.328	76.1638	133.5367	3.3527	423.46998427423
Cond-004916	NPD4968	NPD4968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.3366434955	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NC(C)C)cc31)c2=O	InChI=1S/C26H25N3O5/c1-13(2)28-25(30)14(3)34-15-6-8-19-18(12-15)16-10-11-27-22-17-7-9-20(32-4)24(33-5)21(17)26(31)29(19)23(16)22/h6-14H,1-5H3,(H,28,30)	C26H25N3O5	459.494	8	1	91.68	5	7	0	-1.5809	4.18429	3.44	3.203	55.5505	132.7817	3.3489	400.810133887841
Cond-004917	NPD4969	NPD4969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9421232961	CC(C)NC(=O)[C@H](NC(=O)COc1cc2c(CCC(C)(C)O2)c2c1c(C)c(C)c(=O)o2)c1ccccc1	InChI=1S/C29H34N2O6/c1-16(2)30-27(33)25(19-10-8-7-9-11-19)31-23(32)15-35-22-14-21-20(12-13-29(5,6)37-21)26-24(22)17(3)18(4)28(34)36-26/h7-11,14,16,25H,12-13,15H2,1-6H3,(H,30,33)(H,31,32)/t25-/m1/s1	C29H34N2O6	506.59	8	2	102.96	4	9	1	0.2971	4.97516000000001	3.77	5.16	89.4608	144.9974	3.8821	487.284471659436
Cond-004918	NPD4970	NPD4970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.132556089	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(Br)ccc3)cc12	InChI=1S/C22H22BrNO3/c1-3-4-6-15-10-20(25)27-22-14(2)21-16(9-19(15)22)12-24(13-26-21)18-8-5-7-17(23)11-18/h5,7-11H,3-4,6,12-13H2,1-2H3	C22H22BrNO3	428.319	4	0	38.77	4	4	1	1.0191	6.62128	3.33	6.062	59.4668	115.276	2.8809	353.401675347685
Cond-004919	NPD4972	NPD4972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.3541717822	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3cc(C)c(C)cc3)cc12	InChI=1S/C24H27NO3/c1-5-6-7-18-12-22(26)28-24-17(4)23-19(11-21(18)24)13-25(14-27-23)20-9-8-15(2)16(3)10-20/h8-12H,5-7,13-14H2,1-4H3	C24H27NO3	377.476	4	0	38.77	4	4	1	1.4143	5.91482000000001	3.66	6.485	61.8719	114.856	2.9877	368.710025621852
Cond-004920	NPD4973	NPD4973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.658224098	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c1c2	InChI=1S/C28H28N2O5/c1-14-17(4)34-26-16(3)27-21(9-20(14)26)15(2)22(28(33)35-27)10-25(32)29-11-18-8-19(13-29)23-6-5-7-24(31)30(23)12-18/h5-7,9,18-19H,8,10-13H2,1-4H3/t18-,19+/m1/s1	C28H28N2O5	472.532	7	0	80.06	6	3	0	0.829199999999998	3.74521000000001	3.77	2.156	101.9576	133.224	3.4653	436.485342931408
Cond-004921	NPD4974	NPD4974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.782178218	[C@@H](CNC(=O)[C@@H](N)C(C)C)(CC(=O)N[C@@H](C(C)C)C(=O)O)c1ccc(Cl)cc1	InChI=1S/C20H30ClN3O4/c1-11(2)17(22)19(26)23-10-14(13-5-7-15(21)8-6-13)9-16(25)24-18(12(3)4)20(27)28/h5-8,11-12,14,17-18H,9-10,22H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/t14-,17-,18-/m0/s1	C20H30ClN3O4	411.923	7	5	121.52	1	12	1	-0.943100000000001	2.37249	2.78	0.117	79.1854	112.2806	3.2166	398.763195509713
Cond-004922	NPD4975	NPD4975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	78.9275074479	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCc4c(Cl)cccc4Cl)cc31)c2=O	InChI=1S/C27H18Cl2N2O4/c1-33-22-9-7-16-23(26(22)34-2)27(32)31-21-8-6-14(35-13-18-19(28)4-3-5-20(18)29)12-17(21)15-10-11-30-24(16)25(15)31/h3-12H,13H2,1-2H3	C27H18Cl2N2O4	505.349	6	0	62.58	6	5	1	0.6077	6.43869	3.55	5.089	39.6356	139.451	3.3815	400.211891043446
Cond-004923	NPD4976	NPD4976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8908772708	COc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NC1CCN(Cc2ccccc2)CC1	InChI=1S/C31H30N4O2/c1-37-24-11-7-10-22(18-24)29-30-26(25-12-5-6-13-27(25)33-30)19-28(34-29)31(36)32-23-14-16-35(17-15-23)20-21-8-3-2-4-9-21/h2-13,18-19,23,33H,14-17,20H2,1H3,(H,32,36)	C31H30N4O2	490.595	6	2	70.25	6	7	1	-1.6854	5.79187000000001	4.21	7.095	44.313	153.4587	3.78250000000001	443.386761021258
Cond-004924	NPD4977	NPD4977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.4101290963	OC(CNC(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)c1ccccc1	InChI=1S/C28H21N3O4/c32-24(17-6-2-1-3-7-17)15-30-25(33)16-35-18-10-11-23-22(14-18)20-12-13-29-26-19-8-4-5-9-21(19)28(34)31(23)27(20)26/h1-14,24,32H,15-16H2,(H,30,33)	C28H21N3O4	463.484	7	2	93.45	6	7	1	-2.1246	5.33936000000001	3.77	5.34	31.7388	139.802	3.33440000000001	395.446041635813
Cond-004925	NPD4978	NPD4978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7291219235	CC(C)NC(=O)Cc1c(C)c2cc3c(oc4c3CCCC4)cc2oc1=O	InChI=1S/C21H23NO4/c1-11(2)22-20(23)9-15-12(3)14-8-16-13-6-4-5-7-17(13)25-19(16)10-18(14)26-21(15)24/h8,10-11H,4-7,9H2,1-3H3,(H,22,23)	C21H23NO4	353.412	5	1	68.54	4	4	0	-0.3324	4.39686000000001	3.22	3.447	63.6177	105.3857	2.6667	328.248757145613
Cond-004926	NPD4979	NPD4979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6510729932	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)N3CCOCC3)c(C)c1c2	InChI=1S/C20H21NO5/c1-11-13(3)25-17-10-18-15(8-14(11)17)12(2)16(20(23)26-18)9-19(22)21-4-6-24-7-5-21/h8,10H,4-7,9H2,1-3H3	C20H21NO5	355.384	6	0	68.98	4	3	0	0.847199999999999	2.96301	3	1.719	64.9845	100.41	2.5845	319.742999220307
Cond-004927	NPD498	NPD498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.4284840357	COc1ccc(O[C@@H]2O[C@H](CI)[C@@H](O)[C@H](O)[C@H]2O)cc1	InChI=1S/C13H17IO6/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-13,15-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1	C13H17IO6	396.175	6	3	88.38	2	4	0	-0.3786	0.81739	2.12	1.864	53.6753	81.2514	2.2045	267.900127206699
Cond-004928	NPD4980	NPD4980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4766633565	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCCCc1ccccc1	InChI=1S/C30H25N3O4/c1-36-24-15-14-20-25(28(24)37-2)30(35)33-23-13-7-6-12-19(23)21-17-22(32-26(20)27(21)33)29(34)31-16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-15,17H,8,11,16H2,1-2H3,(H,31,34)	C30H25N3O4	491.537	7	1	82.45	6	8	1	-1.5872	6.06537000000001	3.99	6.949	42.0038	148.5912	3.6162	430.038010887547
Cond-004929	NPD4981	NPD4981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0193042429	COc1ccc2c(C)c(CC(=O)NC(C)CCc3ccccc3)c(=O)oc2c1OC	InChI=1S/C24H27NO5/c1-15(10-11-17-8-6-5-7-9-17)25-21(26)14-19-16(2)18-12-13-20(28-3)23(29-4)22(18)30-24(19)27/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,25,26)	C24H27NO5	409.475	6	1	73.86	3	9	1	-0.300800000000001	4.47587000000001	3.44	5.558	63.3681	119.0017	3.1707	396.010479022974
Cond-004930	NPD4982	NPD4982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4022797319	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)O	InChI=1S/C27H34N4O5/c1-16(2)14-21(26(34)35)29-24(32)20(15-18-10-6-5-7-11-18)30-27(36)31-22-13-9-8-12-19(22)28-25(33)23(31)17(3)4/h5-13,16-17,20-21,23H,14-15H2,1-4H3,(H,28,33)(H,29,32)(H,30,36)(H,34,35)	C27H34N4O5	494.583	9	4	131.33	3	12	2	-0.5914	4.71427000000001	3.44	6.606	80.901	143.24	3.84980000000001	478.252254824275
Cond-004931	NPD4983	NPD4983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.390831851	CN(Cc1ccccc1)C(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O	InChI=1S/C20H19NO5/c1-12-15(10-18(24)21(2)11-13-6-4-3-5-7-13)20(25)26-17-9-14(22)8-16(23)19(12)17/h3-9,22-23H,10-11H2,1-2H3	C20H19NO5	353.369	6	2	87.07	3	5	0	-0.7792	3.05147000000001	3	2.853	47.201	99.0196	2.6071	326.826540519507
Cond-004932	NPD4984	NPD4984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7024303497	CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C22H27NO5/c1-5-12(2)18(10-24)23-21(25)7-6-15-14(4)17-8-16-13(3)11-27-19(16)9-20(17)28-22(15)26/h8-9,11-12,18,24H,5-7,10H2,1-4H3,(H,23,25)/t12-,18+/m0/s1	C22H27NO5	385.453	6	2	88.77	3	8	0	-0.0246000000000024	4.00869000000001	3.22	2.624	71.6698	110.0305	2.9749	366.691427172841
Cond-004933	NPD4985	NPD4985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.3663366337	OC(=O)C(NC(=O)CCCn1c(O)nc2ccccc2c1=O)c1ccccc1	InChI=1S/C20H19N3O5/c24-16(22-17(19(26)27)13-7-2-1-3-8-13)11-6-12-23-18(25)14-9-4-5-10-15(14)21-20(23)28/h1-5,7-10,17H,6,11-12H2,(H,21,28)(H,22,24)(H,26,27)	C20H19N3O5	381.382	8	3	119.3	3	8	0	-1.4713	2.20068	2.78	3.89	46.0756	104.6778	2.7637	346.183602235041
Cond-004934	NPD4986	NPD4986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9442992158	CCC(NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)O	InChI=1S/C20H21NO6/c1-5-13(19(23)24)21-15(22)7-12-11(4)17-14(27-20(12)25)6-9(2)16-10(3)8-26-18(16)17/h6,8,13H,5,7H2,1-4H3,(H,21,22)(H,23,24)	C20H21NO6	371.384	7	2	105.84	3	6	0	0.523800000000001	3.10281	2.89	2.069	63.6386	100.4395	2.7088	338.253225920868
Cond-004935	NPD4987	NPD4987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7622899813	CCCCc1cc(=O)oc2c3CN(CCc4ccc(Cl)cc4)COc3ccc12	InChI=1S/C23H24ClNO3/c1-2-3-4-17-13-22(26)28-23-19(17)9-10-21-20(23)14-25(15-27-21)12-11-16-5-7-18(24)8-6-16/h5-10,13H,2-4,11-12,14-15H2,1H3	C23H24ClNO3	397.895	4	0	38.77	4	6	1	0.4998	5.99517000000001	3.44	5.913	60.1452	116.453	2.9692	366.625108766419
Cond-004936	NPD4988	NPD4988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5006829753	COc1c(OC)cc2C(N(CCc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1	InChI=1S/C27H28N2O5/c1-33-23-16-20-13-14-29(25(19-11-7-4-8-12-19)21(20)17-24(23)34-2)27(32)28-22(26(30)31)15-18-9-5-3-6-10-18/h3-12,16-17,22,25H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t22-,25?/m0/s1	C27H28N2O5	460.522	7	2	88.1	4	9	1	-0.849	3.93289	3.66	6.834	52.5436	129.8805	3.4986	430.365817006341
Cond-004937	NPD4989	NPD4989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.3624627607	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)Nc1ccc2OCOc2c1	InChI=1S/C27H17N3O5/c31-24(29-15-5-8-22-23(11-15)35-14-34-22)13-33-16-6-7-21-20(12-16)18-9-10-28-25-17-3-1-2-4-19(17)27(32)30(21)26(18)25/h1-12H,13-14H2,(H,29,31)	C27H17N3O5	463.441	8	1	91.68	7	5	0	-1.9282	7.29894	3.55	4.475	28.5362	139.6672	3.14360000000001	374.583825009708
Cond-004938	NPD499	NPD499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0155139916	COC(=O)c1cc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c(C)o1	InChI=1S/C26H24O6/c1-15-20-10-11-22(30-14-19-13-23(26(28)29-4)31-17(19)3)16(2)24(20)32-25(27)21(15)12-18-8-6-5-7-9-18/h5-11,13H,12,14H2,1-4H3	C26H24O6	432.465	6	0	74.97	4	7	1	1.8798	4.80163000000001	3.66	6.717	55.4466	123.498	3.2168	399.866538664702
Cond-004939	NPD4990	NPD4990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.2621648461	CC(C)OC(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1CC(=C)C	InChI=1S/C27H24N2O4/c1-15(2)13-20-22(32-14-23(30)33-16(3)4)10-9-21-24(20)19-11-12-28-25-17-7-5-6-8-18(17)27(31)29(21)26(19)25/h5-12,16H,1,13-14H2,2-4H3	C27H24N2O4	440.49	6	0	70.42	5	7	1	0.580499999999999	6.82705000000001	3.77	5.464	54.1398	135.6445	3.2883	395.68267290418
Cond-004940	NPD4991	NPD4991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.52631579	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCc4ccncc4)cc31)c2=O	InChI=1S/C28H22N4O5/c1-35-22-6-4-19-24(27(22)36-2)28(34)32-21-5-3-17(13-20(21)18-9-12-30-25(19)26(18)32)37-15-23(33)31-14-16-7-10-29-11-8-16/h3-13H,14-15H2,1-2H3,(H,31,33)	C28H22N4O5	494.498	9	1	104.57	6	8	0	-1.7175	3.64309	3.55	2.673	40.4079	140.2357	3.4929	415.233028544541
Cond-004941	NPD4992	NPD4992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8166370283	Cc1c(CC(=O)NCC2(CC(=O)O)CCCCC2)c(=O)oc2cc(O)ccc12	InChI=1S/C21H25NO6/c1-13-15-6-5-14(23)9-17(15)28-20(27)16(13)10-18(24)22-12-21(11-19(25)26)7-3-2-4-8-21/h5-6,9,23H,2-4,7-8,10-12H2,1H3,(H,22,24)(H,25,26)	C21H25NO6	387.426	7	3	112.93	3	7	0	-1.7352	3.75088000000001	3	2.723	71.7943	107.0373	2.8927	369.085669247535
Cond-004942	NPD4993	NPD4993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5344945023	COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1cc2c(OCO2)cc1	InChI=1S/C18H15NO8/c1-23-18(22)14-13(8-2-3-11-12(4-8)25-7-24-11)16-15(27-17(14)19)10(21)5-9(6-20)26-16/h2-5,13,20H,6-7,19H2,1H3	C18H15NO8	373.314	9	3	126.54	4	4	0	-2.2936	1.07275	2.45	0.815	68.9524	92.4012	2.4358	319.785251369457
Cond-004943	NPD4994	NPD4994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2926817253	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)NCCCn3ccnc3)c(C)c1c2	InChI=1S/C24H27N3O4/c1-14-17(4)30-22-16(3)23-20(12-19(14)22)15(2)18(24(29)31-23)6-7-21(28)26-8-5-10-27-11-9-25-13-27/h9,11-13H,5-8,10H2,1-4H3,(H,26,28)	C24H27N3O4	421.489	7	1	86.36	4	8	0	1.4077	3.92533000000001	3.33	2.536	70.1181	121.1217	3.203	385.957314037947
Cond-004944	NPD4995	NPD4995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.1680981595	Clc1c2NC(=O)[C@]3(N4CCC[C@@H]4[C@@H](C(=O)c4cccs4)[C@@]43C(=O)Nc3c4cccc3)c2ccc1	InChI=1S/C26H20ClN3O3S/c27-16-8-3-7-15-21(16)29-24(33)26(15)25(14-6-1-2-9-17(14)28-23(25)32)20(18-10-4-12-30(18)26)22(31)19-11-5-13-34-19/h1-3,5-9,11,13,18,20H,4,10,12H2,(H,28,32)(H,29,33)/t18-,20+,25-,26-/m1/s1	C26H20ClN3O3S	489.973	6	2	106.75	7	2	0	-1.5995	5.56378	3.44	3.376	59.0145	133.5939	3.30020000000001	403.136854913152
Cond-004945	NPD4996	NPD4996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6807257246	COc1ccc2c(C)c(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c(=O)oc2c1OC	InChI=1S/C24H31NO5/c1-14-16-7-8-18(28-5)21(29-6)20(16)30-22(27)17(14)9-19(26)25-13-24(4)11-15(25)10-23(2,3)12-24/h7-8,15H,9-13H2,1-6H3	C24H31NO5	413.507	6	0	65.07	4	5	0	1.6525	4.76557000000001	3.44	3.773	90.4837	117.874	3.1911	402.463396424575
Cond-004946	NPD4997	NPD4997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.3454283255	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(=O)C)C3CC=C2C1	InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17?,18?,19?,20?,21-,22-,23-/m0/s1	C23H34O4	374.514	4	1	63.6	4	3	0	0.0395999999999985	4.36108000000001	3.55	3.782	101.7729	105.8608	3.0207	384.18980099238
Cond-004947	NPD4998	NPD4998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6290801187	COc1cc(cc(OC)c1OC)C(=O)Nc1c(oc2c1cccc2)c1cc(=O)oc2c1ccc(C)c2	InChI=1S/C28H23NO7/c1-15-9-10-17-19(14-24(30)35-21(17)11-15)26-25(18-7-5-6-8-20(18)36-26)29-28(31)16-12-22(32-2)27(34-4)23(13-16)33-3/h5-14H,1-4H3,(H,29,31)	C28H23NO7	485.485	8	1	96.23	5	7	1	-0.2279	5.56768	3.66	5.258	51.8252	139.4662	3.4625	425.716118722763
Cond-004948	NPD4999	NPD4999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.934682727	OC(=O)[C@@H]1Cc2c(CN1C(=O)Cn1c(O)nc3ccccc3c1=O)cccc2	InChI=1S/C20H17N3O5/c24-17(11-23-18(25)14-7-3-4-8-15(14)21-20(23)28)22-10-13-6-2-1-5-12(13)9-16(22)19(26)27/h1-8,16H,9-11H2,(H,21,28)(H,26,27)/t16-/m0/s1	C20H17N3O5	379.366	8	2	110.51	4	4	0	-1.3575	1.51808	2.78	3.353	48.0422	102.6241	2.6551	333.827143534241
Cond-004949	NPD5	NPD5	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	14.7291056265	[C@@H]12CCC3C4CC=C(/C(=N/NC(=S)N)/C)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C22H35N3OS/c1-13(24-25-20(23)27)17-6-7-18-16-5-4-14-12-15(26)8-10-21(14,2)19(16)9-11-22(17,18)3/h6,14-16,18-19,26H,4-5,7-12H2,1-3H3,(H3,23,25,27)/b24-13+/t14-,15?,16?,18?,19?,21-,22+/m0/s1	C22H35N3OS	389.598	4	4	102.73	4	3	1	0.722399999999998	4.06159000000001	3.33	6.186	109.3336	113.9599	3.1666	392.02244094693
Cond-004950	NPD50	NPD50	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7834324102	CCOC(=O)c1c(C)oc2ccc(OCc3ccc(o3)C(=O)OC)cc12	InChI=1S/C19H18O7/c1-4-23-19(21)17-11(2)25-15-7-5-12(9-14(15)17)24-10-13-6-8-16(26-13)18(20)22-3/h5-9H,4,10H2,1-3H3	C19H18O7	358.342	7	0	88.11	3	8	0	0.261600000000001	3.6874	2.78	3.297	43.5726	99.3745	2.5268	307.850707787396
Cond-004951	NPD500	NPD500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3578927457	CC1C(OC(N1C)c1ccccc1OC(=O)c1ccccc1)c1ccccc1	InChI=1S/C24H23NO3/c1-17-22(18-11-5-3-6-12-18)28-23(25(17)2)20-15-9-10-16-21(20)27-24(26)19-13-7-4-8-14-19/h3-17,22-23H,1-2H3	C24H23NO3	373.444	4	0	38.77	4	5	1	-0.0469999999999993	4.83789000000001	3.66	8.251	32.3775	111.869	2.9017	352.537108220252
Cond-004952	NPD5000	NPD5000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.0448864897	CC(Oc1ccc2c3c(CCC3)c(=O)oc2c1C)C(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C27H26N2O7/c1-13-23(9-7-18-17-4-3-5-19(17)27(34)36-24(13)18)35-14(2)25(31)29-22(26(32)33)10-15-12-28-21-8-6-16(30)11-20(15)21/h6-9,11-12,14,22,28,30H,3-5,10H2,1-2H3,(H,29,31)(H,32,33)	C27H26N2O7	490.505	9	4	137.95	5	8	0	-1.6456	4.36818000000001	3.44	2.721	71.8688	137.8543	3.5074	435.589811706664
Cond-004953	NPD5001	NPD5001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8539814266	CC(CCc1ccco1)NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O	InChI=1S/C24H25NO5/c1-13(7-8-17-6-5-9-28-17)25-23(26)11-20-15(3)19-10-18-14(2)16(4)29-21(18)12-22(19)30-24(20)27/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,25,26)	C24H25NO5	407.459	6	1	81.68	4	7	0	0.7693	4.83471000000001	3.44	4.035	62.7957	117.6447	3.0621	372.754020322174
Cond-004954	NPD5002	NPD5002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9679215861	Cc1c(c2c(o1)cc1oc(=O)c(CCC(=O)Nc3nccs3)c(C)c1c2)c1ccccc1	InChI=1S/C25H20N2O4S/c1-14-17(8-9-22(28)27-25-26-10-11-32-25)24(29)31-20-13-21-19(12-18(14)20)23(15(2)30-21)16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3,(H,26,27,28)	C25H20N2O4S	444.502	6	1	109.67	5	6	1	0.9659	6.87698	3.44	5.812	51.6734	131.2947	3.17	379.599727710047
Cond-004955	NPD5003	NPD5003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.01067925	COc1ccc(cc1)C1N(CCc2cc(OC)c(OC)cc12)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C22H26N2O6/c1-13(21(25)26)23-22(27)24-10-9-15-11-18(29-3)19(30-4)12-17(15)20(24)14-5-7-16(28-2)8-6-14/h5-8,11-13,20H,9-10H2,1-4H3,(H,23,27)(H,25,26)/t13-,20?/m0/s1	C22H26N2O6	414.452	8	2	97.33	3	8	0	-0.9119	2.71869	3	2.492	60.8927	111.9605	3.0904	383.841955380769
Cond-004956	NPD5004	NPD5004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1171797418	O=C(COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)NC1CCCC1	InChI=1S/C25H21N3O3/c29-22(27-15-5-1-2-6-15)14-31-16-9-10-21-20(13-16)18-11-12-26-23-17-7-3-4-8-19(17)25(30)28(21)24(18)23/h3-4,7-13,15H,1-2,5-6,14H2,(H,27,29)	C25H21N3O3	411.453	6	1	73.22	6	5	0	-2.8279	5.88946000000001	3.55	4.363	36.1084	126.5672	2.982	353.577237160052
Cond-004957	NPD5006	NPD5006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.870886638	COc1ccc2c(oc(=O)c(CCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c2C)c1	InChI=1S/C25H24N2O7/c1-13-17-5-4-16(33-2)11-22(17)34-25(32)18(13)6-8-23(29)27-21(24(30)31)9-14-12-26-20-7-3-15(28)10-19(14)20/h3-5,7,10-12,21,26,28H,6,8-9H2,1-2H3,(H,27,29)(H,30,31)	C25H24N2O7	464.467	9	4	137.95	4	9	0	-1.1771	3.64216	3.22	2.052	65.1162	129.4063	3.3342	413.35430115573
Cond-004958	NPD5007	NPD5007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.7490941359	CC(C)[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(occ3C)cc2oc1=O	InChI=1S/C20H23NO5/c1-10(2)16(8-22)21-19(23)6-15-12(4)14-5-13-11(3)9-25-17(13)7-18(14)26-20(15)24/h5,7,9-10,16,22H,6,8H2,1-4H3,(H,21,23)/t16-/m1/s1	C20H23NO5	357.4	6	2	88.77	3	6	0	0.589199999999999	3.22849	3	1.886	63.7266	100.7965	2.6931	332.099457921107
Cond-004959	NPD5008	NPD5008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.8055787458	Cc1cc(OCC(=O)NC[C@H]2CC[C@@H](CC2)C(=O)O)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C24H29NO6/c1-14-10-19(22-17-4-2-3-5-18(17)24(29)31-20(22)11-14)30-13-21(26)25-12-15-6-8-16(9-7-15)23(27)28/h10-11,15-16H,2-9,12-13H2,1H3,(H,25,26)(H,27,28)/t15-,16-	C24H29NO6	427.49	7	2	101.93	4	7	0	-0.470999999999999	3.89919000000001	3.33	3.241	85.0119	116.9355	3.2068	408.617164424336
Cond-004960	NPD5009	NPD5009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.6186693148	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(CC1)C(=O)c1ccco1	InChI=1S/C30H24N4O6/c1-38-22-10-9-18-24(27(22)39-2)30(37)34-21-7-4-3-6-17(21)19-16-20(31-25(18)26(19)34)28(35)32-11-13-33(14-12-32)29(36)23-8-5-15-40-23/h3-10,15-16H,11-14H2,1-2H3	C30H24N4O6	536.535	10	0	107.11	7	6	0	-2.1157	4.89397	3.66	2.989	57.424	152.01	3.7248	446.258765796036
Cond-004961	NPD501	NPD501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9573833526	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)Cc6c(onc6)C(C)(C)C5CC[C@@]34C)C2C1	InChI=1S/C32H45NO4/c1-27(2)23-9-10-32(7)24(30(23,5)16-19-18-33-37-25(19)27)22(34)15-20-21-17-29(4,26(35)36-8)12-11-28(21,3)13-14-31(20,32)6/h15,18,21,23-24H,9-14,16-17H2,1-8H3/t21?,23?,24?,28-,29+,30+,31-,32-/m1/s1	C32H45NO4	507.704	5	0	69.4	6	2	1	2.9725	6.92817000000001	4.43	7.506	131.53	146.799	4.0854	509.964588030148
Cond-004962	NPD5010	NPD5010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.8391871488	Clc1cccc(Cl)c1c1ccc(o1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C22H18Cl2N2O3/c23-15-3-1-4-16(24)21(15)18-7-8-19(29-18)22(28)25-10-13-9-14(12-25)17-5-2-6-20(27)26(17)11-13/h1-8,13-14H,9-12H2/t13-,14+/m1/s1	C22H18Cl2N2O3	429.296	5	0	53.76	5	3	0	-0.0680000000000009	4.68836	3.11	3.041	72.2307	116.3505	2.8989	360.544034717552
Cond-004963	NPD5011	NPD5011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7234251004	CCCOC(=O)c1ccc(cc1)N1COc2c(C1)cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C26H23NO5/c1-3-12-30-25(28)17-8-10-19(11-9-17)27-14-18-13-22-20-6-4-5-7-21(20)26(29)32-24(22)16(2)23(18)31-15-27/h4-11,13H,3,12,14-15H2,1-2H3	C26H23NO5	429.465	6	0	65.07	5	5	1	0.110900000000001	6.09819000000001	3.66	6.295	45.0712	127.1315	3.1493	389.716613471508
Cond-004964	NPD5012	NPD5012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.982777075	Cc1cc(C)c(NC(=O)CN2c3ccccc3C(=O)N3C[C@@H](O)C[C@H]3C2=O)cc1	InChI=1S/C22H23N3O4/c1-13-7-8-17(14(2)9-13)23-20(27)12-25-18-6-4-3-5-16(18)21(28)24-11-15(26)10-19(24)22(25)29/h3-9,15,19,26H,10-12H2,1-2H3,(H,23,27)/t15-,19-/m0/s1	C22H23N3O4	393.436	7	2	89.95	4	4	0	-1.7664	2.71912	3.11	2.755	54.7998	110.771	2.9212	362.265344786213
Cond-004965	NPD5013	NPD5013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9943628246	CCc1ccc(cc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2ccc(OC)c1OC	InChI=1S/C28H22N2O3/c1-4-16-9-11-17(12-10-16)20-15-29-25-19-13-14-22(32-2)27(33-3)24(19)28(31)30-21-8-6-5-7-18(21)23(20)26(25)30/h5-15H,4H2,1-3H3	C28H22N2O3	434.486	5	0	53.35	6	4	1	-0.431500000000001	6.17019000000001	3.99	7.188	32.4236	135.111	3.2189	378.295513427886
Cond-004966	NPD5014	NPD5014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.8111356146	COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1	InChI=1S/C24H31N3O3/c1-16(2)12-22(23(28)26-14-17-8-10-20(30-3)11-9-17)27-24(29)21-13-18-6-4-5-7-19(18)15-25-21/h4-11,16,21-22,25H,12-15H2,1-3H3,(H,26,28)(H,27,29)/t21-,22+/m0/s1	C24H31N3O3	409.521	6	3	79.46	3	10	0	-1.1419	2.11169	3.44	4.808	65.1538	118.7311	3.2959	403.060004738986
Cond-004967	NPD5015	NPD5015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7556874382	CN(C)CCCNC(=O)COc1c2c(C)cc(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C22H30N2O5/c1-14-11-19(26)28-21-15-7-8-22(2,3)29-16(15)12-17(20(14)21)27-13-18(25)23-9-6-10-24(4)5/h11-12H,6-10,13H2,1-5H3,(H,23,25)	C22H30N2O5	402.484	7	1	77.1	3	8	0	0.436699999999996	3.61196000000001	3.11	2.124	85.7715	116.7347	3.1177	391.224646081808
Cond-004968	NPD5016	NPD5016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.4532374101	COc1ccc(/C=C/C(=O)c2c(O)cccc2)cc1COc1ccc(NC(=O)C)cc1	InChI=1S/C25H23NO5/c1-17(27)26-20-9-11-21(12-10-20)31-16-19-15-18(8-14-25(19)30-2)7-13-24(29)22-5-3-4-6-23(22)28/h3-15,28H,16H2,1-2H3,(H,26,27)/b13-7+	C25H23NO5	417.454	6	2	84.86	3	9	1	-1.1822	5.33677000000001	3.55	5.534	44.6671	125.1345	3.1826	394.497087546441
Cond-004969	NPD5017	NPD5017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	74.7444392443	CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(oc(C)c3c3ccccc3)cc2oc1=O)C(=O)O	InChI=1S/C30H32N2O7/c1-5-16(2)28(29(35)36)32-26(34)15-31-25(33)12-11-20-17(3)21-13-22-24(14-23(21)39-30(20)37)38-18(4)27(22)19-9-7-6-8-10-19/h6-10,13-14,16,28H,5,11-12,15H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t16-,28+/m0/s1	C30H32N2O7	532.584	9	3	134.94	4	12	2	-0.961500000000002	4.91339000000001	3.77	5.357	83.7711	152.3392	3.9957	497.197765584264
Cond-004970	NPD5018	NPD5018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.408417309	Cc1c(CCC(=O)NCCCc2ccco2)c(=O)oc2cc(O)ccc12	InChI=1S/C20H21NO5/c1-13-16-7-6-14(22)12-18(16)26-20(24)17(13)8-9-19(23)21-10-2-4-15-5-3-11-25-15/h3,5-7,11-12,22H,2,4,8-10H2,1H3,(H,21,23)	C20H21NO5	355.384	6	2	88.77	3	8	0	-0.545299999999999	3.75887	3	2.533	52.7876	99.8505	2.6501	329.462999220307
Cond-004971	NPD5019	NPD5019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5648127577	COc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1OC	InChI=1S/C24H23NO6/c1-12-8-19-22(23-21(12)13(2)11-30-23)14(3)16(24(27)31-19)10-20(26)25-15-6-7-17(28-4)18(9-15)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)	C24H23NO6	421.443	7	1	87	4	6	0	1.0538	5.3794	3.33	3.247	58.9178	119.0007	3.0778	378.907788321935
Cond-004972	NPD502	NPD502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.160528216	Fc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O	InChI=1S/C30H23FN2O9/c31-21-16-33(30(38)32-25(21)34)26-24(42-29(37)20-14-8-3-9-15-20)23(41-28(36)19-12-6-2-7-13-19)22(40-26)17-39-27(35)18-10-4-1-5-11-18/h1-16,22-24,26H,17H2,(H,32,34,38)/t22-,23-,24-,26-/m1/s1	C30H23FN2O9	574.51	11	1	137.54	5	11	3	-1.3294	3.27678	3.44	7.599	63.1498	143.9967	3.89320000000001	500.579943032492
Cond-004973	NPD5020	NPD5020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.450108674	CC(Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O	InChI=1S/C23H22N2O4/c1-13(9-15-12-24-20-6-4-3-5-18(15)20)25-22(27)11-19-14(2)17-8-7-16(26)10-21(17)29-23(19)28/h3-8,10,12-13,24,26H,9,11H2,1-2H3,(H,25,27)	C23H22N2O4	390.432	6	3	91.42	4	6	0	-0.7899	4.17876000000001	3.33	3.513	51.6895	116.2755	2.9193	355.028110503113
Cond-004974	NPD5021	NPD5021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1627964734	CC(C)CCNC(=O)C1C2OC3(CN(CCc4c[nH]c5c4cccc5)C(=O)C13)C=C2	InChI=1S/C24H29N3O3/c1-15(2)8-11-25-22(28)20-19-7-10-24(30-19)14-27(23(29)21(20)24)12-9-16-13-26-18-6-4-3-5-17(16)18/h3-7,10,13,15,19-21,26H,8-9,11-12,14H2,1-2H3,(H,25,28)	C24H29N3O3	407.505	6	2	74.43	5	8	0	-1.4257	2.73807	3.44	2.57	78.8326	119.2177	3.1217	380.983546038186
Cond-004975	NPD5022	NPD5022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.389646315	CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3ccccc23)c(=O)c2c1cc1OCOc1c2	InChI=1S/C26H26N4O5/c1-2-30-14-19(25(32)18-11-22-23(12-21(18)30)35-15-34-22)26(33)28-10-8-24(31)27-9-7-16-13-29-20-6-4-3-5-17(16)20/h3-6,11-14,29H,2,7-10,15H2,1H3,(H,27,31)(H,28,33)	C26H26N4O5	474.508	9	3	112.76	5	10	0	-1.8258	3.77955000000001	3.33	3.352	70.6552	137.5689	3.4487	422.706894096008
Cond-004976	NPD5023	NPD5023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.992294013	CC(Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(C)c2cc3c(oc(C)c3C)c(C)c2oc1=O	InChI=1S/C28H28N2O4/c1-14(10-19-13-29-24-9-7-6-8-20(19)24)30-25(31)12-23-16(3)22-11-21-15(2)18(5)33-26(21)17(4)27(22)34-28(23)32/h6-9,11,13-14,29H,10,12H2,1-5H3,(H,30,31)	C28H28N2O4	456.533	6	2	84.33	5	6	0	1.2398	5.28422000000001	3.88	4.836	67.4807	137.7317	3.4722	415.615116230847
Cond-004977	NPD5024	NPD5024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.7084908903	CCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(OC)cc3)cc12	InChI=1S/C22H23NO4/c1-4-5-15-11-20(24)27-22-14(2)21-16(10-19(15)22)12-23(13-26-21)17-6-8-18(25-3)9-7-17/h6-11H,4-5,12-13H2,1-3H3	C22H23NO4	365.422	5	0	48	4	4	0	0.3665	5.47728	3.33	4.615	55.2719	109.511	2.7646	342.90828307068
Cond-004978	NPD5025	NPD5025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7225714215	COc1ccc(cc1)c1cc(=O)oc2cc(OC(C)C(=O)NCc3ncccc3)ccc12	InChI=1S/C25H22N2O5/c1-16(25(29)27-15-18-5-3-4-12-26-18)31-20-10-11-21-22(14-24(28)32-23(21)13-20)17-6-8-19(30-2)9-7-17/h3-14,16H,15H2,1-2H3,(H,27,29)	C25H22N2O5	430.453	7	1	86.75	4	8	0	-0.860500000000001	4.19697	3.44	4.744	45.6252	123.1167	3.1738	393.137389053808
Cond-004979	NPD5028	NPD5028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6233945861	O=C(CNC(=O)c1ccccc1)N1C[C@@H]2C[C@@H](C1)n1c(=O)cccc1C2	InChI=1S/C20H21N3O3/c24-18-8-4-7-16-9-14-10-17(23(16)18)13-22(12-14)19(25)11-21-20(26)15-5-2-1-3-6-15/h1-8,14,17H,9-13H2,(H,21,26)/t14-,17-/m0/s1	C20H21N3O3	351.399	6	1	69.72	4	5	0	-1.7394	1.40577	3	1.862	71.7186	98.6392	2.6237	332.419607534719
Cond-004980	NPD5029	NPD5029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0307845084	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCc1ccc(Cl)cc1	InChI=1S/C28H20ClN3O4/c1-35-22-12-11-18-23(26(22)36-2)28(34)32-21-6-4-3-5-17(21)19-13-20(31-24(18)25(19)32)27(33)30-14-15-7-9-16(29)10-8-15/h3-13H,14H2,1-2H3,(H,30,33)	C28H20ClN3O4	497.929	7	1	82.45	6	6	1	-0.6173	5.94667	3.66	5.063	39.8424	143.3612	3.45680000000001	410.657109406247
Cond-004981	NPD503	NPD503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7380119171	COc1cc2c(cc1OC)C1=C(OC2c2ccc(Br)cc2)c2c(cccc2)C1=O	InChI=1S/C24H17BrO4/c1-27-19-11-17-18(12-20(19)28-2)23(13-7-9-14(25)10-8-13)29-24-16-6-4-3-5-15(16)22(26)21(17)24/h3-12,23H,1-2H3	C24H17BrO4	449.293	4	0	44.76	5	3	1	0.142300000000001	5.02419	3.55	6.177	42.0199	113.931	2.884	354.621276288613
Cond-004982	NPD5030	NPD5030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2859783984	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cccc1C)C(C)C)C(=O)Nc1cc(OC)ccc1OC	InChI=1S/C24H29N3O4/c1-13(2)18-12-17(22(28)25-19-11-15(30-4)9-10-20(19)31-5)24(27-18)16-8-6-7-14(3)21(16)26-23(24)29/h6-11,13,17-18,27H,12H2,1-5H3,(H,25,28)(H,26,29)/t17-,18-,24+/m1/s1	C24H29N3O4	423.505	7	3	88.69	4	6	0	-0.8031	4.29970000000001	3.33	3.685	66.3588	121.6511	3.246	399.493772738747
Cond-004983	NPD5031	NPD5031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2095332671	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC/C=C/c4ccccc4)c(CC(=C)C)c31)c2=O	InChI=1S/C33H28N2O4/c1-20(2)19-24-26(39-18-8-11-21-9-6-5-7-10-21)15-13-25-28(24)23-16-17-34-30-22-12-14-27(37-3)32(38-4)29(22)33(36)35(25)31(23)30/h5-17H,1,18-19H2,2-4H3/b11-8+	C33H28N2O4	516.586	6	0	62.58	6	8	1	1.197	7.34746	4.43	7.875	57.7532	159.631	3.8961	468.292745856181
Cond-004984	NPD5032	NPD5032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3951337221	Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C22H25NO6/c1-13-15-9-14-5-8-22(6-3-2-4-7-22)29-17(14)11-18(15)28-21(27)16(13)10-19(24)23-12-20(25)26/h9,11H,2-8,10,12H2,1H3,(H,23,24)(H,25,26)	C22H25NO6	399.437	7	2	101.93	4	5	0	-0.887899999999997	4.23337000000001	3.11	2.684	74.3219	112.0635	2.925	374.025195172602
Cond-004985	NPD5033	NPD5033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.6412217519	O=N(=O)c1cc(Cl)c(cc1)c1ccc(o1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C22H18ClN3O5/c23-17-9-15(26(29)30)4-5-16(17)19-6-7-20(31-19)22(28)24-10-13-8-14(12-24)18-2-1-3-21(27)25(18)11-13/h1-7,9,13-14H,8,10-12H2/t13-,14+/m1/s1	C22H18ClN3O5	439.848	8	0	96.9	5	4	0	-0.152200000000001	3.80216	2.89	2.832	70.5051	119.8685	2.9507	371.273721855607
Cond-004986	NPD5034	NPD5034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.7126593364	CC(=O)c1cccc(OCCCCN2CCCCC2c2cnccc2)c1	InChI=1S/C22H28N2O2/c1-18(25)19-8-6-10-21(16-19)26-15-5-4-14-24-13-3-2-11-22(24)20-9-7-12-23-17-20/h6-10,12,16-17,22H,2-5,11,13-15H2,1H3	C22H28N2O2	352.47	4	0	42.43	3	8	0	-1.8504	4.29769000000001	3.44	4.203	47.38	105.821	2.8986	351.317507279325
Cond-004987	NPD5035	NPD5035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4018071993	CCCCc1ccc(cc1)N1COc2c(C1)cc1c(CCCC)cc(=O)oc1c2C	InChI=1S/C26H31NO3/c1-4-6-8-19-10-12-22(13-11-19)27-16-21-14-23-20(9-7-5-2)15-24(28)30-26(23)18(3)25(21)29-17-27/h10-15H,4-9,16-17H2,1-3H3	C26H31NO3	405.529	4	0	38.77	4	7	1	-0.332000000000002	7.20138000000001	3.88	7.869	67.455	126.188	3.2695	403.301994873586
Cond-004988	NPD5036	NPD5036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9176052164	Oc1ccc(CCNC(=O)C2CCCN(C2)c2c3nc[nH]c3ncn2)cc1	InChI=1S/C19H22N6O2/c26-15-5-3-13(4-6-15)7-8-20-19(27)14-2-1-9-25(10-14)18-16-17(22-11-21-16)23-12-24-18/h3-6,11-12,14,26H,1-2,7-10H2,(H,20,27)(H,21,22,23,24)	C19H22N6O2	366.417	8	3	107.03	4	6	0	-1.389	2.31807	2.67	1.341	45.7775	106.5815	2.7235	317.523676832791
Cond-004989	NPD5037	NPD5037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.317916751	Cc1c2c(coc2c2c(oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c2C)c1)c1ccccc1	InChI=1S/C25H22N2O7/c1-13-8-18-23(24-22(13)17(12-33-24)15-6-4-3-5-7-15)14(2)16(25(32)34-18)9-19(28)26-10-20(29)27-11-21(30)31/h3-8,12H,9-11H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)	C25H22N2O7	462.451	9	3	134.94	4	9	0	-0.7628	3.3105	3.22	3.264	62.5689	127.9792	3.2912	410.71784245493
Cond-004990	NPD5038	NPD5038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.7375829479	Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C26H28N2O4/c1-17-20-13-19-5-10-26(8-3-2-4-9-26)32-22(19)15-23(20)31-25(30)21(17)14-24(29)28-16-18-6-11-27-12-7-18/h6-7,11-13,15H,2-5,8-10,14,16H2,1H3,(H,28,29)	C26H28N2O4	432.512	6	1	77.52	5	5	0	-0.4347	5.22176000000001	3.66	4.181	67.2528	125.6837	3.2764	408.096064380714
Cond-004991	NPD5039	NPD5039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2203901066	Cc1c(C)c2c(OCC(=O)N3CCC(CC3)C(=O)O)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C24H29NO7/c1-13-14(2)23(29)31-21-16-5-8-24(3,4)32-17(16)11-18(20(13)21)30-12-19(26)25-9-6-15(7-10-25)22(27)28/h11,15H,5-10,12H2,1-4H3,(H,27,28)	C24H29NO7	443.49	8	1	102.37	4	5	0	0.0994999999999971	4.25736000000001	3.22	2.152	89.5897	122.1108	3.2655	417.407391124897
Cond-004992	NPD504	NPD504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4530576027	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)c1ccccc1	InChI=1S/C28H34O4/c1-27-14-12-20(29)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)25(30)17-32-26(31)18-6-4-3-5-7-18/h3-7,16,21-24H,8-15,17H2,1-2H3/t21?,22?,23?,24?,27-,28-/m0/s1	C28H34O4	434.567	4	0	60.44	5	5	1	0.614399999999999	5.45518000000001	4.1	7.275	97.3371	124.683	3.4446	436.867430617714
Cond-004993	NPD5040	NPD5040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7371695179	CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1	InChI=1S/C24H22N2O5/c1-12-9-19-22(23-21(12)13(2)11-30-23)14(3)18(24(29)31-19)10-20(28)26-17-7-5-16(6-8-17)25-15(4)27/h5-9,11H,10H2,1-4H3,(H,25,27)(H,26,28)	C24H22N2O5	418.442	7	2	97.64	4	6	0	0.5325	5.32060000000001	3.33	3.381	57.1521	120.2004	3.0759	378.477863128741
Cond-004994	NPD5041	NPD5041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.6166832175	COc1ccc(NC(=O)COc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)cc1	InChI=1S/C29H23N3O6/c1-35-17-6-4-16(5-7-17)31-24(33)15-38-18-8-10-22-21(14-18)19-12-13-30-26-20-9-11-23(36-2)28(37-3)25(20)29(34)32(22)27(19)26/h4-14H,15H2,1-3H3,(H,31,33)	C29H23N3O6	509.509	9	1	100.91	6	8	0	-1.7809	5.51858	3.66	3.682	43.0115	146.7747	3.59270000000001	430.322479662802
Cond-004995	NPD5042	NPD5042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	93.3807547915	COc1c(OC)cc(cc1)c1coc2c1cc1c(oc(=O)c(CCC(=O)O)c1C)c2	InChI=1S/C23H20O7/c1-12-14(5-7-22(24)25)23(26)30-20-10-19-16(9-15(12)20)17(11-29-19)13-4-6-18(27-2)21(8-13)28-3/h4,6,8-11H,5,7H2,1-3H3,(H,24,25)	C23H20O7	408.401	7	1	95.2	4	6	0	0.2272	5.45738	3.22	2.823	52.5568	116.0408	2.8958	359.405270188463
Cond-004996	NPD5043	NPD5043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5962625589	Cc1coc2c3c(oc(=O)c(CC(=O)Nc4cccc(F)c4)c3C)cc(C)c12	InChI=1S/C22H18FNO4/c1-11-7-17-20(21-19(11)12(2)10-27-21)13(3)16(22(26)28-17)9-18(25)24-15-6-4-5-14(23)8-15/h4-8,10H,9H2,1-3H3,(H,24,25)	C22H18FNO4	379.381	5	1	68.54	4	4	0	1.6371	5.5013	3.22	4.094	45.1587	105.8547	2.6963	332.802924519386
Cond-004997	NPD5044	NPD5044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.401713647	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12	InChI=1S/C31H30N2O5/c1-19-24-11-12-27(20(2)30(24)38-31(36)25(19)14-21-7-4-3-5-8-21)37-18-29(35)32-15-22-13-23(17-32)26-9-6-10-28(34)33(26)16-22/h3-12,22-23H,13-18H2,1-2H3/t22-,23+/m1/s1	C31H30N2O5	510.58	7	0	76.15	6	6	1	-0.0327000000000021	4.74907000000001	4.1	5.016	95.3368	147.094	3.802	483.100379407408
Cond-004998	NPD5045	NPD5045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.178748759	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)C(=O)NCc1cc2c(OCO2)cc1	InChI=1S/C29H21N3O5/c1-16(28(33)31-14-17-6-9-24-25(12-17)36-15-35-24)37-18-7-8-23-22(13-18)20-10-11-30-26-19-4-2-3-5-21(19)29(34)32(23)27(20)26/h2-13,16H,14-15H2,1H3,(H,31,33)	C29H21N3O5	491.494	8	1	91.68	7	6	0	-1.8206	4.84888	3.77	4.944	37.9079	142.1157	3.4254	409.175794261441
Cond-004999	NPD5047	NPD5047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6285638156	COc1ccc(CCn2c(=O)c(C3NCCc4c3[nH]c3c4cccc3)c(O)nc2O)cc1OC	InChI=1S/C25H26N4O5/c1-33-18-8-7-14(13-19(18)34-2)10-12-29-24(31)20(23(30)28-25(29)32)22-21-16(9-11-26-22)15-5-3-4-6-17(15)27-21/h3-8,13,22,26-27,30H,9-12H2,1-2H3,(H,28,32)	C25H26N4O5	462.498	9	4	119.41	5	6	0	-0.493199999999999	2.78036000000001	3.22	2.801	68.2936	131.9113	3.3508	408.047368170941
Cond-005000	NPD5048	NPD5048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5441753684	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)NCC3CCCO3)c(C)c1c2)c1ccccc1	InChI=1S/C26H25NO5/c1-15-19-11-21-23(31-16(2)25(21)17-7-4-3-5-8-17)13-22(19)32-26(29)20(15)12-24(28)27-14-18-9-6-10-30-18/h3-5,7-8,11,13,18H,6,9-10,12,14H2,1-2H3,(H,27,28)	C26H25NO5	431.48	6	1	77.77	5	6	1	-0.4444	5.08679000000001	3.66	5.237	59.2791	127.6747	3.1923	392.353072172308
Cond-005001	NPD5049	NPD5049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.813306852	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCc1ccc(F)cc1	InChI=1S/C28H20FN3O4/c1-35-22-12-11-18-23(26(22)36-2)28(34)32-21-6-4-3-5-17(21)19-13-20(31-24(18)25(19)32)27(33)30-14-15-7-9-16(29)10-8-15/h3-13H,14H2,1-2H3,(H,30,33)	C28H20FN3O4	481.475	7	1	82.45	6	6	0	-0.8819	5.43237	3.66	4.926	35.0993	138.3092	3.3521	401.51360048612
Cond-005002	NPD5050	NPD5050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3062537704	CN(C)CCCNC(=O)Cc1c(C)c2cc3c(occ3c3ccccc3)cc2oc1=O	InChI=1S/C25H26N2O4/c1-16-18-12-20-21(17-8-5-4-6-9-17)15-30-22(20)14-23(18)31-25(29)19(16)13-24(28)26-10-7-11-27(2)3/h4-6,8-9,12,14-15H,7,10-11,13H2,1-3H3,(H,26,28)	C25H26N2O4	418.485	6	1	71.78	4	8	0	-0.1736	4.85067000000001	3.55	4.598	59.9094	125.8027	3.2011	389.620079754847
Cond-005003	NPD5051	NPD5051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.6603773585	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)C(=O)NC1CC1	InChI=1S/C24H19N3O3/c1-13(23(28)26-14-6-7-14)30-15-8-9-20-19(12-15)17-10-11-25-21-16-4-2-3-5-18(16)24(29)27(20)22(17)21/h2-5,8-14H,6-7H2,1H3,(H,26,28)	C24H19N3O3	397.426	6	1	73.22	6	5	0	-2.1559	3.92109	3.44	4.173	34.9447	117.5637	2.8411	336.281252534185
Cond-005004	NPD5052	NPD5052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0227373177	CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSC)C(=O)O)c12	InChI=1S/C19H23NO6S/c1-4-5-12-8-17(22)26-15-7-11(2)6-14(18(12)15)25-9-16(21)20-13(10-27-3)19(23)24/h6-8,13H,4-5,9-10H2,1-3H3,(H,20,21)(H,23,24)/t13-/m0/s1	C19H23NO6S	393.454	7	2	127.23	2	10	0	-0.141000000000002	2.68029	2.67	3.162	76.86	106.2875	2.883	365.359182754202
Cond-005005	NPD5053	NPD5053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7575167851	Oc1nc2c(C3C(COc4c3cc(Br)cc4)CO2)c(O)n1	InChI=1S/C14H11BrN2O4/c15-7-1-2-9-8(3-7)10-6(4-20-9)5-21-13-11(10)12(18)16-14(19)17-13/h1-3,6,10H,4-5H2,(H2,16,17,18,19)	C14H11BrN2O4	351.152	6	2	84.7	4	0	0	-0.6244	3.49778	2.23	1.592	32.918	80.6868	1.9982	240.093702651078
Cond-005006	NPD5054	NPD5054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.711321873	COCC(O)CNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O	InChI=1S/C18H23NO7/c1-10-12-5-6-14(24-3)17(25-4)16(12)26-18(22)13(10)7-15(21)19-8-11(20)9-23-2/h5-6,11,20H,7-9H2,1-4H3,(H,19,21)	C18H23NO7	365.378	8	2	103.32	2	9	0	-0.615400000000002	1.46187	2.56	-0.0209999999999999	68.9972	97.5265000000001	2.6803	340.980859472096
Cond-005007	NPD5056	NPD5056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.7562504646	COc1cc(OC)c(/C=C/2\Oc3c(ccc(OCC(=O)N[C@H](C)C(=O)O)c3)C2=O)cc1OC	InChI=1S/C23H23NO9/c1-12(23(27)28)24-21(25)11-32-14-5-6-15-17(9-14)33-20(22(15)26)8-13-7-18(30-3)19(31-4)10-16(13)29-2/h5-10,12H,11H2,1-4H3,(H,24,25)(H,27,28)/b20-8-/t12-/m1/s1	C23H23NO9	457.43	10	2	129.62	3	10	0	-1.8886	3.34946	2.89	2.093	68.6222	122.514	3.2216	411.238942498552
Cond-005008	NPD5057	NPD5057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2584181097	CCOc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccc(F)cc1	InChI=1S/C28H24FN3O2/c1-2-34-25-10-6-4-8-21(25)26-27-22(20-7-3-5-9-23(20)31-27)17-24(32-26)28(33)30-16-15-18-11-13-19(29)14-12-18/h3-14,17,31H,2,15-16H2,1H3,(H,30,33)	C28H24FN3O2	453.507	5	2	67.01	5	8	1	-0.1097	6.23867000000001	3.88	7.017	32.3876	139.0617	3.38630000000001	398.926064486598
Cond-005009	NPD5058	NPD5058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.388302496	COC(=O)Cc1c(C)c2cc3c(OCN(CCc4cc(OC)c(OC)cc4)C3)c(C)c2oc1=O	InChI=1S/C26H29NO7/c1-15-19-11-18-13-27(9-8-17-6-7-21(30-3)22(10-17)31-4)14-33-24(18)16(2)25(19)34-26(29)20(15)12-23(28)32-5/h6-7,10-11H,8-9,12-14H2,1-5H3	C26H29NO7	467.511	8	0	83.53	4	8	0	1.3553	4.14999000000001	3.44	3.142	78.9707	129.912	3.4613	435.82644297503
Cond-005010	NPD506	NPD506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.747060295	OC1(O)c2c(cccc2)C(=O)[C@@]1(O)[C@@]1(O)C(=O)c2c(cccc2)C1(O)O	InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H/t15-,16+	C18H14O8	358.299	8	6	155.52	4	1	1	-3.8192	-2.1427	2.56	2.197	35.2868	85.4073	2.336	297.88849116129
Cond-005011	NPD5060	NPD5060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.4324019054	CCCCc1cc(=O)oc2c(C)c3c(CN(CO3)c3ccc(C)cc3)cc12	InChI=1S/C23H25NO3/c1-4-5-6-17-12-21(25)27-23-16(3)22-18(11-20(17)23)13-24(14-26-22)19-9-7-15(2)8-10-19/h7-12H,4-6,13-14H2,1-3H3	C23H25NO3	363.449	4	0	38.77	4	4	1	0.7723	5.88680000000001	3.55	6.162	56.3698	111.216	2.8468	351.414040995985
Cond-005012	NPD5061	NPD5061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.716254812	Cc1cc(=O)oc2c(C)c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12	InChI=1S/C24H24N2O5/c1-14-8-23(29)31-24-15(2)20(7-6-18(14)24)30-13-22(28)25-10-16-9-17(12-25)19-4-3-5-21(27)26(19)11-16/h3-8,16-17H,9-13H2,1-2H3/t16-,17+/m1/s1	C24H24N2O5	420.458	7	0	76.15	5	4	0	-0.399999999999999	3.13617	3.33	1.464	91.8808	118.005	3.0533	393.194321829541
Cond-005013	NPD5062	NPD5062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5503539054	CC1(C)CC(=O)c2c(O1)cc(OCC(=O)NCc1ccccc1)cc2O	InChI=1S/C20H21NO5/c1-20(2)10-16(23)19-15(22)8-14(9-17(19)26-20)25-12-18(24)21-11-13-6-4-3-5-7-13/h3-9,22H,10-12H2,1-2H3,(H,21,24)	C20H21NO5	355.384	6	2	84.86	3	6	0	-1.2284	3.59697	3	3.024	46.1817	102.5122	2.6501	329.462999220307
Cond-005014	NPD5063	NPD5063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6033776232	COc1ccc(CCNC(=O)COc2cc3c(C(=O)CC(C)(C)O3)c(O)c2)cc1	InChI=1S/C22H25NO6/c1-22(2)12-18(25)21-17(24)10-16(11-19(21)29-22)28-13-20(26)23-9-8-14-4-6-15(27-3)7-5-14/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,23,26)	C22H25NO6	399.437	7	2	94.09	3	8	0	-1.0246	3.98757	3.11	2.305	57.9493	114.6872	2.9906	372.845195172602
Cond-005015	NPD5064	NPD5064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6410559787	CC(Oc1c(Cl)cc2c(oc(=O)c3c2CCCC3)c1)C(=O)NC(Cc1c[nH]c2c1cc(O)cc2)C(=O)O	InChI=1S/C27H25ClN2O7/c1-13(25(32)30-22(26(33)34)8-14-12-29-21-7-6-15(31)9-18(14)21)36-24-11-23-19(10-20(24)28)16-4-2-3-5-17(16)27(35)37-23/h6-7,9-13,22,29,31H,2-5,8H2,1H3,(H,30,32)(H,33,34)	C27H25ClN2O7	524.95	9	4	137.95	5	8	0	-1.8313	4.82816000000001	3.33	3.274	74.8939	141.5143	3.6298	450.800879477097
Cond-005016	NPD5065	NPD5065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.5148514851	COC(=O)c1c(NC(=O)[C@H](C)n2c(O)nc3ccccc3c2=O)cccc1	InChI=1S/C19H17N3O5/c1-11(16(23)20-15-10-6-4-8-13(15)18(25)27-2)22-17(24)12-7-3-5-9-14(12)21-19(22)26/h3-11H,1-2H3,(H,20,23)(H,21,26)/t11-/m0/s1	C19H17N3O5	367.355	8	2	108.3	3	6	0	-0.9274	2.36778	2.67	4.037	44.5704	102.045	2.6228	328.887617609174
Cond-005017	NPD5066	NPD5066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9139355183	COc1cccc(c1)n1c(O)nc(O)c(C2NCCc3c2[nH]c2c3cccc2)c1=O	InChI=1S/C22H20N4O4/c1-30-13-6-4-5-12(11-13)26-21(28)17(20(27)25-22(26)29)19-18-15(9-10-23-19)14-7-2-3-8-16(14)24-18/h2-8,11,19,23-24,27H,9-10H2,1H3,(H,25,29)	C22H20N4O4	404.419	8	4	110.18	5	3	0	-0.7086	3.26075	3	2.944	51.8138	117.8523	2.8694	347.36918759278
Cond-005018	NPD5067	NPD5067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9876240687	COc1cc(OC)c2c(oc(=O)c(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2C)c1	InChI=1S/C25H26N2O6/c1-14-18(25(30)33-21-9-17(31-2)8-20(32-3)24(14)21)10-23(29)26-11-15-7-16(13-26)19-5-4-6-22(28)27(19)12-15/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+/m1/s1	C25H26N2O6	450.484	8	0	85.38	5	5	0	-0.843800000000001	2.95135000000001	3.33	0.908	98.2334	123.207	3.2529	419.280533155969
Cond-005019	NPD5068	NPD5068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2343594836	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=C)C)c(CC(=C)C)c31)c2=O	InChI=1S/C28H26N2O4/c1-15(2)13-19-21(34-14-16(3)4)10-8-20-23(19)18-11-12-29-25-17-7-9-22(32-5)27(33-6)24(17)28(31)30(20)26(18)25/h7-12H,1,3,13-14H2,2,4-6H3	C28H26N2O4	454.517	6	0	62.58	5	7	0	1.8831	6.31906000000001	3.88	4.034	61.8638	139.761	3.4292	412.978657530047
Cond-005020	NPD5069	NPD5069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9572830001	COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1c1ccccc1	InChI=1S/C25H32N2O5/c1-16(2)13-20(24(28)32-5)26-25(29)27-12-11-18-14-21(30-3)22(31-4)15-19(18)23(27)17-9-7-6-8-10-17/h6-10,14-16,20,23H,11-13H2,1-5H3,(H,26,29)/t20-,23?/m0/s1	C25H32N2O5	440.532	7	1	77.1	3	10	1	0.1681	3.82469	3.44	5.325	71.1669	123.5697	3.4544	426.939682557808
Cond-005021	NPD507	NPD507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.7524752475	CCCc1cc2c(oc(C)c(c2=O)c2cc3c(OCO3)cc2)cc1OC(=O)C	InChI=1S/C22H20O6/c1-4-5-14-8-16-19(10-18(14)28-13(3)23)27-12(2)21(22(16)24)15-6-7-17-20(9-15)26-11-25-17/h6-10H,4-5,11H2,1-3H3	C22H20O6	380.391	6	0	71.06	4	5	0	-0.711200000000001	5.85295	3.22	4.703	53.9877	110.2275	2.7392	346.855517562835
Cond-005022	NPD5070	NPD5070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8549608841	CC(=O)NC1C(O)C(O)C(CO)OC1Oc1ccc(cc1)N1CCN(CC1)C(=O)C	InChI=1S/C20H29N3O7/c1-12(25)21-17-19(28)18(27)16(11-24)30-20(17)29-15-5-3-14(4-6-15)23-9-7-22(8-10-23)13(2)26/h3-6,16-20,24,27-28H,7-11H2,1-2H3,(H,21,25)	C20H29N3O7	423.46	10	4	131.8	3	7	0	-2.9371	-0.58772	2.56	-0.035	79.8919	112.2061	3.0961	387.846349140163
Cond-005023	NPD5071	NPD5071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.9900990099	CC(C)C(CO)NC(=O)C(Cc1ccccc1)n1c(O)nc2ccccc2c1=O	InChI=1S/C22H25N3O4/c1-14(2)18(13-26)23-20(27)19(12-15-8-4-3-5-9-15)25-21(28)16-10-6-7-11-17(16)24-22(25)29/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,23,27)(H,24,29)	C22H25N3O4	395.452	7	3	102.23	3	8	1	-0.853700000000001	2.29838	3.11	5.178	56.4912	113.9603	3.0298	374.621803487013
Cond-005024	NPD5072	NPD5072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.2969215492	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1CC(=C)C)C(=O)O	InChI=1S/C25H20N2O4/c1-13(2)12-18-20(31-14(3)25(29)30)9-8-19-21(18)17-10-11-26-22-15-6-4-5-7-16(15)24(28)27(19)23(17)22/h4-11,14H,1,12H2,2-3H3,(H,29,30)	C25H20N2O4	412.437	6	1	81.42	5	5	0	0.475599999999999	6.34855	3.55	4.786	44.5316	126.6473	3.0065	361.090703652446
Cond-005025	NPD5073	NPD5073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9319904219	CC(=O)c1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1	InChI=1S/C24H21NO5/c1-12-9-19-22(23-21(12)13(2)11-29-23)14(3)18(24(28)30-19)10-20(27)25-17-7-5-16(6-8-17)15(4)26/h5-9,11H,10H2,1-4H3,(H,25,27)	C24H21NO5	403.427	6	1	85.61	4	5	0	0.9035	5.5648	3.44	3.637	55.0566	115.9012	2.9761	367.481102920574
Cond-005026	NPD5074	NPD5074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.679385738	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(=O)NCC(O)c1ccccc1	InChI=1S/C26H23NO5/c1-17-23(31-16-24(29)27-15-22(28)19-10-6-3-7-11-19)13-12-20-21(14-25(30)32-26(17)20)18-8-4-2-5-9-18/h2-14,22,28H,15-16H2,1H3,(H,27,29)	C26H23NO5	429.465	6	2	84.86	4	8	1	-0.773400000000001	4.06029000000001	3.66	6.801	45.1145	124.9355	3.2149	399.436613471508
Cond-005027	NPD5075	NPD5075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3188920981	CC(C)NC(=O)COc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1CC(=C)C	InChI=1S/C27H25N3O3/c1-15(2)13-20-22(33-14-23(31)29-16(3)4)10-9-21-24(20)19-11-12-28-25-17-7-5-6-8-18(17)27(32)30(21)26(19)25/h5-12,16H,1,13-14H2,2-4H3,(H,29,31)	C27H25N3O3	439.506	6	1	73.22	5	7	0	0.0367999999999995	5.32417000000001	3.77	4.933	55.2896	135.3917	3.3294	397.889206411786
Cond-005028	NPD5076	NPD5076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.653172731	Cc1c(C)c2c(OCC(=O)Nc3nccs3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C21H22N2O5S/c1-11-12(2)19(25)27-18-13-5-6-21(3,4)28-14(13)9-15(17(11)18)26-10-16(24)23-20-22-7-8-29-20/h7-9H,5-6,10H2,1-4H3,(H,22,23,24)	C21H22N2O5S	414.475	7	1	114.99	4	5	0	1.6274	5.62945	2.89	2.853	71.2947	116.1577	2.9457	363.908309411141
Cond-005029	NPD5077	NPD5077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.7765640516	CC(Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1)C(=O)NCc1ccco1	InChI=1S/C26H19N3O4/c1-15(25(30)28-14-17-5-4-12-32-17)33-16-8-9-22-21(13-16)19-10-11-27-23-18-6-2-3-7-20(18)26(31)29(22)24(19)23/h2-13,15H,14H2,1H3,(H,28,30)	C26H19N3O4	437.447	7	1	86.36	6	6	0	-1.672	4.19319	3.55	4.512	32.0549	128.6267	3.09560000000001	363.49053108488
Cond-005030	NPD5078	NPD5078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7689059978	O=C(NCCc1c[nH]c2c1cccc2)C1[C@H]2OC3(CN(Cc4ccc5OCOc5c4)C(=O)C13)C=C2	InChI=1S/C27H25N3O5/c31-25(28-10-8-17-12-29-19-4-2-1-3-18(17)19)23-21-7-9-27(35-21)14-30(26(32)24(23)27)13-16-5-6-20-22(11-16)34-15-33-20/h1-7,9,11-12,21,23-24,29H,8,10,13-15H2,(H,28,31)/t21-,23?,24?,27?/m0/s1	C27H25N3O5	471.504	8	2	92.89	7	7	0	-2.0133	2.78216000000001	3.55	2.026	69.1253	132.4697	3.3156	406.929659812908
Cond-005031	NPD5079	NPD5079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5551142006	CCCCNC(=O)C(C)Oc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C25H23N3O3/c1-3-4-12-27-24(29)15(2)31-16-9-10-21-20(14-16)18-11-13-26-22-17-7-5-6-8-19(17)25(30)28(21)23(18)22/h5-11,13-15H,3-4,12H2,1-2H3,(H,27,29)	C25H23N3O3	413.468	6	1	73.22	5	7	0	-2.0426	4.55879000000001	3.55	4.98	42.1577	124.3167	3.0906	365.933695860852
Cond-005032	NPD508	NPD508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9856876167	[C@@H](NC(=O)C(C)Oc1cc2c(cc1CC)c(C)cc(=O)o2)(C(C)C)C(=O)OC	InChI=1S/C21H27NO6/c1-7-14-9-15-12(4)8-18(23)28-17(15)10-16(14)27-13(5)20(24)22-19(11(2)3)21(25)26-6/h8-11,13,19H,7H2,1-6H3,(H,22,24)/t13?,19-/m1/s1	C21H27NO6	389.442	7	1	90.93	2	9	0	0.5556	3.70516	3	3.376	79.0288	110.2837	3.0013	381.442127948335
Cond-005033	NPD5080	NPD5080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2352169501	O=N(=O)c1ccc(COc2ccc3n4c5c(ccnc5c5c(cccc5)c4=O)c3c2)cc1	InChI=1S/C25H15N3O4/c29-25-20-4-2-1-3-18(20)23-24-19(11-12-26-23)21-13-17(9-10-22(21)27(24)25)32-14-15-5-7-16(8-6-15)28(30)31/h1-13H,14H2	C25H15N3O4	421.404	7	0	87.26	6	4	1	-0.1172	4.88189	3.44	6.094	17.6628	124.855	2.9117	343.558087758213
Cond-005034	NPD5081	NPD5081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2772277228	[C@@H](CNC(=O)[C@@H]1CSCN1)(CC(=O)N[C@H](C(=O)O)c1ccccc1)c1ccc(Cl)cc1	InChI=1S/C22H24ClN3O4S/c23-17-8-6-14(7-9-17)16(11-24-21(28)18-12-31-13-25-18)10-19(27)26-20(22(29)30)15-4-2-1-3-5-15/h1-9,16,18,20,25H,10-13H2,(H,24,28)(H,26,27)(H,29,30)/t16-,18-,20-/m0/s1	C22H24ClN3O4S	461.962	7	4	132.83	3	11	1	-1.1517	2.42729	2.89	3.828	66.4673	123.4949	3.3157	408.341895315046
Cond-005035	NPD5082	NPD5082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1596920402	COc1cc2c([nH]cc2CCNC(=O)COc2ccc3c(oc(=O)c4c3cccc4)c2C)cc1	InChI=1S/C27H24N2O5/c1-16-24(10-8-20-19-5-3-4-6-21(19)27(31)34-26(16)20)33-15-25(30)28-12-11-17-14-29-23-9-7-18(32-2)13-22(17)23/h3-10,13-14,29H,11-12,15H2,1-2H3,(H,28,30)	C27H24N2O5	456.49	7	2	89.65	5	8	0	-0.6448	5.13819000000001	3.66	4.959	45.1962	137.3027	3.347	404.472899604741
Cond-005036	NPD5083	NPD5083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.5064548163	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCc4c(F)cccc4F)cc31)c2=O	InChI=1S/C27H18F2N2O4/c1-33-22-9-7-16-23(26(22)34-2)27(32)31-21-8-6-14(35-13-18-19(28)4-3-5-20(18)29)12-17(21)15-10-11-30-24(16)25(15)31/h3-12H,13H2,1-2H3	C27H18F2N2O4	472.44	6	0	62.58	6	5	0	0.0784999999999998	5.41009	3.55	4.815	30.1494	129.347	3.1721	381.924873203193
Cond-005037	NPD5085	NPD5085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.4553856828	COc1c(CNC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(C)C)cccc1	InChI=1S/C23H29N3O3/c1-15(2)21(23(28)25-14-18-10-6-7-11-20(18)29-3)26-22(27)19-12-16-8-4-5-9-17(16)13-24-19/h4-11,15,19,21,24H,12-14H2,1-3H3,(H,25,28)(H,26,27)/t19-,21+/m0/s1	C23H29N3O3	395.495	6	3	79.46	3	9	0	-1.3975	2.27709	3.33	4.239	60.702	116.4411	3.155	385.764020113119
Cond-005038	NPD5086	NPD5086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4014652924	Cc1c(C)c2c(OCC(=O)N3CCC(O)CC3)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C23H29NO6/c1-13-14(2)22(27)29-21-16-5-8-23(3,4)30-17(16)11-18(20(13)21)28-12-19(26)24-9-6-15(25)7-10-24/h11,15,25H,5-10,12H2,1-4H3	C23H29NO6	415.479	7	1	85.3	4	4	0	-0.0266999999999996	3.91746000000001	3.22	2.07	84.7113	116.9918	3.1089	393.957638499269
Cond-005039	NPD5088	NPD5088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.586210283	CCCCc1cc(=O)oc2c3CN(COc3ccc12)c1cc(C)c(C)cc1	InChI=1S/C23H25NO3/c1-4-5-6-17-12-22(25)27-23-19(17)9-10-21-20(23)13-24(14-26-21)18-8-7-15(2)16(3)11-18/h7-12H,4-6,13-14H2,1-3H3	C23H25NO3	363.449	4	0	38.77	4	4	1	0.7723	5.88680000000001	3.55	6.373	56.3698	111.216	2.8468	351.414040995985
Cond-005040	NPD5089	NPD5089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9000197589	[C@H]1(CSC2N1C(=O)c1c2cccc1)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C22H19N3O4S/c26-19(18-11-30-21-15-7-2-1-6-14(15)20(27)25(18)21)24-17(22(28)29)9-12-10-23-16-8-4-3-5-13(12)16/h1-8,10,17-18,21,23H,9,11H2,(H,24,26)(H,28,29)/t17-,18+,21?/m1/s1	C22H19N3O4S	421.469	7	3	127.8	5	6	0	-1.4472	2.36588	3	3.353	52.5965	117.106	2.9331	354.881451442213
Cond-005041	NPD509	NPD509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1697033292	C[C@@H]1CCC2[C@](C)(COC(=O)C)[C@H](CC[C@]2(C)[C@]21CCC(CCOC(=O)C)(COC(=O)C)O2)OC(=O)C	InChI=1S/C28H44O9/c1-18-8-9-23-25(6,16-34-20(3)30)24(36-22(5)32)10-11-26(23,7)28(18)13-12-27(37-28,17-35-21(4)31)14-15-33-19(2)29/h18,23-24H,8-17H2,1-7H3/t18-,23?,24+,25+,26+,27?,28-/m1/s1	C28H44O9	524.644	9	0	114.43	3	12	1	-0.00859999999999891	4.37189000000001	3.55	4.471	127.68	136.43	4.0843	524.34085762452
Cond-005042	NPD5090	NPD5090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9581741404	COCCNC(=O)Cc1c(C)c2cc3c(oc(C)c3c3ccccc3)cc2oc1=O	InChI=1S/C24H23NO5/c1-14-17-11-19-21(29-15(2)23(19)16-7-5-4-6-8-16)13-20(17)30-24(27)18(14)12-22(26)25-9-10-28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)	C24H23NO5	405.443	6	1	77.77	4	7	0	0.2843	4.55419000000001	3.44	4.694	55.7547	120.5767	3.0191	370.117561621374
Cond-005043	NPD5091	NPD5091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4048709911	COc1c(cccc1)c1c(C)oc2cc(OCC(=O)OCC=C)ccc2c1=O	InChI=1S/C22H20O6/c1-4-11-26-20(23)13-27-15-9-10-17-19(12-15)28-14(2)21(22(17)24)16-7-5-6-8-18(16)25-3/h4-10,12H,1,11,13H2,2-3H3	C22H20O6	380.391	6	0	71.06	3	8	0	0.0672999999999995	4.28766	3.22	4.278	55.7718	107.6115	2.8048	356.575517562835
Cond-005044	NPD5092	NPD5092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6026077649	CC(C)C(=O)N1C(=O)C2(N(CCc3c2[nH]c2c3cccc2)C(=O)C(C)C)c2ccccc12	InChI=1S/C26H27N3O3/c1-15(2)23(30)28-14-13-18-17-9-5-7-11-20(17)27-22(18)26(28)19-10-6-8-12-21(19)29(25(26)32)24(31)16(3)4/h5-12,15-16,27H,13-14H2,1-4H3	C26H27N3O3	429.511	6	1	73.48	5	4	0	-0.3626	4.14658000000001	3.66	4.091	64.7647	126.802	3.2745	396.766139187519
Cond-005045	NPD5094	NPD5094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0073264622	COc1ccc2c(oc(=O)c(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2C)c1	InChI=1S/C25H26N2O5/c1-15-19-7-6-18(31-2)11-22(19)32-25(30)20(15)8-9-23(28)26-12-16-10-17(14-26)21-4-3-5-24(29)27(21)13-16/h3-7,11,16-17H,8-10,12-14H2,1-2H3/t16-,17+/m1/s1	C25H26N2O5	434.484	7	0	76.15	5	5	0	-0.729600000000002	3.33285	3.44	1.521	95.783	121.272	3.1942	410.490306455408
Cond-005046	NPD5097	NPD5097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6916415296	CC(C)N1C(=O)C(NC(=O)C(=O)NCCc2c[nH]c3c2cccc3)c2cc(C)ccc12	InChI=1S/C24H26N4O3/c1-14(2)28-20-9-8-15(3)12-18(20)21(24(28)31)27-23(30)22(29)25-11-10-16-13-26-19-7-5-4-6-17(16)19/h4-9,12-14,21,26H,10-11H2,1-3H3,(H,25,29)(H,27,30)	C24H26N4O3	418.488	7	3	94.3	4	8	0	-1.5205	2.865	3.33	4.253	58.8087	123.2284	3.2011	385.527388844752
Cond-005047	NPD5098	NPD5098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2957088645	[C@@H]1(C[C@@H](N[C@@]21C(=O)Nc1c2cccc1)C(C)O)C(=O)Nc1ccc(OC)cc1	InChI=1S/C21H23N3O4/c1-12(25)18-11-16(19(26)22-13-7-9-14(28-2)10-8-13)21(24-18)15-5-3-4-6-17(15)23-20(21)27/h3-10,12,16,18,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/t12?,16-,18-,21+/m1/s1	C21H23N3O4	381.425	7	4	99.69	4	5	0	-2.4256	2.98788	3	2.69	51.1343	108.3019	2.8233	347.605818861146
Cond-005048	NPD5099	NPD5099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.7070176736	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCCN3CCOCC3)c1C)c2	InChI=1S/C22H26N2O5/c1-14-13-28-19-12-20-18(11-17(14)19)15(2)16(22(26)29-20)3-4-21(25)23-5-6-24-7-9-27-10-8-24/h11-13H,3-10H2,1-2H3,(H,23,25)	C22H26N2O5	398.452	7	1	81.01	4	7	0	0.5065	2.93389	3.11	1.102	76.4398	111.8277	2.9661	365.331728680208
Cond-005049	NPD51	NPD51	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.721448468	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O	InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16?,17?,18?,22?,23-,24-,25-/m0/s1	C25H34O8	462.533	8	3	138.2	4	7	0	-0.922599999999999	2.35738	3.33	0.234	116.4115	118.8584	3.4513	448.669759644758
Cond-005050	NPD510	NPD510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.268906781	CCCCCCCCCCCCCCCC(=O)N1CC[C@@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)C1(C)C	InChI=1S/C36H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33(39)38-28-27-36(35(38,2)3)31-24-20-21-25-32(31)37(34(36)40)29-30-22-17-16-18-23-30/h16-18,20-25H,4-15,19,26-29H2,1-3H3/t36-/m1/s1	C36H52N2O2	544.81	4	0	40.62	4	17	2	-4.4244	9.38488	4.98	12.577	93.4464	169.384	4.7196	578.468374639857
Cond-005051	NPD5100	NPD5100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9473488141	CC(=CCOc1ccc2c(C)c(CCC(=O)NCCCO)c(=O)oc2c1C)C	InChI=1S/C22H29NO5/c1-14(2)10-13-27-19-8-6-17-15(3)18(22(26)28-21(17)16(19)4)7-9-20(25)23-11-5-12-24/h6,8,10,24H,5,7,9,11-13H2,1-4H3,(H,23,25)	C22H29NO5	387.469	6	2	84.86	2	10	0	1.4205	4.06458000000001	3.22	2.416	83.365	113.4825	3.0835	389.947885873641
Cond-005052	NPD5102	NPD5102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1325452599	CCOC(=O)C(C(C(C(=O)C)C(=O)OCC)c1ccc(OCCC(C)C)cc1)C(=O)C	InChI=1S/C24H34O7/c1-7-29-23(27)20(16(5)25)22(21(17(6)26)24(28)30-8-2)18-9-11-19(12-10-18)31-14-13-15(3)4/h9-12,15,20-22H,7-8,13-14H2,1-6H3	C24H34O7	434.523	7	0	95.97	1	15	1	-0.262500000000001	3.96559000000001	3.33	4.924	88.6388	118.984	3.4915	443.48000701913
Cond-005053	NPD5103	NPD5103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4591613534	CCC1(C)C[C@@](CCN(Cc2ccccc2)C(=O)C)(CCO1)c1ccc(OC)cc1	InChI=1S/C26H35NO3/c1-5-25(3)20-26(16-18-30-25,23-11-13-24(29-4)14-12-23)15-17-27(21(2)28)19-22-9-7-6-8-10-22/h6-14H,5,15-20H2,1-4H3/t25?,26-/m1/s1	C26H35NO3	409.561	4	0	38.77	3	9	1	-0.4155	5.24529000000001	3.88	6.915	69.0619	123.191	3.4211	418.294912275186
Cond-005054	NPD5104	NPD5104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7853120491	CCOC(=O)CC1(CC(=O)OCC)N2C[C@@]3(C)CN1C[C@@](C)(C2)C3=O	InChI=1S/C18H28N2O5/c1-5-24-13(21)7-18(8-14(22)25-6-2)19-9-16(3)10-20(18)12-17(4,11-19)15(16)23/h5-12H2,1-4H3/t16-,17+	C18H28N2O5	352.425	7	0	76.15	0	8	0	0.966199999999999	1.04949	2.67	-0.201	90.1994	92.841	2.6831	340.850083680741
Cond-005055	NPD5105	NPD5105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.4263508168	COc1ccc(CNCCC(C2CCOC(C)(C)C2)c2c(OC)cccc2)cc1OC	InChI=1S/C26H37NO4/c1-26(2)17-20(13-15-31-26)21(22-8-6-7-9-23(22)28-3)12-14-27-18-19-10-11-24(29-4)25(16-19)30-5/h6-11,16,20-21,27H,12-15,17-18H2,1-5H3	C26H37NO4	427.576	5	1	48.95	3	10	1	-0.955	5.34239000000001	3.77	5.268	71.8354	125.6647	3.5228	429.721597676547
Cond-005056	NPD5106	NPD5106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5991529762	Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3c1cccc3)C(=C(N)O2)C(=O)OCc1ccccc1	InChI=1S/C24H18N2O6/c1-13-11-17-18(22(28)31-13)24(15-9-5-6-10-16(15)26-23(24)29)19(20(25)32-17)21(27)30-12-14-7-3-2-4-8-14/h2-11H,12,25H2,1H3,(H,26,29)/t24-/m1/s1	C24H18N2O6	430.41	8	3	116.95	5	4	1	-1.5118	2.80815	3.22	5.133	64.1431	114.0811	2.983	383.175172427702
Cond-005057	NPD5108	NPD5108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5404833345	COc1ccc(cc1)C(=O)COc1ccc2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C26H22O5/c1-17-22-13-12-21(30-16-24(27)19-8-10-20(29-2)11-9-19)15-25(22)31-26(28)23(17)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3	C26H22O5	414.45	5	0	61.83	4	7	1	0.412199999999999	5.44407	3.77	6.981	43.1161	121.8785	3.1151	388.439853263341
Cond-005058	NPD5109	NPD5109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9530206305	COC(=O)c1ccc(COc2c3c(oc(=O)c4c3CCCC4)cc(C)c2)o1	InChI=1S/C21H20O6/c1-12-9-17(25-11-13-7-8-16(26-13)21(23)24-2)19-14-5-3-4-6-15(14)20(22)27-18(19)10-12/h7-10H,3-6,11H2,1-2H3	C21H20O6	368.38	6	0	74.97	4	5	0	-0.109100000000001	4.0303	3.11	4.033	55.165	102.24	2.6413	332.195991637768
Cond-005059	NPD511	NPD511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.7788647763	CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(=O)C)OC(=O)C)COC(=O)C	InChI=1S/C31H47NO7/c1-18(17-37-20(3)34)7-10-28(36)39-27-16-26-24-9-8-22-15-23(38-21(4)35)11-13-30(22,5)25(24)12-14-31(26,6)29(27)32-19(2)33/h8,18,23-27,29H,7,9-17H2,1-6H3,(H,32,33)/t18?,23?,24?,25?,26?,27?,29?,30-,31-/m0/s1	C31H47NO7	545.707	8	1	108	4	12	2	0.320500000000005	5.04678000000001	3.99	5.175	141.6011	148.1287	4.3378	554.652200907563
Cond-005060	NPD5110	NPD5110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9908002165	CCc1c(OCC(=O)NC(C(=O)O)c2ccccc2)cc2oc(=O)cc(C)c2c1	InChI=1S/C22H21NO6/c1-3-14-10-16-13(2)9-20(25)29-18(16)11-17(14)28-12-19(24)23-21(22(26)27)15-7-5-4-6-8-15/h4-11,21H,3,12H2,1-2H3,(H,23,24)(H,26,27)	C22H21NO6	395.405	7	2	101.93	3	8	0	-0.364300000000001	3.60386	3.11	4.359	55.3324	111.0875	2.9046	367.572277771002
Cond-005061	NPD5111	NPD5111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3732710102	Cc1cc(=O)oc2cc(OCC(=O)Oc3cc4c(cc3)c(=O)c(Oc3ccccc3)co4)ccc12	InChI=1S/C27H18O8/c1-16-11-25(28)35-23-12-18(7-9-20(16)23)31-15-26(29)34-19-8-10-21-22(13-19)32-14-24(27(21)30)33-17-5-3-2-4-6-17/h2-14H,15H2,1H3	C27H18O8	470.427	8	0	97.36	5	7	1	-0.8026	6.46933	3.55	6.242	50.7622	133.5665	3.23750000000001	414.477141888491
Cond-005062	NPD5112	NPD5112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0713146833	CCCCCc1ccc(cc1)c1coc2c1cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C25H26O3/c1-5-6-7-8-18-9-11-19(12-10-18)22-14-27-23-17(4)24-20(13-21(22)23)15(2)16(3)25(26)28-24/h9-14H,5-8H2,1-4H3	C25H26O3	374.472	3	0	39.44	4	5	1	1.0071	7.17329000000001	3.88	8.107	51.7944	117.548	2.9858	361.472791338752
Cond-005063	NPD5113	NPD5113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9846354544	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CN	InChI=1S/C23H31NO6/c1-21-7-5-14(25)9-13(21)3-4-15-16-6-8-23(29,18(27)12-30-19(28)11-24)22(16,2)10-17(26)20(15)21/h5,7,9,15-17,20,26,29H,3-4,6,8,10-12,24H2,1-2H3/t15?,16?,17?,20?,21-,22-,23-/m0/s1	C23H31NO6	417.495	7	4	126.92	4	5	0	-1.44020000000001	1.15347	3.22	0.228	109.7068	110.679	3.1519	407.494097200069
Cond-005064	NPD5117	NPD5117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	NA	CC1(C)C2CCC1(C)C(C2)OC(=O)C[N+]1(CC(=O)OC2CC3CCC2(C)C3(C)C)CCCCC1	InChI=1S/C29H48NO4/c1-26(2)20-10-12-28(26,5)22(16-20)33-24(31)18-30(14-8-7-9-15-30)19-25(32)34-23-17-21-11-13-29(23,6)27(21,3)4/h20-23H,7-19H2,1-6H3/q+1	C29H48NO4+	474.696	5	0	52.6	5	8	1	-0.0634999999999986	5.73699000000001	4.1	6.608	123.3006	135.0404	3.9218	490.560698306148
Cond-005065	NPD512	NPD512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3244226628	COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1	InChI=1S/C21H20O5/c1-12-13(2)20(22)26-19-14(3)18(10-9-17(12)19)25-11-15-5-7-16(8-6-15)21(23)24-4/h5-10H,11H2,1-4H3	C21H20O5	352.38	5	0	61.83	3	5	0	1.7802	4.56059	3.22	4.239	48.9961	101.9115	2.6482	333.125764937207
Cond-005066	NPD513	NPD513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.5818172818	COC(=O)c1ccc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)o1	InChI=1S/C25H22O6/c1-15-19-10-12-21(29-14-18-9-11-22(30-18)25(27)28-3)16(2)23(19)31-24(26)20(15)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3	C25H22O6	418.439	6	0	74.97	4	7	1	1.4403	4.77361000000001	3.55	6.605	49.7141	119.858	3.0759	382.570554038835
Cond-005067	NPD5134	NPD5134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	NA	[C@@H]12CCC3C4C[C@@H](Br)[C@](O)(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C23H35BrO4/c1-13(25)23(27)20(24)12-19-17-6-5-15-11-16(28-14(2)26)7-9-21(15,3)18(17)8-10-22(19,23)4/h15-20,27H,5-12H2,1-4H3/t15-,16?,17?,18?,19?,20+,21-,22-,23+/m0/s1	C23H35BrO4	455.426	4	1	63.6	4	3	1	0.686099999999998	4.88819000000001	3.44	5.666	106.647	114.2528	3.2387	406.109878670747
Cond-005068	NPD5136	NPD5136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.6823210492	[C@@H]1(CCC2C3CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]12C)NC=O	InChI=1S/C20H33NO2/c1-19-9-7-14(23)11-13(19)3-4-15-16-5-6-18(21-12-22)20(16,2)10-8-17(15)19/h12-18,23H,3-11H2,1-2H3,(H,21,22)/t13-,14?,15?,16?,17?,18-,19-,20-/m0/s1	C20H33NO2	319.482	3	2	49.33	4	2	0	-0.574400000000002	3.73849	3.33	4.88	84.9639	93.9645000000001	2.6664	330.991071323424
Cond-005069	NPD5137	NPD5137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.2007228857	[C@@H]12CCC3C4CC/C(=N/NC(=S)N)/[C@@]4(C)CCC3[C@@]1(C)CC/C(=N/NC(=S)N)/C2	InChI=1S/C21H34N6S2/c1-20-9-7-13(24-26-18(22)28)11-12(20)3-4-14-15-5-6-17(25-27-19(23)29)21(15,2)10-8-16(14)20/h12,14-16H,3-11H2,1-2H3,(H3,22,26,28)(H3,23,27,29)/b24-13-,25-17-/t12-,14?,15?,16?,20-,21-/m0/s1	C21H34N6S2	434.665	6	6	165	4	4	1	1.4468	3.30519	2.89	5.125	119.2554	127.2542	3.3869	414.799075601803
Cond-005070	NPD5138	NPD5138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6465919359	[C@@H]12CCC3C4CC/C(=N/NC(=O)c5ccncc5)/[C@@]4(C)CCC3[C@@]1(C)CC/C(=N/NC(=O)c1ccncc1)/C2	InChI=1S/C31H38N6O2/c1-30-13-7-23(34-36-28(38)20-9-15-32-16-10-20)19-22(30)3-4-24-25-5-6-27(31(25,2)14-8-26(24)30)35-37-29(39)21-11-17-33-18-12-21/h9-12,15-18,22,24-26H,3-8,13-14,19H2,1-2H3,(H,36,38)(H,37,39)/b34-23-,35-27-/t22-,24?,25?,26?,30-,31-/m0/s1	C31H38N6O2	526.672	8	2	108.7	6	6	1	-0.3656	5.25718000000001	3.99	6.443	98.2714	153.8399	4.1111	505.989657539992
Cond-005071	NPD5139	NPD5139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9201162478	[C@@H]12CCC3C4CC/C(=N\NC(=O)N)/[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C20H33N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h12-16,24H,3-11H2,1-2H3,(H3,21,23,25)/b22-17+/t12-,13?,14?,15?,16?,19-,20-/m0/s1	C20H33N3O2	347.495	5	4	87.71	4	2	0	-0.230799999999999	2.90998	3.11	3.981	90.9554	101.5569	2.823	350.348133038958
Cond-005072	NPD514	NPD514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2985456829	CCOC(=O)c1c(NC(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c([nH]1)ccc(OC)c2	InChI=1S/C25H28N4O5/c1-3-34-25(32)24-23(18-10-17(33-2)7-8-19(18)26-24)27-21(30)14-28-11-15-9-16(13-28)20-5-4-6-22(31)29(20)12-15/h4-8,10,15-16,26H,3,9,11-14H2,1-2H3,(H,27,30)/t15-,16+/m0/s1	C25H28N4O5	464.514	9	2	103.97	5	8	0	-1.8017	2.26976	3.22	1.289	93.7384	130.3647	3.3938	421.583826871741
Cond-005073	NPD5140	NPD5140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.4636481305	[C@@H]12CCC3C4CC/C(=N/OC(=O)C)/[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C23H35NO4/c1-14(25)27-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(24-28-15(2)26)23(19,4)12-10-20(18)22/h16-20H,5-13H2,1-4H3/b24-21-/t16-,17?,18?,19?,20?,22-,23-/m0/s1	C23H35NO4	389.528	5	0	64.96	4	4	1	0.694800000000005	5.26348000000001	3.44	5.748	101.8804	111.883	3.1205	395.186561200547
Cond-005074	NPD5141	NPD5141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.2140816177	COC(=C(CO)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C)OC	InChI=1S/C24H36O5/c1-22-9-7-15(26)11-14(22)5-6-16-17(22)8-10-23(2)18(16)12-20-24(23,29-20)19(13-25)21(27-3)28-4/h5,15-18,20,25-26H,6-13H2,1-4H3/t15?,16?,17?,18?,20-,22+,23+,24-/m1/s1	C24H36O5	404.54	5	2	71.45	5	4	0	-0.356200000000001	3.40668000000001	3.55	3.203	108.8993	108.2866	3.1547	400.556012318808
Cond-005075	NPD5142	NPD5142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.5298556671	[C@@H]12CCC3C4CCC(NC(=O)CN5CCOCC5)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C25H42N2O3/c1-24-9-7-18(28)15-17(24)3-4-19-20-5-6-22(25(20,2)10-8-21(19)24)26-23(29)16-27-11-13-30-14-12-27/h17-22,28H,3-16H2,1-2H3,(H,26,29)/t17-,18?,19?,20?,21?,22?,24-,25-/m0/s1	C25H42N2O3	418.613	5	2	61.8	5	4	0	-0.801799999999998	3.44089000000001	3.66	4.241	111.5394	120.1665	3.4208	424.901522660686
Cond-005076	NPD5143	NPD5143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.586978289	COc1ccc(Cn2c(=O)n(C)c3c(n(C)cn3)c2=O)cc1	InChI=1S/C15H16N4O3/c1-17-9-16-13-12(17)14(20)19(15(21)18(13)2)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3	C15H16N4O3	300.313	7	0	67.67	3	3	0	-0.5736	1.67498	2.34	1.206	41.2035	83.181	2.1706	261.029362015151
Cond-005077	NPD5144	NPD5144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.4103841551	ClC1=C(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)c2c(cccc2)C1=O	InChI=1S/C21H17ClN2O3/c22-18-19(21(27)15-5-2-1-4-14(15)20(18)26)23-9-12-8-13(11-23)16-6-3-7-17(25)24(16)10-12/h1-7,12-13H,8-11H2/t12-,13+/m0/s1	C21H17ClN2O3	380.824	5	0	57.69	5	1	0	-0.8924	2.76246	3.11	3.116	79.8914	102.521	2.6356	338.936982321252
Cond-005078	NPD5145	NPD5145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8923974894	COc1cc(CC=C)ccc1OC(=O)c1c(O)c2c(cc1)C(=O)c1c(cccc1)C2=O	InChI=1S/C25H18O6/c1-3-6-14-9-12-19(20(13-14)30-2)31-25(29)18-11-10-17-21(24(18)28)23(27)16-8-5-4-7-15(16)22(17)26/h3-5,7-13,28H,1,6H2,2H3	C25H18O6	414.407	6	1	89.9	4	6	1	-0.1021	4.51927	3.55	6.213	41.7659	118.0798	2.9899	377.297636637235
Cond-005079	NPD5146	NPD5146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.3610276699	COc1cc2c(cc1)C1CC[C@]3(C)C(CCC3C1CC2)OC(=O)CCN1CCOCC1	InChI=1S/C26H37NO4/c1-26-11-9-21-20-6-4-19(29-2)17-18(20)3-5-22(21)23(26)7-8-24(26)31-25(28)10-12-27-13-15-30-16-14-27/h4,6,17,21-24H,3,5,7-16H2,1-2H3/t21?,22?,23?,24?,26-/m0/s1	C26H37NO4	427.576	5	0	48	5	6	1	0.259700000000004	4.41929000000001	3.77	5.188	93.7017	122.61	3.3916	421.181597676547
Cond-005080	NPD5148	NPD5148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4779348914	COc1ccc(NC(=O)C2N(Cc3ccccc3)C(=O)c3c(OC)c(OC)ccc23)cc1	InChI=1S/C25H24N2O5/c1-30-18-11-9-17(10-12-18)26-24(28)22-19-13-14-20(31-2)23(32-3)21(19)25(29)27(22)15-16-7-5-4-6-8-16/h4-14,22H,15H2,1-3H3,(H,26,28)	C25H24N2O5	432.468	7	1	77.1	4	8	0	-1.5705	3.99079	3.44	4.627	44.8654	122.2227	3.2168	395.773847754608
Cond-005081	NPD5149	NPD5149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3262265856	CCOC(=O)c1ccc(cc1)n1nnnc1C1N(C)CCc2c1c(OC)c1OCOc1c2	InChI=1S/C22H23N5O5/c1-4-30-22(28)13-5-7-15(8-6-13)27-21(23-24-25-27)18-17-14(9-10-26(18)2)11-16-19(20(17)29-3)32-12-31-16/h5-8,11,18H,4,9-10,12H2,1-3H3	C22H23N5O5	437.449	10	0	100.31	5	6	0	0.2526	3.30458	2.78	2.749	55.1247	119.858	3.0709	369.792633202308
Cond-005082	NPD515	NPD515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.2984555793	CCOc1ccc(CC2(CN3C[C@H]4CC(C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2ccc(OC)cc2)cc1	InChI=1S/C32H34N4O6/c1-3-42-26-11-7-21(8-12-26)16-32(20-34-17-22-15-23(19-34)27-5-4-6-28(37)35(27)18-22)29(38)33-31(40)36(30(32)39)24-9-13-25(41-2)14-10-24/h4-14,22-23H,3,15-20H2,1-2H3,(H,33,38,40)/t22-,23?,32?/m1/s1	C32H34N4O6	570.636	10	1	108.49	6	8	0	-1.3844	3.75316000000001	3.88	3.08	105.5216	157.8667	4.2012	531.180111150169
Cond-005083	NPD5150	NPD5150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.2536693775	COc1c2OCOc2cc2c1C([NH+](C)CC2)/C(=N/c1ccccc1C)/[S-]	InChI=1S/C20H22N2O3S/c1-12-6-4-5-7-14(12)21-20(26)17-16-13(8-9-22(17)2)10-15-18(19(16)23-3)25-11-24-15/h4-7,10,17H,8-9,11H2,1-3H3,(H,21,26)	C20H22N2O3S	370.465	5	1	44.49	4	3	0	-0.9093	2.1279	3	2.978	44.6721	105.7247	2.7304	331.668330084952
Cond-005084	NPD5151	NPD5151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7498717855	COc1c2OCOc2cc2c1C(c1nnnn1C(c1ccccc1)c1ccccc1)[N+](C)(C)CC2	InChI=1S/C27H28N5O3/c1-32(2)15-14-20-16-21-25(35-17-34-21)26(33-3)22(20)24(32)27-28-29-30-31(27)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,23-24H,14-15,17H2,1-3H3/q+1	C27H28N5O3+	470.543	8	0	71.29	6	5	1	-1.4142	5.35489000000001	3.55	6.098	45.0391	133.0244	3.4849	411.480956178519
Cond-005085	NPD5152	NPD5152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0064473588	CCC(=O)OCC(C)CCC1=C(C)C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CC)O1	InChI=1S/C33H50O5/c1-7-29(34)36-19-20(3)9-12-27-21(4)31-28(38-27)18-26-24-11-10-22-17-23(37-30(35)8-2)13-15-32(22,5)25(24)14-16-33(26,31)6/h10,20,23-26,28,31H,7-9,11-19H2,1-6H3/t20?,23?,24?,25?,26?,28?,31?,32-,33-/m0/s1	C33H50O5	526.747	5	0	61.83	5	10	1	1.6425	7.62567000000001	4.54	7.039	148.3223	150.671	4.3368	550.946956550008
Cond-005086	NPD5153	NPD5153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.6879136445	CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)c2ccccc2)O1)CNC(=O)C	InChI=1S/C36H49NO4/c1-22(21-37-24(3)38)11-14-31-23(2)33-32(41-31)20-30-28-13-12-26-19-27(40-34(39)25-9-7-6-8-10-25)15-17-35(26,4)29(28)16-18-36(30,33)5/h6-10,12,22,27-30,32-33H,11,13-21H2,1-5H3,(H,37,38)/t22?,27?,28?,29?,30?,32?,33?,35-,36-/m0/s1	C36H49NO4	559.779	5	1	64.63	6	9	1	0.936500000000001	7.44687000000001	4.87	8.748	134.0007	163.3577	4.563	573.875609132013
Cond-005087	NPD5154	NPD5154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.8918846314	[C@@H]12CCC3C4CC(OC(=O)CCC(C)COC(=O)C)C(NC(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C31H49NO7/c1-18(17-37-20(3)34)7-10-28(36)39-27-16-26-24-9-8-22-15-23(38-21(4)35)11-13-30(22,5)25(24)12-14-31(26,6)29(27)32-19(2)33/h18,22-27,29H,7-17H2,1-6H3,(H,32,33)/t18?,22-,23?,24?,25?,26?,27?,29?,30-,31-/m0/s1	C31H49NO7	547.723	8	1	108	4	12	2	0.384200000000004	5.20049000000001	3.99	6.44	138.93	148.4227	4.3808	557.288659608363
Cond-005088	NPD5155	NPD5155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5483185581	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCC	InChI=1S/C31H50O4/c1-6-7-27(32)34-22-11-13-29(4)21(16-22)8-9-23-24(29)12-14-30(5)25(23)17-26-28(30)20(3)31(35-26)15-10-19(2)18-33-31/h19-26,28H,6-18H2,1-5H3/t19?,20-,21-,22?,23?,24?,25?,26?,28?,29-,30-,31+/m0/s1	C31H50O4	486.726	4	0	44.76	6	4	1	0.508100000000003	7.37869000000001	4.43	8.868	128.6029	139.749	4.0167	503.117677999314
Cond-005089	NPD5156	NPD5156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8892226537	[C@@H]12CCC3C4CC5OC6(CCC(C)CO6)C(C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCCCC	InChI=1S/C33H54O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h21-28,30H,6-20H2,1-5H3/t21?,22?,23-,24?,25?,26?,27?,28?,30?,31-,32-,33?/m0/s1	C33H54O4	514.779	4	0	44.76	6	6	1	-0.0678999999999988	8.15889000000001	4.65	10.006	134.4261	148.983	4.2985	537.709647251047
Cond-005090	NPD5157	NPD5157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8856326471	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)c1ccccc1	InChI=1S/C34H48O4/c1-21-12-17-34(36-20-21)22(2)30-29(38-34)19-28-26-11-10-24-18-25(37-31(35)23-8-6-5-7-9-23)13-15-32(24,3)27(26)14-16-33(28,30)4/h5-9,21-22,24-30H,10-20H2,1-4H3/t21?,22-,24-,25?,26?,27?,28?,29?,30?,32-,33-,34+/m0/s1	C34H48O4	520.743	4	0	44.76	7	3	1	0.709999999999999	7.62689000000001	4.76	10.792	115.2434	150.385	4.2018	523.839797073714
Cond-005091	NPD5158	NPD5158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1936405597	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCC(=O)O	InChI=1S/C31H48O6/c1-18-9-14-31(35-17-18)19(2)28-25(37-31)16-24-22-6-5-20-15-21(36-27(34)8-7-26(32)33)10-12-29(20,3)23(22)11-13-30(24,28)4/h18-25,28H,5-17H2,1-4H3,(H,32,33)/t18?,19-,20-,21?,22?,23?,24?,25?,28?,29-,30-,31+/m0/s1	C31H48O6	516.709	6	1	82.06	6	5	1	0.539799999999996	6.44339000000001	4.21	7.416	131.5611	141.7108	4.0911	518.061672699636
Cond-005092	NPD516	NPD516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.970781449	COc1cc(cc(OC)c1OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C21H22N2O5/c1-26-16-8-11(9-17(27-2)20(16)28-3)18-19-13(10-15(23-18)21(24)25)12-6-4-5-7-14(12)22-19/h4-9,15,18,22-23H,10H2,1-3H3,(H,24,25)	C21H22N2O5	382.41	7	3	92.81	4	5	0	-1.3811	2.68138	3	2.44	47.3528	107.5145	2.7822	334.499285353541
Cond-005093	NPD5160	NPD5160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1350282072	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)C(=O)CC3[C@@]1(C)CCC(C2)OC(=O)c1ccccc1	InChI=1S/C34H46O5/c1-20-12-15-34(37-19-20)21(2)30-28(39-34)17-27-25-11-10-23-16-24(38-31(36)22-8-6-5-7-9-22)13-14-32(23,3)26(25)18-29(35)33(27,30)4/h5-9,20-21,23-28,30H,10-19H2,1-4H3/t20?,21-,23-,24?,25?,26?,27?,28?,30?,32-,33+,34+/m0/s1	C34H46O5	534.726	5	0	61.83	7	3	1	0.162999999999994	6.80589000000001	4.65	8.311	115.8214	150.775	4.2175	529.993565073474
Cond-005094	NPD5161	NPD5161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.2848071898	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)C(=O)CC3[C@@]1(C)CCC(C2)OC(=O)CCC(=O)O	InChI=1S/C31H46O7/c1-17-9-12-31(36-16-17)18(2)28-24(38-31)14-23-21-6-5-19-13-20(37-27(35)8-7-26(33)34)10-11-29(19,3)22(21)15-25(32)30(23,28)4/h17-24,28H,5-16H2,1-4H3,(H,33,34)/t17?,18-,19-,20?,21?,22?,23?,24?,28?,29-,30+,31+/m0/s1	C31H46O7	530.693	7	1	99.13	6	5	0	-0.00719999999999869	5.62239000000001	4.1	4.935	132.1391	142.1008	4.1068	524.215440699397
Cond-005095	NPD5162	NPD5162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4717561726	CC1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)c2ccccc2)OC21CCC(C)CN2C(=O)C	InChI=1S/C36H49NO4/c1-22-13-18-36(37(21-22)24(3)38)23(2)32-31(41-36)20-30-28-12-11-26-19-27(40-33(39)25-9-7-6-8-10-25)14-16-34(26,4)29(28)15-17-35(30,32)5/h6-11,22-23,27-32H,12-21H2,1-5H3/t22?,23?,27?,28?,29?,30?,31?,32?,34-,35-,36?/m0/s1	C36H49NO4	559.779	5	0	55.84	7	4	1	0.175499999999998	7.30508000000001	4.87	9.359	129.1613	161.526	4.4974	564.155609132013
Cond-005096	NPD5163	NPD5163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.4208122695	[C@@H]12CCC3C4CC5OC(=C(C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)c1ccccc1)CCC(C)COC(=O)C	InChI=1S/C36H50O5/c1-22(21-39-24(3)37)11-14-31-23(2)33-32(41-31)20-30-28-13-12-26-19-27(40-34(38)25-9-7-6-8-10-25)15-17-35(26,4)29(28)16-18-36(30,33)5/h6-10,22,26-30,32-33H,11-21H2,1-5H3/t22?,26-,27?,28?,29?,30?,32?,33?,35-,36-/m0/s1	C36H50O5	562.779	5	0	61.83	6	9	1	1.5439	8.02758000000001	4.87	10.544	130.1798	161.601	4.5649	574.305534325207
Cond-005097	NPD5164	NPD5164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.0047622536	[C@@H]12CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](Cl)C2	InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18-,19-/m0/s1	C19H29ClO	308.886	1	0	17.07	4	0	1	1.4433	5.43949	3.33	5.611	82.8067	89.6180000000001	2.4894	309.119167559263
Cond-005098	NPD5165	NPD5165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7590543874	[C@@H]12CCC3C4C[C@H]5O[C@@]5(OC(=O)C)[C@@]4(C)CCC3[C@@]1(C)C[C@H]1O[C@H]1C2	InChI=1S/C21H30O4/c1-11(22)24-21-18(25-21)9-15-13-5-4-12-8-16-17(23-16)10-19(12,2)14(13)6-7-20(15,21)3/h12-18H,4-10H2,1-3H3/t12-,13?,14?,15?,16-,17+,18+,19-,20-,21+/m0/s1	C21H30O4	346.46	4	0	51.36	6	2	0	0.7458	3.90839	3.33	4.834	88.435	93.7670000000001	2.6077	330.157831740647
Cond-005099	NPD5166	NPD5166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.7597137763	[C@@H]12CCC3C4CC(N5CCCCC5)C(=O)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C26H41NO3/c1-17(28)30-19-9-11-25(2)18(15-19)7-8-20-21(25)10-12-26(3)22(20)16-23(24(26)29)27-13-5-4-6-14-27/h18-23H,4-16H2,1-3H3/t18-,19?,20?,21?,22?,23?,25-,26-/m0/s1	C26H41NO3	415.609	4	0	46.61	5	3	1	-0.401699999999996	5.22819000000001	3.88	5.702	108.738	120.126	3.4189	428.564288377586
Cond-005100	NPD5167	NPD5167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.6176032432	COC1([C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C)/C(=N/O)/C	InChI=1S/C24H37NO5/c1-14(25-28)24(29-5)21(27)13-20-18-7-6-16-12-17(30-15(2)26)8-10-22(16,3)19(18)9-11-23(20,24)4/h6,17-21,27-28H,7-13H2,1-5H3/b25-14+/t17?,18?,19?,20?,21-,22+,23+,24?/m1/s1	C24H37NO5	419.554	6	2	88.35	4	4	0	-0.276300000000003	4.24708000000001	3.44	3.514	111.5697	116.2553	3.3201	421.272772526975
Cond-005101	NPD5168	NPD5168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9426575818	COc1cc2c(CCN([C@H]2C)/C(=C\2/C3C(CC2=O)C3(C)C)/C)cc1O	InChI=1S/C21H27NO3/c1-11-14-9-18(25-5)16(23)8-13(14)6-7-22(11)12(2)19-17(24)10-15-20(19)21(15,3)4/h8-9,11,15,20,23H,6-7,10H2,1-5H3/b19-12+/t11-,15?,20?/m0/s1	C21H27NO3	341.444	4	1	49.77	4	2	0	0.6835	3.65788000000001	3.33	3.479	76.2148	98.7638000000001	2.694	335.631447846652
Cond-005102	NPD5169	NPD5169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0295748162	C/C(=C/1\C2C(CC1=O)C2(C)C)/N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H26N2O2/c1-12(19-17(24)8-15-20(19)21(15,2)3)22-9-13-7-14(11-22)16-5-4-6-18(25)23(16)10-13/h4-6,13-15,20H,7-11H2,1-3H3/b19-12+/t13-,14-,15?,20?/m0/s1	C21H26N2O2	338.443	4	0	40.62	5	1	0	0.159799999999999	2.75186	3.33	2.239	99.8127	97.6240000000001	2.6265	336.381522653458
Cond-005103	NPD517	NPD517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4782173842	CCOc1cc(c/c(=N\c2ccc(OC)cc2)/c2c(C)oc(C)c12)c1ccc(OC)cc1	InChI=1S/C27H27NO4/c1-6-31-25-16-20(19-7-11-22(29-4)12-8-19)15-24(26-17(2)32-18(3)27(25)26)28-21-9-13-23(30-5)14-10-21/h7-16H,6H2,1-5H3/b28-24+	C27H27NO4	429.508	5	0	53.19	4	6	1	0.900799999999999	5.51602000000001	3.88	6.361	64.5981	127.139	3.3401	410.578830097614
Cond-005104	NPD5170	NPD5170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1939580433	CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CC2(C)CC1CC(C)(C)C2	InChI=1S/C18H27Cl2NO/c1-16(2)7-11-8-18(5,9-16)10-21(11)15(22)14-12(6-13(19)20)17(14,3)4/h6,11-12,14H,7-10H2,1-5H3	C18H27Cl2NO	344.319	2	0	20.31	3	3	1	3.1807	5.16488	3	5.34	93.2887	94.763	2.6363	327.751010911996
Cond-005105	NPD5172	NPD5172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.7811805505	[C@@H]1(CNC2=CC(=O)CCC2)[C@H](CC(C)C)C1(C)C	InChI=1S/C16H27NO/c1-11(2)8-14-15(16(14,3)4)10-17-12-6-5-7-13(18)9-12/h9,11,14-15,17H,5-8,10H2,1-4H3/t14-,15+/m0/s1	C16H27NO	249.392	2	1	29.1	2	5	0	0.453199999999998	3.69128	3	4.239	73.9756	78.1327000000001	2.2183	275.093364820195
Cond-005106	NPD5173	NPD5173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6326470804	[C@@H]1(CN/C(=C/C(=O)C)/C)[C@H](CC(C)(C)O)C1(C)C	InChI=1S/C15H27NO2/c1-10(7-11(2)17)16-9-13-12(15(13,5)6)8-14(3,4)18/h7,12-13,16,18H,8-9H2,1-6H3/b10-7+/t12-,13+/m0/s1	C15H27NO2	253.38	3	2	49.33	1	6	0	0.461099999999998	2.66208	2.78	2.677	75.2847	77.0895000000001	2.2447	278.94406559569
Cond-005107	NPD5174	NPD5174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.2640974919	[C@@H]12Cc3c(c(C)nn3C(=S)NC3CCCCC3)[C@@H]1C2(C)C	InChI=1S/C17H25N3S/c1-10-14-13(9-12-15(14)17(12,2)3)20(19-10)16(21)18-11-7-5-4-6-8-11/h11-12,15H,4-9H2,1-3H3,(H,18,21)/t12-,15-/m1/s1	C17H25N3S	303.466	3	1	59.72	4	3	0	-0.5485	4.14128	2.89	4.071	82.1304	91.0927	2.4034	296.752291117035
Cond-005108	NPD5175	NPD5175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.4613036364	[C@@H]12Cc3c(c(C)nn3C(=S)NCC)[C@@H]1C2(C)C	InChI=1S/C13H19N3S/c1-5-14-12(17)16-9-6-8-11(13(8,3)4)10(9)7(2)15-16/h8,11H,5-6H2,1-4H3,(H,14,17)/t8-,11-/m1/s1	C13H19N3S	249.375	3	1	59.72	3	3	0	1.2946	2.82848	2.45	2.666	74.165	74.7607	1.9484	239.924811314367
Cond-005109	NPD5176	NPD5176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.2198451657	[C@@H]12Cc3c(c(C)nn3C(=S)NCc3ccccc3)[C@@H]1C2(C)C	InChI=1S/C18H21N3S/c1-11-15-14(9-13-16(15)18(13,2)3)21(20-11)17(22)19-10-12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,19,22)/t13-,16-/m1/s1	C18H21N3S	311.444	3	1	59.72	4	4	1	0.953500000000001	3.66928	3	5.151	68.8867	93.6097	2.4153	295.238899640501
Cond-005110	NPD5177	NPD5177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.3590250812	[C@@H]12Cc3c(c(C)nn3C(=S)NC)[C@@H]1C2(C)C	InChI=1S/C12H17N3S/c1-6-9-8(15(14-6)11(16)13-4)5-7-10(9)12(7,2)3/h7,10H,5H2,1-4H3,(H,13,16)/t7-,10-/m1/s1	C12H17N3S	235.348	3	1	59.72	3	2	0	1.0442	2.43838	2.34	2.243	69.8712	70.1437	1.8075	222.6288266885
Cond-005111	NPD5178	NPD5178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9123501111	[C@@H]12CC3(O)C(C(=NN3C(=S)NCC)C)[C@@H]1C2(C)C	InChI=1S/C13H21N3OS/c1-5-14-11(18)16-13(17)6-8-10(12(8,3)4)9(13)7(2)15-16/h8-10,17H,5-6H2,1-4H3,(H,14,18)/t8-,9?,10-,13?/m1/s1	C13H21N3OS	267.39	4	2	79.95	3	3	0	0.948	1.95299	2.34	2.785	73.8674	76.4445	2.0501	251.351496715728
Cond-005112	NPD5179	NPD5179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.164651867	[C@@H]12CC3(O)C(C(=NN3C(=S)NCc3ccccc3)C)[C@@H]1C2(C)C	InChI=1S/C18H23N3OS/c1-11-14-15-13(17(15,2)3)9-18(14,22)21(20-11)16(23)19-10-12-7-5-4-6-8-12/h4-8,13-15,22H,9-10H2,1-3H3,(H,19,23)/t13-,14?,15-,18?/m1/s1	C18H23N3OS	329.46	4	2	79.95	4	4	1	0.6069	2.79379	2.89	5.27	68.5891	95.2935	2.517	306.665585041863
Cond-005113	NPD518	NPD518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8263845675	CC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C23H21NO6/c1-14(24-23(27)28-13-15-6-3-2-4-7-15)21(25)29-16-10-11-18-17-8-5-9-19(17)22(26)30-20(18)12-16/h2-4,6-7,10-12,14H,5,8-9,13H2,1H3,(H,24,27)	C23H21NO6	407.416	7	1	90.93	4	8	1	-0.447000000000001	3.52268	3.22	5.311	55.8307	111.8667	2.9369	372.511803696069
Cond-005114	NPD5180	NPD5180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	15.5127359758	[C@@H]12CC3(O)C(C(=NN3C(=S)Nc3ccc(F)cc3)C)[C@@H]1C2(C)C	InChI=1S/C17H20FN3OS/c1-9-13-14-12(16(14,2)3)8-17(13,22)21(20-9)15(23)19-11-6-4-10(18)5-7-11/h4-7,12-14,22H,8H2,1-3H3,(H,19,23)/t12-,13?,14-,17?/m1/s1	C17H20FN3OS	333.424	4	2	79.95	4	3	0	1.075	3.25578	2.67	4.224	64.7494	94.9255	2.3938	295.437159266302
Cond-005115	NPD5181	NPD5181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.3388282414	[C@@H]12Cc3c(c(C)nn3C(=O)c3ccco3)[C@@H]1C2(C)C	InChI=1S/C15H16N2O2/c1-8-12-10(7-9-13(12)15(9,2)3)17(16-8)14(18)11-5-4-6-19-11/h4-6,9,13H,7H2,1-3H3/t9-,13-/m1/s1	C15H16N2O2	256.3	4	0	48.03	4	2	0	0.591400000000001	3.3218	2.67	3.256	40.5804	73.389	1.8897	223.162073599056
Cond-005116	NPD5182	NPD5182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.1620631548	[C@@H]12CC(=O)/C(=C(/C)\NC(=O)c3ccc4ncccc4c3)/[C@@H]1C2(C)C	InChI=1S/C20H20N2O2/c1-11(17-16(23)10-14-18(17)20(14,2)3)22-19(24)13-6-7-15-12(9-13)5-4-8-21-15/h4-9,14,18H,10H2,1-3H3,(H,22,24)/b17-11+/t14-,18-/m1/s1	C20H20N2O2	320.385	4	1	59.06	4	3	0	0.2795	3.37818	3.22	3.802	52.4173	95.0457	2.4652	301.73262062599
Cond-005117	NPD5184	NPD5184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4352699831	[C@@H]12CC(=O)/C(=C(/C)\NC(=O)c3c(C)oc(=O)cc3C)/[C@@H]1C2(C)C	InChI=1S/C18H21NO4/c1-8-6-13(21)23-10(3)14(8)17(22)19-9(2)15-12(20)7-11-16(15)18(11,4)5/h6,11,16H,7H2,1-5H3,(H,19,22)/b15-9+/t11-,16-/m1/s1	C18H21NO4	315.364	5	1	72.47	3	3	0	1.2608	2.41116	2.89	2.327	87.3932	86.2097	2.3956	313.153720669612
Cond-005118	NPD5185	NPD5185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0572935746	COc1ccc2c(=O)/c(=C/c3ccc(cc3)N(C)C)/oc3cccc1c23	InChI=1S/C22H19NO3/c1-23(2)15-9-7-14(8-10-15)13-20-22(24)17-11-12-18(25-3)16-5-4-6-19(26-20)21(16)17/h4-13H,1-3H3/b20-13-	C22H19NO3	345.391	4	0	38.77	4	3	0	-0.2309	4.81707	3.44	4.976	38.2186	108.225	2.6199	317.945138968518
Cond-005119	NPD5186	NPD5186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5010623489	O=c1cccc2[C@@H]3C[C@@H](CN(C3)C3=Nc4cccc5c4c3ccc5)Cn12	InChI=1S/C22H19N3O/c26-20-9-3-8-19-16-10-14(12-25(19)20)11-24(13-16)22-17-6-1-4-15-5-2-7-18(23-22)21(15)17/h1-9,14,16H,10-13H2/t14-,16+/m0/s1	C22H19N3O	341.406	4	0	35.91	6	1	0	-1.2443	3.44946	3.44	4.271	60.6375	105.769	2.5279	311.18174728293
Cond-005120	NPD5187	NPD5187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6121083352	O=C1N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c(cccc2)C1=O	InChI=1S/C20H19N3O3/c24-18-7-3-6-16-14-8-13(10-22(16)18)9-21(11-14)12-23-17-5-2-1-4-15(17)19(25)20(23)26/h1-7,13-14H,8-12H2/t13-,14+/m0/s1	C20H19N3O3	349.383	6	0	60.93	5	2	0	-1.6476	2.02076	3	1.281	71.8583	98.3585	2.5151	320.063148833918
Cond-005121	NPD5188	NPD5188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.6468361541	Brc1cc2c(cc1)N(CN1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)C(=O)C2=O	InChI=1S/C20H18BrN3O3/c21-14-4-5-17-15(7-14)19(26)20(27)24(17)11-22-8-12-6-13(10-22)16-2-1-3-18(25)23(16)9-12/h1-5,7,12-13H,6,8-11H2/t12-,13-/m1/s1	C20H18BrN3O3	428.279	6	0	60.93	5	2	0	-0.758800000000001	2.78326	2.89	1.504	80.4574	106.0585	2.6901	339.346767811485
Cond-005122	NPD5189	NPD5189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1631621364	C/C(=N\OCC(=O)N/N=C\1/C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c1cccc2)/c1cccs1	InChI=1S/C28H28N6O4S/c1-18(24-9-5-11-39-24)31-38-16-25(35)29-30-27-21-6-2-3-7-23(21)34(28(27)37)17-32-13-19-12-20(15-32)22-8-4-10-26(36)33(22)14-19/h2-11,19-20H,12-17H2,1H3,(H,29,35)/b30-27+,31-18+/t19-,20-/m0/s1	C28H28N6O4S	544.625	10	1	135.15	6	8	0	-1.9852	3.31035	3.33	4.19	106.559	153.3477	3.8833	484.918263719514
Cond-005123	NPD519	NPD519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.136159996	CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)N/N=C/c1ccccc1	InChI=1S/C19H24N2O6/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(22)21-20-10-11-8-6-5-7-9-11/h5-10,12-15,17H,1-4H3,(H,21,22)/b20-10+/t12-,13+,14+,15-,17-/m1/s1	C19H24N2O6	376.404	8	1	87.61	4	4	0	-1.3704	1.66478	2.67	4.147	67.978	98.7597	2.6881	338.406918904769
Cond-005124	NPD5190	NPD5190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1047207366	[C@H]1(CCCN1C)c1cccnc1n1c(=O)c2c(cccc2)nc1c1ccc(OC)cc1	InChI=1S/C25H24N4O2/c1-28-16-6-10-22(28)20-8-5-15-26-24(20)29-23(17-11-13-18(31-2)14-12-17)27-21-9-4-3-7-19(21)25(29)30/h3-5,7-9,11-15,22H,6,10,16H2,1-2H3/t22-/m0/s1	C25H24N4O2	412.484	6	0	58.03	5	4	1	-1.1512	4.70238000000001	3.55	5.149	43.4839	125.033	3.1317	379.040229368458
Cond-005125	NPD5191	NPD5191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.9555034557	COc1ccc(cc1OC)C1=C(/C=N/CCc2c[nH]c3c2cccc3)C(c2ccccc2)c2c(O1)cccc2	InChI=1S/C34H30N2O3/c1-37-31-17-16-24(20-32(31)38-2)34-28(22-35-19-18-25-21-36-29-14-8-6-12-26(25)29)33(23-10-4-3-5-11-23)27-13-7-9-15-30(27)39-34/h3-17,20-22,33,36H,18-19H2,1-2H3/b35-22+	C34H30N2O3	514.614	5	1	55.84	6	8	1	-0.7779	7.61127	4.65	9.677	48.1526	159.809	3.97830000000001	476.798503781486
Cond-005126	NPD5192	NPD5192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4085525191	CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)N=C=O	InChI=1S/C30H45NO2/c1-19(2)20-10-15-30(31-18-32)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(33)26(3,4)22(27)11-14-29(23,28)7/h20-23,25H,1,8-17H2,2-7H3/t20-,21?,22?,23?,25?,27-,28+,29+,30?/m0/s1	C30H45NO2	451.684	3	0	46.5	5	2	1	3.0921	7.06799000000001	4.43	9.902	131.6465	136.446	3.8378	483.685082778892
Cond-005127	NPD5193	NPD5193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.436857401	CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CC/C(=N\O)/C(C)(C)C5CC[C@@]34C)C12)/C=N/O	InChI=1S/C30H48N2O2/c1-19(2)20-10-15-30(18-31-33)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32-34)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25,33-34H,1,8-17H2,2-7H3/b31-18+,32-24+/t20-,21?,22?,23?,25?,27-,28+,29+,30?/m0/s1	C30H48N2O2	468.714	4	2	65.18	5	2	1	3.0504	8.23098000000001	4.32	9.7	138.9202	140.6182	3.9806	497.318301687859
Cond-005128	NPD5194	NPD5194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7016142819	CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(OC(=O)c5ccccc5C(=O)O)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3	InChI=1S/C38H54O5/c1-33(2)18-20-38-21-19-36(6)25(29(38)30(33)42-22-38)12-13-27-35(5)16-15-28(34(3,4)26(35)14-17-37(27,36)7)43-32(41)24-11-9-8-10-23(24)31(39)40/h8-11,25-30H,12-22H2,1-7H3,(H,39,40)/t25?,26?,27?,28?,29?,30?,35-,36+,37+,38?/m0/s1	C38H54O5	590.832	5	1	72.83	7	4	1	2.2238	8.76889	5.09	11.862	141.0404	169.8123	4.78110000000001	599.17750357694
Cond-005129	NPD5196	NPD5196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3678901995	CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)/C=N/O	InChI=1S/C30H49NO2/c1-19(2)20-10-15-30(18-31-33)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32-33H,1,8-17H2,2-7H3/b31-18+/t20-,21?,22?,23?,24?,25?,27-,28+,29+,30?/m0/s1	C30H49NO2	455.716	3	2	52.82	5	2	1	2.4388	7.76168000000001	4.43	10.064	134.3642	137.4035	3.9238	488.958000180492
Cond-005130	NPD5197	NPD5197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4532200161	CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(OC(=O)/C=C/c5ccccc5)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3	InChI=1S/C39H56O3/c1-34(2)21-23-39-24-22-37(6)27(32(39)33(34)41-25-39)14-15-29-36(5)19-18-30(35(3,4)28(36)17-20-38(29,37)7)42-31(40)16-13-26-11-9-8-10-12-26/h8-13,16,27-30,32-33H,14-15,17-25H2,1-7H3/b16-13+/t27?,28?,29?,30?,32?,33?,36-,37+,38+,39?/m0/s1	C39H56O3	572.86	3	0	35.53	7	4	1	2.8247	9.55308	5.42	14.074	144.0646	171.723	4.8046	598.893034801684
Cond-005131	NPD5198	NPD5198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6424158058	COc1cc2c(CCN([C@H]2C)C(=O)CSc2nnc(C)s2)cc1O	InChI=1S/C16H19N3O3S2/c1-9-12-7-14(22-3)13(20)6-11(12)4-5-19(9)15(21)8-23-16-18-17-10(2)24-16/h6-7,9,20H,4-5,8H2,1-3H3/t9-/m0/s1	C16H19N3O3S2	365.47	6	1	129.09	3	5	0	0.151900000000001	2.3041	2.34	1.72	61.8302	92.1878000000001	2.5817	306.983093248851
Cond-005132	NPD5199	NPD5199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.645004518	COc1cc2c(CCN([C@H]2C)C(=O)CSc2nncn2C)cc1O	InChI=1S/C16H20N4O3S/c1-10-12-7-14(23-3)13(21)6-11(12)4-5-20(10)15(22)8-24-16-18-17-9-19(16)2/h6-7,9-10,21H,4-5,8H2,1-3H3/t10-/m0/s1	C16H20N4O3S	348.42	7	1	105.78	3	5	0	-0.3745	1.49837	2.34	1.13	56.7327	89.3758000000001	2.518	299.470829399418
Cond-005133	NPD520	NPD520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.1988876198	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(=O)C)C3CCC2=C1	InChI=1S/C35H45N3O6/c1-21(39)35(42)16-13-28-26-10-9-23-18-24(11-14-33(23,2)27(26)12-15-34(28,35)3)38-44-20-31(40)37-30(32(41)43-4)17-22-19-36-29-8-6-5-7-25(22)29/h5-8,18-19,26-28,30,36,42H,9-17,20H2,1-4H3,(H,37,40)/b38-24+/t26?,27?,28?,30?,33-,34-,35-/m0/s1	C35H45N3O6	603.748	9	3	130.08	6	10	1	-1.0197	5.25676000000001	4.32	5.138	131.5101	173.2745	4.6531	579.980680922001
Cond-005134	NPD5200	NPD5200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8224289936	COc1cc2c(CCN([C@H]2C)C(=O)CN2CCOCC2)cc1O	InChI=1S/C17H24N2O4/c1-12-14-10-16(22-2)15(20)9-13(14)3-4-19(12)17(21)11-18-5-7-23-8-6-18/h9-10,12,20H,3-8,11H2,1-2H3/t12-/m0/s1	C17H24N2O4	320.383	6	1	62.24	3	4	0	-1.1751	1.07149	2.67	0.142	63.7104	88.2148000000001	2.4405	301.227413653512
Cond-005135	NPD5201	NPD5201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2398954746	COc1ccccc1OC(C)C(O)c1ccc(O)c(OC)c1	InChI=1S/C17H20O5/c1-11(22-15-7-5-4-6-14(15)20-2)17(19)12-8-9-13(18)16(10-12)21-3/h4-11,17-19H,1-3H3	C17H20O5	304.338	5	2	68.15	2	6	0	-1.2278	3.44058	2.78	2.564	34.0744	86.4048000000001	2.3222	284.20766123694
Cond-005136	NPD5202	NPD5202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1226707695	CCC(=O)c1cc(OC)c(O)c(c1)c1cc(cc(OC)c1O)C(=O)CC	InChI=1S/C20H22O6/c1-5-15(21)11-7-13(19(23)17(9-11)25-3)14-8-12(16(22)6-2)10-18(26-4)20(14)24/h7-10,23-24H,5-6H2,1-4H3	C20H22O6	358.385	6	2	93.06	2	7	0	-1.3796	4.35478	3	1.456	51.3486	103.8793	2.7176	339.612924413502
Cond-005137	NPD5203	NPD5203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.005763548	COc1cc(C=O)cc(c1OC)c1cc(C=O)cc(OC)c1OC	InChI=1S/C18H18O6/c1-21-15-7-11(9-19)5-13(17(15)23-3)14-6-12(10-20)8-16(22-2)18(14)24-4/h5-10H,1-4H3	C18H18O6	330.332	6	0	71.06	2	7	0	-0.592000000000001	3.53058	2.78	2.286	41.851	94.8275000000001	2.4358	305.020955161768
Cond-005138	NPD5204	NPD5204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	44.3402447066	COc1cc(C=O)cc(c1O)c1cc(C=O)cc(OC)c1OC	InChI=1S/C17H16O6/c1-21-14-6-10(8-18)4-12(16(14)20)13-5-11(9-19)7-15(22-2)17(13)23-3/h4-9,20H,1-3H3	C17H16O6	316.305	6	1	82.06	2	6	0	-1.0005	3.09738	2.67	1.767	37.0998	90.2985	2.2949	287.724970535901
Cond-005139	NPD5205	NPD5205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7077930007	COc1ccccc1OC(CO)C(=O)c1ccc(OC)c(OC)c1	InChI=1S/C18H20O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17,19H,11H2,1-3H3	C18H20O6	332.348	6	1	74.22	2	8	0	-1.1791	2.80418	2.78	2.174	39.5121	93.4548000000001	2.4788	307.657413862568
Cond-005140	NPD5206	NPD5206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2373067624	CCc1ccc(cc1)N1C(=O)NC(=O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc3OCOc3c2)C1=O	InChI=1S/C32H32N4O6/c1-2-20-6-9-24(10-7-20)36-30(39)32(29(38)33-31(36)40,14-21-8-11-26-27(13-21)42-19-41-26)18-34-15-22-12-23(17-34)25-4-3-5-28(37)35(25)16-22/h3-11,13,22-23H,2,12,14-19H2,1H3,(H,33,38,40)/t22-,23+,32?/m1/s1	C32H32N4O6	568.62	10	1	108.49	7	6	0	-1.527	4.13775000000001	3.88	3.476	104.4188	157.7077	4.0926	518.823652449369
Cond-005141	NPD5208	NPD5208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2877378074	COc1c2C(CC(=O)c3ccc(cc3)N(=O)=O)N(C)CCc2cc2c1OCO2	InChI=1S/C20H20N2O6/c1-21-8-7-13-9-17-19(28-11-27-17)20(26-2)18(13)15(21)10-16(23)12-3-5-14(6-4-12)22(24)25/h3-6,9,15H,7-8,10-11H2,1-2H3	C20H20N2O6	384.383	8	0	91.14	4	5	0	0.4089	3.67668	2.78	2.612	49.7297	108.741	2.7	336.893527428235
Cond-005142	NPD5209	NPD5209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5010623489	COc1c2C(CC(=O)c3cccc(c3)N(=O)=O)N(C)CCc2cc2c1OCO2	InChI=1S/C20H20N2O6/c1-21-7-6-13-9-17-19(28-11-27-17)20(26-2)18(13)15(21)10-16(23)12-4-3-5-14(8-12)22(24)25/h3-5,8-9,15H,6-7,10-11H2,1-2H3	C20H20N2O6	384.383	8	0	91.14	4	5	0	0.4089	3.67668	2.78	2.612	49.7297	108.741	2.7	336.893527428235
Cond-005143	NPD521	NPD521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.790152185	CC(=O)C1=C(C)OC(=C(C(=O)OCc2ccccc2)[C@@]21C(=O)Nc1c2cccc1)N	InChI=1S/C23H20N2O5/c1-13(26)18-14(2)30-20(24)19(21(27)29-12-15-8-4-3-5-9-15)23(18)16-10-6-7-11-17(16)25-22(23)28/h3-11H,12,24H2,1-2H3,(H,25,28)/t23-/m1/s1	C23H20N2O5	404.415	7	3	107.72	4	5	0	-1.6956	3.03026	3.22	4.933	58.9755	110.8571	2.935	372.081878502874
Cond-005144	NPD5210	NPD5210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6095196229	CN1C(c2c[nH]c3c2cccc3)c2c(CC1(C)C)cccc2	InChI=1S/C20H22N2/c1-20(2)12-14-8-4-5-9-15(14)19(22(20)3)17-13-21-18-11-7-6-10-16(17)18/h4-11,13,19,21H,12H2,1-3H3	C20H22N2	290.402	2	1	19.03	4	1	1	0.559999999999999	3.68410000000001	3.44	5.651	33.8152	90.8570000000001	2.3908	275.888625925668
Cond-005145	NPD5211	NPD5211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7107968838	COc1ccc(OC)c(c1)N1C(=O)N=C(O)/C(=C/c2c(CCN(C)C(=O)C)cc3OCOc3c2OC)/C1=O	InChI=1S/C26H27N3O9/c1-14(30)28(2)9-8-15-10-21-23(38-13-37-21)22(36-5)17(15)12-18-24(31)27-26(33)29(25(18)32)19-11-16(34-3)6-7-20(19)35-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,27,31,33)/b18-12-	C26H27N3O9	525.507	12	1	136.43	4	9	0	-1.409	3.30945	3	1.626	86.9051	141.6928	3.6923	470.127499390886
Cond-005146	NPD5212	NPD5212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3647153638	COc1cc2c(cc1OC)[C@H](C)N(CC1(Cc3ccc4OCOc4c3)C(=O)N(C)C(=O)N(C)C1=O)CC2	InChI=1S/C27H31N3O7/c1-16-19-12-22(35-5)21(34-4)11-18(19)8-9-30(16)14-27(24(31)28(2)26(33)29(3)25(27)32)13-17-6-7-20-23(10-17)37-15-36-20/h6-7,10-12,16H,8-9,13-15H2,1-5H3/t16-/m0/s1	C27H31N3O7	509.551	10	0	97.85	5	6	0	-0.697099999999999	2.38878	3.33	1.942	86.615	137.013	3.6932	462.759489316431
Cond-005147	NPD5213	NPD5213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6440032237	COc1ccc(cc1C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(c1c(O)[nH]c(=S)n(CCC2=CCCCC2)c1=O)c1c(O)nc([S-])n(CCC2=CCCCC2)c1=O	InChI=1S/C44H52N6O6S2/c1-56-34-16-15-30(22-32(34)26-47-23-29-21-31(25-47)33-13-8-14-35(51)50(33)24-29)36(37-39(52)45-43(57)48(41(37)54)19-17-27-9-4-2-5-10-27)38-40(53)46-44(58)49(42(38)55)20-18-28-11-6-3-7-12-28/h8-9,11,13-16,22,29,31,36,52-53H,2-7,10,12,17-21,23-26H2,1H3,(H,45,57)(H,46,58)/t29-,31+/m0/s1	C44H52N6O6S2	825.05	12	4	171.54	8	12	1	-1.2264	4.78242000000001	4.76	4.415	189.7706	230.282999999999	6.11540000000002	778.657660388899
Cond-005148	NPD5214	NPD5214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1735169854	CN1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cnccc2)/C1=O	InChI=1S/C16H19N5O3/c1-20-15(23)12(14(22)19-16(20)24)10-18-21-8-3-2-6-13(21)11-5-4-7-17-9-11/h4-5,7,9-10,13,18H,2-3,6,8H2,1H3,(H,19,22,24)/b12-10-	C16H19N5O3	329.354	8	2	94.64	3	3	0	-2.3312	0.52428	2.34	0.518999999999999	56.9054	87.2574	2.4113	300.222106849185
Cond-005149	NPD5215	NPD5215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8846313527	O=C1NC(=O)/C(=C/NN2CCCCC2c2cnccc2)/C(=O)N1Cc1ccco1	InChI=1S/C20H21N5O4/c26-18-16(19(27)24(20(28)23-18)13-15-6-4-10-29-15)12-22-25-9-2-1-7-17(25)14-5-3-8-21-11-14/h3-6,8,10-12,17,22H,1-2,7,9,13H2,(H,23,26,28)/b16-12-	C20H21N5O4	395.412	9	2	107.78	4	5	0	-2.576	1.32898	2.67	1.401	57.54	105.4184	2.839	349.666895950813
Cond-005150	NPD5216	NPD5216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6733094	OC1=NC(=NC(=O)/C/1=C\N[NH+]1CCCCC1c1cnccc1)[S-]	InChI=1S/C15H17N5O2S/c21-13-11(14(22)19-15(23)18-13)9-17-20-7-2-1-5-12(20)10-4-3-6-16-8-10/h3-4,6,8-9,12,17H,1-2,5,7H2,(H2,18,19,21,22,23)	C15H17N5O2S	331.393	7	3	91.38	3	3	0	-3.9603	-0.40604	2.23	1.311	47.7027	91.5732	2.3752	292.644919580357
Cond-005151	NPD5217	NPD5217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5447285515	OC1(CC#CCN2CCCCC2c2cnccc2)c2c(cccc2)c2c1cccc2	InChI=1S/C27H26N2O/c30-27(24-13-3-1-11-22(24)23-12-2-4-14-25(23)27)16-6-8-19-29-18-7-5-15-26(29)21-10-9-17-28-20-21/h1-4,9-14,17,20,26,30H,5,7,15-16,18-19H2	C27H26N2O	394.508	3	1	36.36	5	3	1	-0.711600000000001	4.13169000000001	4.1	6.635	42.6407	117.4218	3.1552	382.848451503297
Cond-005152	NPD5218	NPD5218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7921215229	CC1(C)Oc2ccccc2C2OC(C)(CCC12)C#CCN(CCO)CCO	InChI=1S/C22H31NO4/c1-21(2)18-9-11-22(3,10-6-12-23(13-15-24)14-16-25)27-20(18)17-7-4-5-8-19(17)26-21/h4-5,7-8,18,20,24-25H,9,11-16H2,1-3H3	C22H31NO4	373.486	5	2	62.16	3	5	0	0.336199999999999	2.66799	3.33	2.48	80.2976	105.3956	3.0022	374.07411787388
Cond-005153	NPD522	NPD522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.7128712871	Brc1cc(C(=O)/C=C/c2cc3c(OCCO3)cc2)c(OCc2ccccc2)cc1	InChI=1S/C24H19BrO4/c25-19-8-11-22(29-16-18-4-2-1-3-5-18)20(15-19)21(26)9-6-17-7-10-23-24(14-17)28-13-12-27-23/h1-11,14-15H,12-13,16H2/b9-6+	C24H19BrO4	451.309	4	0	44.76	4	6	1	0.558600000000001	5.64237	3.55	6.813	43.1825	118.977	2.9926	366.977734989413
Cond-005154	NPD5220	NPD5220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8764500452	CN1CCN(CC#CC2(C)CCC3C(O2)c2ccccc2OC3(C)C)CC1	InChI=1S/C23H32N2O2/c1-22(2)19-10-12-23(3,11-7-13-25-16-14-24(4)15-17-25)27-21(19)18-8-5-6-9-20(18)26-22/h5-6,8-9,19,21H,10,12-17H2,1-4H3	C23H32N2O2	368.512	4	0	24.94	4	1	0	1.3723	3.62879	3.55	3.541	83.7631	108.721	3.0169	372.429950605991
Cond-005155	NPD5221	NPD5221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.3095220651	COc1c(/C=C/C(=O)N2CC3(C)CC2CC(C)(C)C3)cccc1	InChI=1S/C20H27NO2/c1-19(2)11-16-12-20(3,13-19)14-21(16)18(22)10-9-15-7-5-6-8-17(15)23-4/h5-10,16H,11-14H2,1-4H3/b10-9+	C20H27NO2	313.434	3	0	29.54	3	4	1	1.4031	4.18678000000001	3.33	5.127	69.19	95.4490000000001	2.603	321.901695221024
Cond-005156	NPD5222	NPD5222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3329914279	[C@@H]12OCC(O1)[C@@H](CC2=O)Sc1ccc(C)cc1	InChI=1S/C13H14O3S/c1-8-2-4-9(5-3-8)17-12-6-10(14)13-15-7-11(12)16-13/h2-5,11-13H,6-7H2,1H3/t11?,12-,13-/m1/s1	C13H14O3S	250.313	3	0	60.83	3	2	0	0.743800000000001	1.5566	2.45	2.46	41.1328	62.859	1.7821	219.76875209075
Cond-005157	NPD5223	NPD5223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7947102352	CC(C)c1c(O)c(O)c(/C=N/Cc2ncccc2)c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)c(C(C)C)c(O)c(O)c2/C=N\Cc1ncccc1	InChI=1S/C42H42N4O6/c1-21(2)31-27-15-23(5)33(39(49)35(27)29(37(47)41(31)51)19-43-17-25-11-7-9-13-45-25)34-24(6)16-28-32(22(3)4)42(52)38(48)30(36(28)40(34)50)20-44-18-26-12-8-10-14-46-26/h7-16,19-22,47-52H,17-18H2,1-6H3/b43-19-,44-20+	C42H42N4O6	698.806	10	6	171.88	6	9	2	-0.825599999999999	10.36679	4.98	7.596	79.0802	217.4888	5.35220000000001	644.721205204033
Cond-005158	NPD5224	NPD5224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1721005202	CC(C)c1c(O)c(O)c(/C=N/Cc2ccncc2)c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)c(C(C)C)c(O)c(O)c2/C=N/Cc1ccncc1	InChI=1S/C42H42N4O6/c1-21(2)31-27-15-23(5)33(39(49)35(27)29(37(47)41(31)51)19-45-17-25-7-11-43-12-8-25)34-24(6)16-28-32(22(3)4)42(52)38(48)30(36(28)40(34)50)20-46-18-26-9-13-44-14-10-26/h7-16,19-22,47-52H,17-18H2,1-6H3/b45-19+,46-20+	C42H42N4O6	698.806	10	6	171.88	6	9	2	-0.825599999999999	9.44698999999999	4.98	6.826	79.0802	214.8748	5.35220000000001	644.721205204033
Cond-005159	NPD5225	NPD5225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0435196718	COc1ccc(cc1)c1cc2c(oc1=O)cccc2	InChI=1S/C16H12O3/c1-18-13-8-6-11(7-9-13)14-10-12-4-2-3-5-15(12)19-16(14)17/h2-10H,1H3	C16H12O3	252.265	3	0	35.53	3	2	0	0.1293	3.59787	2.89	4.556	22.706	76.392	1.8693	231.70184710755
Cond-005160	NPD5226	NPD5226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.9070749994	CNc1nc2c(ccc(=O)n2C)c(/C=N(\O)/c2ccc(cc2)N(C)C)n1	InChI=1S/C18H20N6O2/c1-19-18-20-15(14-9-10-16(25)23(4)17(14)21-18)11-24(26)13-7-5-12(6-8-13)22(2)3/h5-11H,1-4H3,(H,19,20,21)/b24-11-	C18H20N6O2	352.39	8	1	87.43	3	4	0	-0.832699999999999	3.11725	2.56	1.713	53.4658	110.4907	2.6482	320.847692206924
Cond-005161	NPD5227	NPD5227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6703055169	CCCCC1N2C[C@@]3(C)CN1C[C@@](C)(C2)C3O	InChI=1S/C14H26N2O/c1-4-5-6-11-15-7-13(2)8-16(11)10-14(3,9-15)12(13)17/h11-12,17H,4-10H2,1-3H3/t11?,12?,13-,14+	C14H26N2O	238.369	3	1	26.71	0	3	0	-0.574000000000001	1.521	2.67	1.961	64.6635	68.6798000000001	2.0137	244.414614477428
Cond-005162	NPD5228	NPD5228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.998852175	[Na+].[C@H]1(CC=CC[C@@H]1C(=O)NCCc1c[nH]c2c1cccc2)C(=O)[O-]	InChI=1S/C18H20N2O3.Na/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16;/h1-5,8,11,14-15,20H,6-7,9-10H2,(H,19,21)(H,22,23);/q;+1/p-1/t14-,15+;/m0./s1	C18H19N2NaO3	334.345	5	2	85.02	3	6	0	-1.4024	1.24227	2.89	1.754	52.1396	89.8197	2.3722	289.605566126018
Cond-005163	NPD5229	NPD5229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2727916575	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1ccccc1)(C(C)C)C2=O	InChI=1S/C20H28N2O/c1-14(2)19-10-21-12-20(15(3)4,18(19)23)13-22(11-19)17(21)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3/t17?,19-,20+	C20H28N2O	312.449	3	0	23.55	1	3	0	0.347400000000002	3.07669	3.33	4.299	66.9449	94.3430000000001	2.5785	314.38822872863
Cond-005164	NPD523	NPD523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.4543422508	O=C(CCC(=O)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2)NCCc1ccccc1	InChI=1S/C23H27N3O3/c27-21(24-12-11-17-5-2-1-3-6-17)9-10-22(28)25-14-18-13-19(16-25)20-7-4-8-23(29)26(20)15-18/h1-8,18-19H,9-16H2,(H,24,27)/t18-,19?/m0/s1	C23H27N3O3	393.479	6	1	69.72	4	8	0	-1.7005	1.97237	3.33	2.625	85.0843	112.2057	3.0464	384.307561412319
Cond-005165	NPD5230	NPD5230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.1127310914	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1cccc(Br)c1)(C(C)C)C2=O	InChI=1S/C20H27BrN2O/c1-13(2)19-9-22-11-20(14(3)4,18(19)24)12-23(10-19)17(22)15-6-5-7-16(21)8-15/h5-8,13-14,17H,9-12H2,1-4H3/t17?,19-,20+	C20H27BrN2O	391.345	3	0	23.55	1	3	0	1.2362	3.83919	3.22	4.1	75.544	102.043	2.7535	333.671847706196
Cond-005166	NPD5232	NPD5232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.5162079511	NC(=O)N/N=C/C(=N/NC(=O)N)/C(O)C(O)C(O)CO	InChI=1S/C8H16N6O6/c9-7(19)13-11-1-3(12-14-8(10)20)5(17)6(18)4(16)2-15/h1,4-6,15-18H,2H2,(H3,9,13,19)(H3,10,14,20)/b11-1+,12-3-	C8H16N6O6	292.249	12	10	215.88	0	9	2	-2.9222	-4.76452	1.02	-3.97	59.1153	70.1404	2.0148	255.1004223569
Cond-005167	NPD5233	NPD5233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6593272171	CC(C)CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O	InChI=1S/C21H21NO3/c1-14(2)11-12-25-16-9-7-15(8-10-16)20-13-18(21(23)24)17-5-3-4-6-19(17)22-20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)	C21H21NO3	335.396	4	1	59.42	3	6	1	-0.0973999999999998	5.44688	3.33	6.028	30.73	104.0348	2.6306	315.642071744252
Cond-005168	NPD5234	NPD5234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8850152905	CC1(C)Cc2c(CO1)cc1[nH]c(O)nc1n2	InChI=1S/C11H13N3O2/c1-11(2)4-8-6(5-16-11)3-7-9(12-8)14-10(15)13-7/h3H,4-5H2,1-2H3,(H2,12,13,14,15)	C11H13N3O2	219.24	5	2	71.03	3	0	0	-0.3667	1.87437	2.12	0.927	30.8293	62.303	1.5775	179.967812705356
Cond-005169	NPD5235	NPD5235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5425076453	CCCCCOc1ccc(cc1)C(=O)CCNC(C)C	InChI=1S/C17H27NO2/c1-4-5-6-13-20-16-9-7-15(8-10-16)17(19)11-12-18-14(2)3/h7-10,14,18H,4-6,11-13H2,1-3H3	C17H27NO2	277.402	3	1	38.33	1	10	0	-1.5408	3.79479	3	4.1	54.0675	86.5697000000001	2.4405	297.363117445823
Cond-005170	NPD5236	NPD5236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1547400612	COc1cc(CCC(C)NCCC(c2ccccc2)c2ccccc2)c(OC)cc1OC	InChI=1S/C28H35NO3/c1-21(15-16-24-19-27(31-3)28(32-4)20-26(24)30-2)29-18-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,19-21,25,29H,15-18H2,1-4H3	C28H35NO3	433.582	4	1	39.72	3	12	2	-1.2078	6.83018000000001	4.1	9.615	53.7245	134.4227	3.6169	436.713964125319
Cond-005171	NPD5237	NPD5237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.176146789	COc1cc(OC)c(CCC(C)NCCCc2ccccc2)cc1	InChI=1S/C21H29NO2/c1-17(22-15-7-10-18-8-5-4-6-9-18)11-12-19-13-14-20(23-2)16-21(19)24-3/h4-6,8-9,13-14,16-17,22H,7,10-12,15H2,1-3H3	C21H29NO2	327.46	3	1	30.49	2	10	1	-0.962700000000001	5.24888000000001	3.44	6.644	47.4944	104.2167	2.8095	338.017679846891
Cond-005172	NPD5238	NPD5238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5229357798	CNCC1(CCCC1)c1ccc(OC)c(OC)c1	InChI=1S/C15H23NO2/c1-16-11-15(8-4-5-9-15)12-6-7-13(17-2)14(10-12)18-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3	C15H23NO2	249.349	3	1	30.49	2	5	0	-1.2311	3.23579	2.78	3.059	46.515	75.6797000000001	2.0931	253.051148194089
Cond-005173	NPD5239	NPD5239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.047706422	COc1ccc(cc1OC)[C@]1(CNC(=O)C)CCC(CC1)OC(=O)C	InChI=1S/C19H27NO5/c1-13(21)20-12-19(9-7-16(8-10-19)25-14(2)22)15-5-6-17(23-3)18(11-15)24-4/h5-6,11,16H,7-10,12H2,1-4H3,(H,20,21)/t16?,19-	C19H27NO5	349.421	6	1	73.86	2	8	0	-1.6695	2.81729	2.89	2.591	65.4982	97.1727000000001	2.7468	343.332849397641
Cond-005174	NPD524	NPD524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.3807812352	COc1cc2c(cc1OC)C(C)N(CC2)C(=O)C1(CCCC1)c1ccccc1	InChI=1S/C24H29NO3/c1-17-20-16-22(28-3)21(27-2)15-18(20)11-14-25(17)23(26)24(12-7-8-13-24)19-9-5-4-6-10-19/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3	C24H29NO3	379.492	4	0	38.77	4	5	1	-1.2913	4.55429000000001	3.66	5.988	58.7082	112.431	3.0307	371.346484322652
Cond-005175	NPD5240	NPD5240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.384097859	C/C=C/C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C14H16N2O/c1-2-5-14(17)15-9-8-11-10-16-13-7-4-3-6-12(11)13/h2-7,10,16H,8-9H2,1H3,(H,15,17)/b5-2+	C14H16N2O	228.29	3	2	44.89	2	5	0	0.0126000000000001	2.48607	2.67	2.813	35.8815	74.2727	1.8643	219.152320973428
Cond-005176	NPD5241	NPD5241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.225688073	C(CN1CCCC1)NCC1OCCc2c1cccc2	InChI=1S/C16H24N2O/c1-2-6-15-14(5-1)7-12-19-16(15)13-17-8-11-18-9-3-4-10-18/h1-2,5-6,16-17H,3-4,7-13H2	C16H24N2O	260.375	3	1	24.5	3	5	0	-0.8625	1.6447	2.89	2.775	49.7632	76.6047000000001	2.1665	260.197207626762
Cond-005177	NPD5242	NPD5242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4262996942	C1CCC2(C1)CN=C(c1ccccc1)c1c2cccc1	InChI=1S/C19H19N/c1-2-8-15(9-3-1)18-16-10-4-5-11-17(16)19(14-20-18)12-6-7-13-19/h1-5,8-11H,6-7,12-14H2	C19H19N	261.361	1	0	12.36	4	1	1	-1.1392	4.24709	3.44	7.212	29.303	84.3510000000001	2.1501	258.495881091634
Cond-005178	NPD5244	NPD5244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6550458716	CCCCCC1CC(COc2ccccc2)OC1=O	InChI=1S/C16H22O3/c1-2-3-5-8-13-11-15(19-16(13)17)12-18-14-9-6-4-7-10-14/h4,6-7,9-10,13,15H,2-3,5,8,11-12H2,1H3	C16H22O3	262.344	3	0	35.53	2	7	1	-0.730200000000001	4.31208	2.89	5.178	43.1796	79.37	2.1499	265.50414061155
Cond-005179	NPD5245	NPD5245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8391437309	COc1cc2c(cc1OC)C1(CCOCC1)CN(C)C2	InChI=1S/C16H23NO3/c1-17-10-12-8-14(18-2)15(19-3)9-13(12)16(11-17)4-6-20-7-5-16/h8-9H,4-7,10-11H2,1-3H3	C16H23NO3	277.359	4	0	30.93	3	2	0	0.0456000000000022	2.35869	2.78	1.449	55.2183	78.9160000000001	2.1841	266.780900819717
Cond-005180	NPD5246	NPD5246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5314984709	COc1ccc(cc1)C1(C)CC(=O)NC1=O	InChI=1S/C12H13NO3/c1-12(7-10(14)13-11(12)15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14,15)	C12H13NO3	219.237	4	1	55.4	2	2	0	-0.5031	1.23329	2.34	0.932	32.3706	61.3557	1.6431	204.68050361545
Cond-005181	NPD5247	NPD5247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.7113149847	CC(C)CCOc1ccc(cc1)C(=O)CCC(=O)O	InChI=1S/C15H20O4/c1-11(2)9-10-19-13-5-3-12(4-6-13)14(16)7-8-15(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)	C15H20O4	264.317	4	1	63.6	1	8	0	-0.2916	3.39289	2.67	3.082	45.1744	75.8353000000001	2.1333	266.718382686245
Cond-005182	NPD5248	NPD5248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1926605505	CCOc1ccc(cc1)C1(C)CC(=O)NC(=O)N1	InChI=1S/C13H16N2O3/c1-3-18-10-6-4-9(5-7-10)13(2)8-11(16)14-12(17)15-13/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)	C13H16N2O3	248.278	5	2	67.43	2	3	0	-0.3632	0.78689	2.34	1.548	39.0784	68.3304	1.8838	232.973248449484
Cond-005183	NPD5249	NPD5249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0758409786	Cc1cccc2c1C(CC(=O)O2)c1ccccc1	InChI=1S/C16H14O2/c1-11-6-5-9-14-16(11)13(10-15(17)18-14)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3	C16H14O2	238.281	2	0	26.3	3	1	1	0.4548	3.92831	3	6.189	20.1227	73.262	1.8536	225.548079107789
Cond-005184	NPD525	NPD525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.8949211909	CC(=O)OCC(=O)[C@]1(CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OP(=O)(O)O)OC(=O)C	InChI=1S/C25H37O9P/c1-15(26)32-14-22(28)25(33-16(2)27)12-9-21-19-6-5-17-13-18(34-35(29,30)31)7-10-23(17,3)20(19)8-11-24(21,25)4/h5,18-21H,6-14H2,1-4H3,(H2,29,30,31)/t18?,19?,20?,21?,23-,24-,25-/m0/s1	C25H37O9P	512.53	9	2	146.24	4	8	0	-0.189099999999998	4.02128000000001	3.11	2.256	122.9259	127.7301	3.7576	479.923698454119
Cond-005185	NPD5250	NPD5250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1149847095	CC(C)Oc1ccc(cc1)C(CN)CC(=O)N	InChI=1S/C13H20N2O2/c1-9(2)17-12-5-3-10(4-6-12)11(8-14)7-13(15)16/h3-6,9,11H,7-8,14H2,1-2H3,(H2,15,16)	C13H20N2O2	236.31	4	4	78.34	1	6	0	-1.7463	1.62539	2.45	1.192	40.5422	71.0558	1.9767	239.175939150523
Cond-005186	NPD5251	NPD5251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9149847095	CC(=O)Nc1ccc(cc1)C1OC1(C(=O)N)C(=O)N	InChI=1S/C12H13N3O4/c1-6(16)15-8-4-2-7(3-5-8)9-12(19-9,10(13)17)11(14)18/h2-5,9H,1H3,(H2,13,17)(H2,14,18)(H,15,16)	C12H13N3O4	263.249	7	5	127.81	2	5	0	-2.3839	-0.68151	2.01	-1.368	35.0689	68.1565	1.8584	232.827792031545
Cond-005187	NPD5252	NPD5252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.5883792049	CC(=C(NC(=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O)C	InChI=1S/C21H22N2O4/c1-14(2)18(23-19(24)16-11-7-4-8-12-16)20(25)22-17(21(26)27)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)	C21H22N2O4	366.41	6	3	95.5	2	9	1	-0.494700000000001	2.68248	3.11	5.664	49.7209	104.9677	2.8547	356.04905865298
Cond-005188	NPD5253	NPD5253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6825688073	COc1c(OC)cc2c(CN(CC=C)CC32CCCC3)c1	InChI=1S/C18H25NO2/c1-4-9-19-12-14-10-16(20-2)17(21-3)11-15(14)18(13-19)7-5-6-8-18/h4,10-11H,1,5-9,12-13H2,2-3H3	C18H25NO2	287.397	3	0	21.7	3	4	0	-0.1691	3.60468	3.11	3.392	59.9879	86.2010000000001	2.3642	289.94618467009
Cond-005189	NPD5254	NPD5254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6183486239	COc1cc2c(cc1OC)c(=O)n(C/C=C/c1ccccc1)cn2	InChI=1S/C19H18N2O3/c1-23-17-11-15-16(12-18(17)24-2)20-13-21(19(15)22)10-6-9-14-7-4-3-5-8-14/h3-9,11-13H,10H2,1-2H3/b9-6+	C19H18N2O3	322.358	5	0	51.13	3	5	0	-0.2932	3.21617	3	4.931	44.6549	96.985	2.4486	302.946862700685
Cond-005190	NPD5256	NPD5256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.8733944954	[C@@H]12CCC3C4CC/C(=N/NC(=S)N)/[C@@]4(C)CCC3[C@@]1(C)CC=CC2	InChI=1S/C20H31N3S/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(22-23-18(21)24)20(15,2)12-10-16(14)19/h3-4,13-16H,5-12H2,1-2H3,(H3,21,23,24)/b22-17-/t13-,14?,15?,16?,19+,20+/m1/s1	C20H31N3S	345.545	3	3	82.5	4	2	1	2.0004	4.20828	3.22	6.486	100.6936	104.1511	2.8261	348.640244994635
Cond-005191	NPD5257	NPD5257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0250764526	O=C(NC[C@H]1OCCc2c1cccc2)c1ccco1	InChI=1S/C15H15NO3/c17-15(13-6-3-8-18-13)16-10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)/t14-/m1/s1	C15H15NO3	257.284	4	1	51.47	3	4	0	-0.7146	1.95069	2.67	3.025	27.9538	72.1237	1.9142	230.67554009145
Cond-005192	NPD5258	NPD5258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2305810398	CCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5[C@@]4(C)CCC23)C1	InChI=1S/C33H54O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h21-28,30H,6-20H2,1-5H3/t21?,22?,23?,24-,25?,26?,27?,28?,30?,31+,32+,33?/m1/s1	C33H54O4	514.779	4	0	44.76	6	6	1	-0.0678999999999988	8.15889000000001	4.65	10.006	134.4261	148.983	4.2985	537.709647251047
Cond-005193	NPD5259	NPD5259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4850152905	CCC(C)CC(=O)O[C@@H]1CC[C@@]2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5[C@@]4(C)CCC23)C1	InChI=1S/C33H54O4/c1-7-20(2)16-29(34)36-24-11-13-31(5)23(17-24)8-9-25-26(31)12-14-32(6)27(25)18-28-30(32)22(4)33(37-28)15-10-21(3)19-35-33/h20-28,30H,7-19H2,1-6H3/t20?,21?,22?,23?,24-,25?,26?,27?,28?,30?,31+,32+,33?/m1/s1	C33H54O4	514.779	4	0	44.76	6	5	1	0.641500000000002	8.01479000000001	4.65	9.945	137.1382	148.913	4.2985	537.709647251047
Cond-005194	NPD526	NPD526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.2787360487	CCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C26H38O5/c1-4-5-6-23(29)31-16-22(28)26(30)14-11-21-19-8-7-17-15-18(27)9-12-24(17,2)20(19)10-13-25(21,26)3/h15,19-21,30H,4-14,16H2,1-3H3/t19?,20?,21?,24-,25-,26-/m0/s1	C26H38O5	430.577	5	1	80.67	4	7	0	-0.476000000000001	4.71198000000001	3.77	4.129	114.8542	120.1238	3.4591	442.231522869742
Cond-005195	NPD5260	NPD5260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9565749235	CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5[C@@]4(C)CCC23)C1	InChI=1S/C34H56O4/c1-6-7-8-9-10-30(35)37-25-14-16-32(4)24(19-25)11-12-26-27(32)15-17-33(5)28(26)20-29-31(33)23(3)34(38-29)18-13-22(2)21-36-34/h22-29,31H,6-21H2,1-5H3/t22?,23?,24?,25-,26?,27?,28?,29?,31?,32+,33+,34?/m1/s1	C34H56O4	528.806	4	0	44.76	6	7	1	-0.355899999999999	8.54899	4.76	10.575	137.3377	153.6	4.4394	555.005631876913
Cond-005196	NPD5261	NPD5261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6654434251	CC(C)COCC1C[C@]2(CC(C)(OC2=O)c2csc(N)n2)C(=O)O1	InChI=1S/C16H22N2O5S/c1-9(2)5-21-6-10-4-16(12(19)22-10)8-15(3,23-13(16)20)11-7-24-14(17)18-11/h7,9-10H,4-6,8H2,1-3H3,(H2,17,18)/t10?,15?,16-/m0/s1	C16H22N2O5S	354.421	7	2	128.98	3	5	0	0.218499999999997	2.21459	2.34	1.573	73.5842	90.9464	2.5218	311.230679785807
Cond-005197	NPD5262	NPD5262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.176146789	CC(C)COCC1C[C@]2(CC(C)(OC2=O)C(=O)C)C(=O)O1	InChI=1S/C15H22O6/c1-9(2)6-19-7-11-5-15(12(17)20-11)8-14(4,10(3)16)21-13(15)18/h9,11H,5-8H2,1-4H3/t11?,14?,15-/m0/s1	C15H22O6	298.332	6	0	78.9	2	5	0	0.123899999999998	1.48939	2.45	0.922	72.339	75.625	2.2281	288.115294788167
Cond-005198	NPD5263	NPD5263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2073394495	CC(C)COCC1CC2(CC(C)C(=O)C=C2O)C(=O)O1	InChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h4,9-11,17H,5-8H2,1-3H3	C15H22O5	282.332	5	1	72.83	2	4	0	0.1433	2.17178	2.56	1.317	73.7905	75.0598	2.1694	279.325068087606
Cond-005199	NPD5264	NPD5264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7669724771	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccco1)C2=O	InChI=1S/C16H22N2O2/c1-3-15-8-17-10-16(4-2,14(15)19)11-18(9-15)13(17)12-6-5-7-20-12/h5-7,13H,3-4,8-11H2,1-2H3/t13?,15-,16+	C16H22N2O2	274.358	4	0	36.69	1	3	0	-0.338700000000001	2.15849	2.78	1.257	60.7294	79.944	2.1166	256.630975626523
Cond-005200	NPD5265	NPD5265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.3400611621	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1cc(Br)ccc1)C2=O	InChI=1S/C18H23BrN2O/c1-3-17-9-20-11-18(4-2,16(17)22)12-21(10-17)15(20)13-6-5-7-14(19)8-13/h5-8,15H,3-4,9-12H2,1-2H3/t15?,17-,18+	C18H23BrN2O	363.292	3	0	23.55	1	3	0	0.704199999999999	3.34719	3	3.084	67.7094	92.949	2.4717	299.079878454463
Cond-005201	NPD5266	NPD5266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1388379205	CC(CC[N+](C)(C)C)OC(=O)c1ccc(o1)C(C)c1ccccc1	InChI=1S/C20H28NO3/c1-15(13-14-21(3,4)5)23-20(22)19-12-11-18(24-19)16(2)17-9-7-6-8-10-17/h6-12,15-16H,13-14H2,1-5H3/q+1	C20H28NO3+	330.441	4	0	39.44	2	8	1	-1.5243	4.00549	3.22	5.503	50.4566	99.5844000000001	2.7488	330.830151271985
Cond-005202	NPD5268	NPD5268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5675840979	CC(SCc1ccc(o1)C(=O)O)c1ccc(o1)C(=O)O	InChI=1S/C13H12O6S/c1-7(9-4-5-11(19-9)13(16)17)20-6-8-2-3-10(18-8)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)	C13H12O6S	296.296	6	2	126.18	2	6	0	-0.1847	2.51279	2.12	2.492	39.4791	77.3901	1.9808	242.322973491634
Cond-005203	NPD5269	NPD5269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.095412844	CCCCOc1ccc(cc1)C1(C)CC(=O)N1	InChI=1S/C14H19NO2/c1-3-4-9-17-12-7-5-11(6-8-12)14(2)10-13(16)15-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)	C14H19NO2	233.306	3	1	38.33	2	5	0	-1.1126	2.49339	2.67	2.965	38.0794	69.4217	1.9092	233.118704867423
Cond-005204	NPD527	NPD527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.792159303	[C@@H]1(CCCN1C(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1)c(C)cc(=O)o2	InChI=1S/C23H21NO6/c1-15-12-21(25)30-20-13-17(9-10-18(15)20)29-22(26)19-8-5-11-24(19)23(27)28-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3/t19-/m1/s1	C23H21NO6	407.416	7	0	82.14	4	7	1	-0.168600000000002	3.92797	3.22	5.336	54.4721	111.204	2.9369	372.511803696069
Cond-005205	NPD5270	NPD5270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.8740061162	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1ccccc1N(=O)=O)(C(C)C)C2=O	InChI=1S/C20H27N3O3/c1-13(2)19-9-21-11-20(14(3)4,18(19)24)12-22(10-19)17(21)15-7-5-6-8-16(15)23(25)26/h5-8,13-14,17H,9-12H2,1-4H3/t17?,19-,20+	C20H27N3O3	357.447	6	0	66.69	1	4	0	1.0075	3.46049	3	3.764	70.8349	104.246	2.7527	340.328983637119
Cond-005206	NPD5271	NPD5271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	19.3663608563	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1ccc(Cl)cc1)(C(C)C)C2=O	InChI=1S/C20H27ClN2O/c1-13(2)19-9-22-11-20(14(3)4,18(19)24)12-23(10-19)17(22)15-5-7-16(21)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3/t17?,19-,20+	C20H27ClN2O	346.894	3	0	23.55	1	3	0	1.0917	3.73009	3.22	3.762	72.5605	99.3530000000001	2.7009	329.599296499063
Cond-005207	NPD5272	NPD5272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.6360856269	CC[C@@]12CN3C[C@@](CC)(CN(C1)C3c1ccccc1N(=O)=O)C2=O	InChI=1S/C18H23N3O3/c1-3-17-9-19-11-18(4-2,16(17)22)12-20(10-17)15(19)13-7-5-6-8-14(13)21(23)24/h5-8,15H,3-4,9-12H2,1-2H3/t15?,17-,18+	C18H23N3O3	329.394	6	0	66.69	1	4	0	0.475499999999999	2.96849	2.78	2.748	63.0003	95.1520000000001	2.4709	305.737014385385
Cond-005208	NPD5273	NPD5273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1131498471	CCCCC1(CN2CCCCCC2=O)C(=O)N=C(O)N=C1O	InChI=1S/C15H23N3O4/c1-2-3-8-15(12(20)16-14(22)17-13(15)21)10-18-9-6-4-5-7-11(18)19/h2-10H2,1H3,(H2,16,17,20,21,22)	C15H23N3O4	309.361	7	2	102.56	2	5	0	-3.3336	2.00557	2.34	1.555	70.8531	87.0136000000001	2.3671	300.888663310745
Cond-005209	NPD5274	NPD5274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6513761468	Cc1nc2ccc(I)cc2c(=O)n1CCO	InChI=1S/C11H11IN2O2/c1-7-13-10-3-2-8(12)6-9(10)11(16)14(7)4-5-15/h2-3,6,15H,4-5H2,1H3	C11H11IN2O2	330.122	4	1	52.9	2	2	0	0.3928	1.65528	2.12	1.673	44.9997	73.8868	1.8015	214.867854167455
Cond-005210	NPD5275	NPD5275	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3235474006	COc1c(cccc1)C1(CC(=O)Nc2nccs2)CCOC(C)(C)C1	InChI=1S/C19H24N2O3S/c1-18(2)13-19(8-10-24-18,14-6-4-5-7-15(14)23-3)12-16(22)21-17-20-9-11-25-17/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,21,22)	C19H24N2O3S	360.47	5	1	88.69	3	6	0	0.597400000000002	4.84128000000001	2.89	3.738	59.0262	102.7837	2.7411	329.365262860685
Cond-005211	NPD5276	NPD5276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	61.7883792049	OC(=O)c1c(cccc1)C(=O)NCCC(c1ccco1)c1ccccc1	InChI=1S/C21H19NO4/c23-20(17-9-4-5-10-18(17)21(24)25)22-13-12-16(19-11-6-14-26-19)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,22,23)(H,24,25)	C21H19NO4	349.38	5	2	79.54	3	8	1	-1.3394	3.88149	3.22	6.284	27.4766	99.4390000000001	2.6463	321.795839744013
Cond-005212	NPD5277	NPD5277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2305810398	[C@@H]12C[N+](C)(C)C(CC=C)C1=Cc1c(C2)cccc1	InChI=1S/C17H22N/c1-4-7-17-16-11-14-9-6-5-8-13(14)10-15(16)12-18(17,2)3/h4-6,8-9,11,15,17H,1,7,10,12H2,2-3H3/q+1/t15-,17?/m1/s1	C17H22N+	240.363	1	0	0	3	2	0	-0.0277000000000014	3.02048	3.22	4.444	50.7584	75.8584000000001	2.0844	253.751517292701
Cond-005213	NPD5278	NPD5278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2917431193	COc1cc2c(cc1OC)c(=O)n(CC(=C)C)cn2	InChI=1S/C14H16N2O3/c1-9(2)7-16-8-15-11-6-13(19-4)12(18-3)5-10(11)14(16)17/h5-6,8H,1,7H2,2-4H3	C14H16N2O3	260.288	5	0	51.13	2	4	0	0.3929	2.18777	2.45	1.09	48.7655	77.1150000000001	1.9817	247.63277437455
Cond-005214	NPD528	NPD528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	61.1158368777	CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3/t22?,23?,24?,26-,27-,28-/m0/s1	C28H42O4	442.631	4	0	60.44	4	8	1	-0.380000000000001	6.51978000000001	4.1	6.304	118.9752	127.946	3.6822	468.033265420914
Cond-005215	NPD5280	NPD5280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6379204893	COC(=O)C(NC(=O)c1ccccn1)C(C)O	InChI=1S/C11H14N2O4/c1-7(14)9(11(16)17-2)13-10(15)8-5-3-4-6-12-8/h3-7,9,14H,1-2H3,(H,13,15)	C11H14N2O4	238.24	6	2	88.52	1	6	0	-1.2401	-0.0323100000000001	2.01	0.372	34.6139	62.431	1.7693	219.527964599111
Cond-005216	NPD5281	NPD5281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3694189602	CC(C)COc1c(cccc1)C(=O)NCCC(=O)O	InChI=1S/C14H19NO4/c1-10(2)9-19-12-6-4-3-5-11(12)14(18)15-8-7-13(16)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)	C14H19NO4	265.305	5	2	75.63	1	8	0	-0.3978	2.15979	2.45	2.208	44.5213	74.6040000000001	2.0922	260.419158268545
Cond-005217	NPD5282	NPD5282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3211009174	CCOC(=O)CCNC(=O)CCNC(=O)c1c(O)cccc1	InChI=1S/C15H20N2O5/c1-2-22-14(20)8-10-16-13(19)7-9-17-15(21)11-5-3-4-6-12(11)18/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,21)	C15H20N2O5	308.33	7	3	104.73	1	11	1	-1.3755	0.815390000000001	2.34	1.543	52.2526	82.5597	2.3486	294.86567110234
Cond-005218	NPD5283	NPD5283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2171253823	CC(C)Oc1ccc(CC2=N[C@](C)(CO)CO2)cc1	InChI=1S/C15H21NO3/c1-11(2)19-13-6-4-12(5-7-13)8-14-16-15(3,9-17)10-18-14/h4-7,11,17H,8-10H2,1-3H3/t15-/m1/s1	C15H21NO3	263.332	4	1	51.05	2	5	0	-0.282499999999999	2.09369	2.67	2.287	48.9369	75.6028	2.1088	259.20491619385
Cond-005219	NPD5284	NPD5284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5382262997	[C@@H](C)(NC(=O)C(=C(C)C)NC(=O)c1ccccc1)C(=O)O	InChI=1S/C15H18N2O4/c1-9(2)12(14(19)16-10(3)15(20)21)17-13(18)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,16,19)(H,17,18)(H,20,21)/t10-/m0/s1	C15H18N2O4	290.314	6	3	95.5	1	7	0	-0.5058	1.45968	2.45	2.399	50.7542	80.4957000000001	2.2469	283.438985700978
Cond-005220	NPD5285	NPD5285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3877675841	[C@@H]1(Cc2c[nH]c3c2cccc3)NC(=S)N(C1=O)c1ccccc1	InChI=1S/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)/t16-/m0/s1	C18H15N3OS	321.396	4	2	80.22	4	3	0	-0.3672	3.68457	2.89	4.699	34.3632	100.5927	2.345	274.319750238662
Cond-005221	NPD5286	NPD5286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3504587156	COc1ccc(cc1)C(=O)OC[C@H]1CCC[N+]2(C)CCCCC12	InChI=1S/C19H28NO3/c1-20-12-4-3-7-18(20)16(6-5-13-20)14-23-19(21)15-8-10-17(22-2)11-9-15/h8-11,16,18H,3-7,12-14H2,1-2H3/q+1/t16-,18?,20?/m1/s1	C19H28NO3+	318.431	4	0	35.53	3	5	0	-2.7026	3.22949	3.11	3.211	55.7397	92.5794000000001	2.5853	317.350625346918
Cond-005222	NPD5287	NPD5287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.022018349	CC(C)Oc1ccc(cc1)C1CC(=O)N(C1=O)c1cccc(/C=C/C(=O)O)c1	InChI=1S/C22H21NO5/c1-14(2)28-18-9-7-16(8-10-18)19-13-20(24)23(22(19)27)17-5-3-4-15(12-17)6-11-21(25)26/h3-12,14,19H,13H2,1-2H3,(H,25,26)/b11-6+	C22H21NO5	379.406	6	1	83.91	3	6	0	-0.8488	3.66988	3.22	4.141	54.831	107.3498	2.8459	358.782051070441
Cond-005223	NPD5288	NPD5288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1743119266	CCC(CCC(=O)Nc1ccc(cc1)C(=O)O)C(=O)O	InChI=1S/C14H17NO5/c1-2-9(13(17)18)5-8-12(16)15-11-6-3-10(4-7-11)14(19)20/h3-4,6-7,9H,2,5,8H2,1H3,(H,15,16)(H,17,18)(H,19,20)	C14H17NO5	279.288	6	3	103.7	1	8	0	-1.2054	2.18269	2.34	1.869	43.313	75.7033000000001	2.1079	266.572926268306
Cond-005224	NPD5289	NPD5289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3816513761	CC1(C)CC2(CC(C)(OC2=O)c2csc(N)n2)C(=O)O1	InChI=1S/C13H16N2O4S/c1-11(2)5-13(8(16)18-11)6-12(3,19-9(13)17)7-4-20-10(14)15-7/h4H,5-6H2,1-3H3,(H2,14,15)	C13H16N2O4S	296.342	6	2	119.75	3	1	0	0.6798	1.95199	2.12	1.525	58.5322	75.5804	2.0404	250.552499207645
Cond-005225	NPD529	NPD529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.9165799678	O=N(=O)c1ccc(cc1)C1NC(Cc2c1[nH]c1ccccc21)c1ccccc1	InChI=1S/C23H19N3O2/c27-26(28)17-12-10-16(11-13-17)22-23-19(18-8-4-5-9-20(18)24-23)14-21(25-22)15-6-2-1-3-7-15/h1-13,21-22,24-25H,14H2	C23H19N3O2	369.416	5	2	70.96	5	3	1	-0.2191	4.69778	3.44	7.119	22.1512	111.2337	2.7501	322.551499908557
Cond-005226	NPD5290	NPD5290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.811009174	CC(C)C1CC(C)(OC1=O)c1csc(N)n1	InChI=1S/C11H16N2O2S/c1-6(2)7-4-11(3,15-9(7)14)8-5-16-10(12)13-8/h5-7H,4H2,1-3H3,(H2,12,13)	C11H16N2O2S	240.322	4	2	93.45	2	2	0	0.394799999999999	2.51229	2.12	2.1	49.0976	66.6874	1.7928	213.372993956389
Cond-005227	NPD5292	NPD5292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	12.095412844	CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)OCN2C1	InChI=1S/C28H45NO2/c1-17-5-8-24-18(2)26-25(31-16-29(24)15-17)14-23-21-7-6-19-13-20(30)9-11-27(19,3)22(21)10-12-28(23,26)4/h6,17-18,20-26,30H,5,7-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27-,28-/m0/s1	C28H45NO2	427.662	3	1	32.7	6	0	1	0.3795	5.55529000000001	4.21	6.09	120.7975	124.1088	3.5764	444.646030928759
Cond-005228	NPD5293	NPD5293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1357798165	Oc1c(I)cc(Oc2c(I)cc(CC3NC(=S)N(C3=O)c3ccccc3)cc2I)cc1I	InChI=1S/C22H14I4N2O3S/c23-14-9-13(10-15(24)19(14)29)31-20-16(25)6-11(7-17(20)26)8-18-21(30)28(22(32)27-18)12-4-2-1-3-5-12/h1-7,9-10,18,29H,8H2,(H,27,32)	C22H14I4N2O3S	894.041	5	2	93.89	4	5	1	5.1192	7.69707	2.78	8.506	91.0317	168.3725	3.873	445.921671214547
Cond-005229	NPD5294	NPD5294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.45382263	OC1(CNCCc2c1cccc2)c1ccccc1	InChI=1S/C16H17NO/c18-16(14-7-2-1-3-8-14)12-17-11-10-13-6-4-5-9-15(13)16/h1-9,17-18H,10-12H2	C16H17NO	239.312	2	2	32.26	3	1	1	-0.8868	1.4944	3	5.228	22.0438	70.7455	1.9377	230.391071316195
Cond-005230	NPD5295	NPD5295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8409785933	CC1(C)CC(=O)C2=C(C1)N1CCc3c(cccc3)C1(C)C/C/2=N\O	InChI=1S/C20H24N2O2/c1-19(2)11-16-18(17(23)12-19)15(21-24)10-20(3)14-7-5-4-6-13(14)8-9-22(16)20/h4-7,24H,8-12H2,1-3H3/b21-15+	C20H24N2O2	324.417	4	1	52.9	4	0	0	1.0797	3.45598	3.22	4.887	70.2283	95.2855000000001	2.5512	317.905538027591
Cond-005231	NPD5296	NPD5296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.3143730887	CC1(C)C2CCC(C2)[C@@]1(C)c1ccccc1O	InChI=1S/C16H22O/c1-15(2)11-8-9-12(10-11)16(15,3)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11?,12?,16-/m0/s1	C16H22O	230.345	1	1	20.23	3	1	1	0.687499999999999	4.47659	3.11	6.427	43.6865	72.4900000000001	1.9669	238.203687210428
Cond-005232	NPD5297	NPD5297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.7633027523	CC1(C)CC(=O)C2=C(C1)c1c(N[C@H]2c2cccnc2)ccc2c1cccc2	InChI=1S/C24H22N2O/c1-24(2)12-18-21-17-8-4-3-6-15(17)9-10-19(21)26-23(22(18)20(27)13-24)16-7-5-11-25-14-16/h3-11,14,23,26H,12-13H2,1-2H3/t23-/m0/s1	C24H22N2O	354.444	3	1	41.99	5	1	1	0.747199999999999	5.25438	3.77	5.956	42.6972	110.8937	2.7755	333.596956326497
Cond-005233	NPD5298	NPD5298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0642201835	[Mg+2].NC(CCc1nc2c([nH]1)cccc2)C(=O)[O-].NC(CCc1nc2c([nH]1)cccc2)C(=O)[O-]	InChI=1S/2C11H13N3O2.Mg/c2*12-7(11(15)16)5-6-10-13-8-3-1-2-4-9(8)14-10;/h2*1-4,7H,5-6,12H2,(H,13,14)(H,15,16);/q;;+2/p-2	C22H24MgN6O4	460.769	5	3	94.83	2	4	0	-2.821	-0.27012	2.12	-1.42	21.6096	62.1134	1.6216	188.369583354956
Cond-005234	NPD5299	NPD5299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7455657492	COc1cc2c([nH]cc2CCNC=O)cc1	InChI=1S/C12H14N2O2/c1-16-10-2-3-12-11(6-10)9(7-14-12)4-5-13-8-15/h2-3,6-8,14H,4-5H2,1H3,(H,13,15)	C12H14N2O2	218.252	4	2	54.12	2	5	0	-0.908699999999999	1.62218	2.34	1.106	28.5737	67.3377	1.6842	195.987037123056
Cond-005235	NPD53	NPD53	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3365949119	COc1cc2c([nH]c3c2ncn(Cc2cccc(OC)c2OC)c3=O)cc1	InChI=1S/C20H19N3O4/c1-25-13-7-8-15-14(9-13)17-18(22-15)20(24)23(11-21-17)10-12-5-4-6-16(26-2)19(12)27-3/h4-9,11,22H,10H2,1-3H3	C20H19N3O4	365.383	7	1	76.15	4	5	0	-1.2332	3.51487	2.89	2.715	44.9521	109.303	2.6394	316.77337553448
Cond-005236	NPD530	NPD530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3939711915	[Na+].[C@@H]1(NC(=O)/C(=N/OC)/c2ccco2)C(=O)N2C(=C(COC(=O)N)CS[C@H]12)C(=O)[O-]	InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9+;/t10-,14-;/m1./s1	C16H15N4NaO8S	446.367	12	3	201.89	3	9	0	-2.1684	-1.71062	1.79	-0.938000000000001	76.2997	97.8181	2.704	347.730816150224
Cond-005237	NPD5300	NPD5300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5431192661	[C@H]1(NCCc2c1[nH]c1c2cccc1)c1ccccc1	InChI=1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2/t16-/m0/s1	C17H16N2	248.322	2	2	27.82	4	1	0	-0.624	2.96849	3.11	4.92	19.1619	78.0587	1.9681	224.000672048067
Cond-005238	NPD5301	NPD5301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7357798165	CCCCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C15H20N2O/c1-2-3-8-15(18)16-10-9-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)	C15H20N2O	244.332	3	2	44.89	2	7	0	-1.2779	3.17398	2.78	3.388	36.1766	79.2537000000001	2.0482	239.084764300095
Cond-005239	NPD5302	NPD5302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.7119266055	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COS(=O)(=O)C	InChI=1S/C22H30O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h6,8,10,15-17,19,24,26H,4-5,7,9,11-12H2,1-3H3/t15?,16?,17?,19?,20-,21-,22-/m0/s1	C22H30O7S	438.534	7	2	126.35	4	4	0	-0.687900000000005	2.70857	3	0.651	110.3195	111.5056	3.1764	409.137061824997
Cond-005240	NPD5304	NPD5304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.979204893	CC(NCCC(=O)O)C(O)c1ccccc1	InChI=1S/C12H17NO3/c1-9(13-8-7-11(14)15)12(16)10-5-3-2-4-6-10/h2-6,9,12-13,16H,7-8H2,1H3,(H,14,15)	C12H17NO3	223.268	4	3	69.56	1	6	0	-1.1236	1.06559	2.34	2.06	35.0398	63.5843	1.7947	219.67342101705
Cond-005241	NPD5305	NPD5305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.8226299694	COc1c(OC)c2c(cc1)C(O)C(=C(C)N=C2O)C(=O)OC(C)(C)C	InChI=1S/C18H23NO6/c1-9-12(17(22)25-18(2,3)4)14(20)10-7-8-11(23-5)15(24-6)13(10)16(21)19-9/h7-8,14,20H,1-6H3,(H,19,21)	C18H23NO6	349.378	7	2	97.58	2	5	0	0.5115	2.44248	2.67	2.077	69.0214	95.4926000000001	2.6216	332.190632771535
Cond-005242	NPD5306	NPD5306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	13.7590214067	Cc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C18H18N2O2S/c1-13-6-8-14(9-7-13)23(21,22)20-11-10-18-16(12-20)15-4-2-3-5-17(15)19-18/h2-9,19H,10-12H2,1H3	C18H18N2O2S	326.413	4	1	61.55	4	2	0	-0.9797	3.0406	2.89	4.194	32.2797	86.094	2.3899	277.386134132657
Cond-005243	NPD5307	NPD5307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.3620795107	Fc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C17H15FN2O2S/c18-12-5-7-13(8-6-12)23(21,22)20-10-9-17-15(11-20)14-3-1-2-4-16(14)19-17/h1-8,19H,9-11H2	C17H15FN2O2S	330.377	4	1	61.55	4	2	0	-1.142	3.15168	2.67	3.619	27.6501	82.412	2.2667	266.157708357096
Cond-005244	NPD5308	NPD5308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.6165137615	O=N(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C17H15N3O4S/c21-20(22)12-5-7-13(8-6-12)25(23,24)19-10-9-17-15(11-19)14-3-1-2-4-16(14)18-17/h1-8,18H,9-11H2	C17H15N3O4S	357.384	7	1	104.69	4	3	0	-0.9616	2.77978	2.45	3.547	30.6676	90.982	2.4232	286.030904415279
Cond-005245	NPD5309	NPD5309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4122324159	O=S(=O)(N1CCc2c(C1)c1ccccc1[nH]2)c1cnccc1	InChI=1S/C16H15N3O2S/c20-22(21,12-4-3-8-17-10-12)19-9-7-16-14(11-19)13-5-1-2-6-15(13)18-16/h1-6,8,10,18H,7,9,11H2	C16H15N3O2S	313.374	5	1	74.44	4	2	0	-1.6217	2.40758	2.56	2.264	26.7776	80.249	2.2079	253.79092508909
Cond-005246	NPD531	NPD531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9120162342	COc1cc2c([nH]c3c2ncn(CCc2ccc(O)c(O)c2)c3=O)cc1	InChI=1S/C19H17N3O4/c1-26-12-3-4-14-13(9-12)17-18(21-14)19(25)22(10-20-17)7-6-11-2-5-15(23)16(24)8-11/h2-5,8-10,21,23-24H,6-7H2,1H3	C19H17N3O4	351.356	7	3	98.15	4	4	0	-1.7946	2.73537	2.78	2.464	39.9015	102.8246	2.4985	299.477390908613
Cond-005247	NPD5310	NPD5310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4262996942	[C@H]12CCN(C)C[C@H]1c1cc(C)ccc1N2S(=O)(=O)c1cccnc1	InChI=1S/C18H21N3O2S/c1-13-5-6-17-15(10-13)16-12-20(2)9-7-18(16)21(17)24(22,23)14-4-3-8-19-11-14/h3-6,8,10-11,16,18H,7,9,12H2,1-2H3/t16-,18-/m0/s1	C18H21N3O2S	343.443	5	0	61.89	4	2	0	-0.800300000000001	3.1472	2.78	2.728	43.7751	88.747	2.5327	301.919353041624
Cond-005248	NPD5311	NPD5311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5376146789	COc1c(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(cc1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O	InChI=1S/C36H44N2O6/c1-35(2)13-26(39)33(27(40)14-35)32(34-28(41)15-36(3,4)16-29(34)42)22-9-10-30(44-5)24(12-22)20-37-17-21-11-23(19-37)25-7-6-8-31(43)38(25)18-21/h6-10,12,21,23,32,39,41H,11,13-20H2,1-5H3/t21-,23-/m0/s1	C36H44N2O6	600.744	8	2	107.38	6	6	0	0.702299999999995	6.06985000000001	4.54	3.533	148.4694	170.6326	4.6512	594.543446638901
Cond-005249	NPD5312	NPD5312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7021406728	COC(=O)c1c(ccc(OC)c1OC)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C21H22N2O4/c1-25-16-9-8-14(17(20(16)26-2)21(24)27-3)18-19-13(10-11-22-18)12-6-4-5-7-15(12)23-19/h4-9,18,22-23H,10-11H2,1-3H3	C21H22N2O4	366.41	6	2	72.58	4	5	0	-0.716399999999999	2.79539	3.11	3.511	45.7819	105.7897	2.7235	325.70905865298
Cond-005250	NPD5313	NPD5313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1975535168	COc1c(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C30H32N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-32H,11-13,15-18H2,1H3/t19-,21-,29?/m1/s1	C30H32N4O2	480.601	6	2	60.6	7	4	0	-1.4187	4.01336000000001	4.1	3.31	86.0268	144.6947	3.662	443.443693796992
Cond-005251	NPD5314	NPD5314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2428134557	COc1ccc2C3Oc4c(cccc4)C(=O)N3C(=O)c2c1OC	InChI=1S/C17H13NO5/c1-21-12-8-7-10-13(14(12)22-2)16(20)18-15(19)9-5-3-4-6-11(9)23-17(10)18/h3-8,17H,1-2H3	C17H13NO5	311.289	6	0	65.07	4	2	0	-0.8838	2.57379	2.67	2.27	31.8112	84.4275000000001	2.1188	265.218586641906
Cond-005252	NPD5316	NPD5316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3633027523	COc1ccc(/C=N/NC(=O)c2c(Cl)c3c(s2)cccc3)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C29H27ClN4O3S/c1-37-24-10-9-18(13-31-32-29(36)28-27(30)22-5-2-3-7-25(22)38-28)11-21(24)17-33-14-19-12-20(16-33)23-6-4-8-26(35)34(23)15-19/h2-11,13,19-20H,12,14-17H2,1H3,(H,32,36)/b31-13+/t19-,20-/m0/s1	C29H27ClN4O3S	547.068	7	1	102.48	6	7	0	-0.128800000000001	5.36347000000001	3.66	4.804	95.2665	154.9732	3.8883	475.741568998919
Cond-005253	NPD5317	NPD5317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.078899083	C=CCNC(=S)N1CC2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C15H19N3OS/c1-2-6-16-15(20)17-8-11-7-12(10-17)13-4-3-5-14(19)18(13)9-11/h2-5,11-12H,1,6-10H2,(H,16,20)/t11?,12-/m0/s1	C15H19N3OS	289.396	4	1	67.67	3	4	0	0.222800000000002	1.29336	2.56	1.348	84.7318	85.3367	2.2029	278.034089865062
Cond-005254	NPD5318	NPD5318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3877675841	Clc1ccc(NC(=S)N2CC3C[C@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C18H18ClN3OS/c19-14-4-6-15(7-5-14)20-18(24)21-9-12-8-13(11-21)16-2-1-3-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)/t12?,13-/m1/s1	C18H18ClN3OS	359.873	4	1	67.67	4	3	0	0.247999999999999	3.95716	2.78	3.161	75.488	102.7247	2.5534	316.603735410696
Cond-005255	NPD5319	NPD5319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.250764526	COC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C15H20N2O3/c1-20-15(19)5-6-16-8-11-7-12(10-16)13-3-2-4-14(18)17(13)9-11/h2-4,11-12H,5-10H2,1H3/t11-,12+/m0/s1	C15H20N2O3	276.331	5	0	49.85	3	4	0	-0.696899999999999	0.86977	2.56	-0.151	76.0867	76.309	2.1	268.745217701217
Cond-005256	NPD532	NPD532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5260898598	COc1ccccc1CN1C(=O)N(C(C)C)C(N(O)C(=O)NC(C)C)C1(C)C	InChI=1S/C20H32N4O4/c1-13(2)21-18(25)24(27)17-20(5,6)22(19(26)23(17)14(3)4)12-15-10-8-9-11-16(15)28-7/h8-11,13-14,17,27H,12H2,1-7H3,(H,21,25)	C20H32N4O4	392.492	8	2	85.35	2	8	0	-0.9252	3.06909	2.78	2.879	81.8139	110.4932	3.1284	384.828887947447
Cond-005257	NPD5320	NPD5320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0373088685	COc1cc2c([nH]c3c2CCNC3c2c(OC)cccc2)cc1	InChI=1S/C19H20N2O2/c1-22-12-7-8-16-15(11-12)13-9-10-20-18(19(13)21-16)14-5-3-4-6-17(14)23-2/h3-8,11,18,20-21H,9-10H2,1-2H3	C19H20N2O2	308.374	4	2	46.28	4	3	0	-0.7276	4.09669	3.11	3.399	33.7935	95.8167	2.3673	276.173094700924
Cond-005258	NPD5321	NPD5321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.439143731	[C@H]12CCCC[C@]1(O)CCN[C@@H]2c1ccc(Cl)cc1Cl	InChI=1S/C15H19Cl2NO/c16-10-4-5-11(13(17)9-10)14-12-3-1-2-6-15(12,19)7-8-18-14/h4-5,9,12,14,18-19H,1-3,6-8H2/t12-,14-,15+/m1/s1	C15H19Cl2NO	300.223	2	2	32.26	3	1	0	-0.374700000000001	3.608	2.67	3.463	47.9501	77.9525	2.1706	262.326598333595
Cond-005259	NPD5322	NPD5322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5816513761	COc1c(OC)c2c(cc1)C1NC(=O)c3c(sc4c3CCC4)N1C2=O	InChI=1S/C18H16N2O4S/c1-23-10-7-6-9-12(14(10)24-2)17(22)20-15(9)19-16(21)13-8-4-3-5-11(8)25-18(13)20/h6-7,15H,3-5H2,1-2H3,(H,19,21)	C18H16N2O4S	356.396	6	1	96.11	5	2	0	-0.6204	3.36628	2.67	1.444	52.7144	97.9012	2.3987	293.510128832979
Cond-005260	NPD5323	NPD5323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.587767584	COc1ccc2C3OCCCN3C(=O)c2c1OC	InChI=1S/C13H15NO4/c1-16-9-5-4-8-10(11(9)17-2)12(15)14-6-3-7-18-13(8)14/h4-5,13H,3,6-7H2,1-2H3	C13H15NO4	249.263	5	0	48	3	2	0	-1.0251	1.2605	2.34	0.688	39.2057	66.402	1.7771	221.046714941878
Cond-005261	NPD5324	NPD5324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.077675841	COc1c(COc2c(cc(Cl)c(C)c2)C(C)C)cc(cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C29H31ClN2O2/c1-17(2)23-15-24(30)18(3)13-27(23)34-16-20-14-19(9-10-26(20)33-4)28-29-22(11-12-31-28)21-7-5-6-8-25(21)32-29/h5-10,13-15,17,28,31-32H,11-12,16H2,1-4H3	C29H31ClN2O2	475.022	4	2	46.28	5	6	1	1.1409	7.07770000000001	4.1	7.071	58.1945	141.7557	3.6611	433.178173926825
Cond-005262	NPD5325	NPD5325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.803058104	C1(CNc2c1cccc2)C(=O)CCC(=O)O	InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)9-7-13-10-4-2-1-3-8(9)10/h1-4,9,13H,5-7H2,(H,15,16)	C12H13NO3	219.237	4	2	66.4	2	4	0	-0.987499999999999	1.86349	2.34	1.32	33.2975	62.7925	1.6431	204.68050361545
Cond-005263	NPD5326	NPD5326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1706422018	CC(=O)N(CCc1n(=O)cccc1)c1ccccc1	InChI=1S/C15H16N2O2/c1-13(18)16(14-7-3-2-4-8-14)12-10-15-9-5-6-11-17(15)19/h2-9,11H,10,12H2,1H3	C15H16N2O2	256.3	4	0	47.25	2	5	0	-1.2932	2.67658	2.67	3.256	22.4347	77.242	2.0209	242.602073599056
Cond-005264	NPD5328	NPD5328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0535910121	Cc1ccc(CCn2c3c(C[N+](C)(CC(=O)c4ccc(Br)cc4)CC3)c3c2cccc3)cn1	InChI=1S/C28H29BrN3O/c1-20-7-8-21(17-30-20)13-15-31-26-6-4-3-5-24(26)25-18-32(2,16-14-27(25)31)19-28(33)22-9-11-23(29)12-10-22/h3-12,17H,13-16,18-19H2,1-2H3/q+1	C28H29BrN3O+	503.453	4	0	34.89	5	6	1	-0.463300000000001	5.94910000000001	3.99	6.19	54.3343	139.9314	3.5924	420.843044665297
Cond-005265	NPD5329	NPD5329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.670192284	COC1=Nc2[n+](cccc2C)C=C([O-])CC1	InChI=1S/C12H14N2O2/c1-9-4-3-7-14-8-10(15)5-6-11(16-2)13-12(9)14/h3-4,7-8H,5-6H2,1-2H3/b10-8+	C12H14N2O2	218.252	4	0	48.53	2	1	0	-1.6362	1.78371	2.34	2.494	36.6366	62.212	1.6842	206.887037123056
Cond-005266	NPD533	NPD533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.2691066197	CC1(C)CCC[C@]2(C)C(CCOC(=O)Nc3ccccc3)[C@](C)(O)CCC12	InChI=1S/C23H35NO3/c1-21(2)13-8-14-22(3)18(21)11-15-23(4,26)19(22)12-16-27-20(25)24-17-9-6-5-7-10-17/h5-7,9-10,18-19,26H,8,11-16H2,1-4H3,(H,24,25)/t18?,19?,22-,23+/m0/s1	C23H35NO3	373.529	4	2	58.56	3	6	1	0.7031	5.81688000000001	3.55	7.726	77.6626	111.7035	3.1274	385.216334499986
Cond-005267	NPD5330	NPD5330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2177028246	COC(=O)c1ccc(C[N+]2(C)CCc3c(C2)c2c([nH]3)cccc2)o1	InChI=1S/C19H21N2O3/c1-21(11-13-7-8-18(24-13)19(22)23-2)10-9-17-15(12-21)14-5-3-4-6-16(14)20-17/h3-8,20H,9-12H2,1-2H3/q+1	C19H21N2O3+	325.382	5	1	55.23	4	4	0	-2.1581	2.44388	3	2.851	39.6524	95.9214	2.4475	286.281550751885
Cond-005268	NPD5331	NPD5331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.372066386	O=c1oc(Cc2ccccc2)nc2c1cccc2	InChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)16-14(18-15)10-11-6-2-1-3-7-11/h1-9H,10H2	C15H11NO2	237.253	3	0	38.66	3	2	1	-0.0216	2.99578	2.78	5.508	17.0395	72.935	1.7695	216.612395989289
Cond-005269	NPD5332	NPD5332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.740891478	[Na+].COc1c(OC)cc(c(CO)c1)C1(CCCC1)C(=O)[O-]	InChI=1S/C15H20O5.Na/c1-19-12-7-10(9-16)11(8-13(12)20-2)15(14(17)18)5-3-4-6-15;/h7-8,16H,3-6,9H2,1-2H3,(H,17,18);/q;+1/p-1	C15H19NaO5	302.298	5	1	78.82	2	5	0	-2.2909	0.652190000000002	2.56	0.927999999999999	45.0244	73.1088	2.1049	264.470380036406
Cond-005270	NPD5333	NPD5333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.111325031	COc1c(OC)cc2[C@H](C)N(CCc2c1)C(=O)COc1ccccc1	InChI=1S/C20H23NO4/c1-14-17-12-19(24-3)18(23-2)11-15(17)9-10-21(14)20(22)13-25-16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3/t14-/m0/s1	C20H23NO4	341.401	5	0	48	3	6	0	-0.8262	3.62208	3.11	3.561	46.7148	99.8410000000001	2.6344	323.309231220546
Cond-005271	NPD5334	NPD5334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.7076499403	Brc1cc2c(cc1)n(CC(=O)NCCc1c[nH]c3c1cccc3)cc2	InChI=1S/C20H18BrN3O/c21-16-5-6-19-14(11-16)8-10-24(19)13-20(25)22-9-7-15-12-23-18-4-2-1-3-17(15)18/h1-6,8,10-12,23H,7,9,13H2,(H,22,25)	C20H18BrN3O	396.28	4	2	49.82	4	6	0	-0.0877999999999999	4.80637	3.11	4.371	35.9646	110.4077	2.6383	298.786314410363
Cond-005272	NPD5335	NPD5335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.045548705	C[C@@H]1CCC2[C@](C)(COC(=O)c3ccccc3)[C@H](CC[C@]2(C)[C@]21CC1(COC(=O)C1)CO2)OC(=O)c1ccccc1	InChI=1S/C34H40O7/c1-23-14-15-26-31(2,20-39-29(36)24-10-6-4-7-11-24)27(41-30(37)25-12-8-5-9-13-25)16-17-32(26,3)34(23)19-33(22-40-34)18-28(35)38-21-33/h4-13,23,26-27H,14-22H2,1-3H3/t23-,26?,27+,31+,32+,33?,34-/m1/s1	C34H40O7	560.677	7	0	88.13	6	7	1	0.0908000000000036	5.98229000000001	4.43	9.009	97.4968	154.0365	4.2715	538.484642372197
Cond-005273	NPD5336	NPD5336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4614091097	CCOC(=O)c1c(CCN2C(=O)c3c(cccc3)C2=O)c2c([nH]1)c(Br)cc1c2OCCO1	InChI=1S/C23H19BrN2O6/c1-2-30-23(29)18-14(7-8-26-21(27)12-5-3-4-6-13(12)22(26)28)17-19(25-18)15(24)11-16-20(17)32-10-9-31-16/h3-6,11,25H,2,7-10H2,1H3	C23H19BrN2O6	499.311	8	1	97.93	5	6	0	-0.0461000000000003	4.10947	3	3.355	62.3909	125.014	3.1031	379.535724181002
Cond-005274	NPD5337	NPD5337	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.8616479419	[C@@H](NC(=O)OC(C)(C)C)(C(C)C)C(=O)Oc1cc2c(cc1CCC)c(=O)c(co2)c1ccccn1	InChI=1S/C27H32N2O6/c1-7-10-17-13-18-22(33-15-19(24(18)30)20-11-8-9-12-28-20)14-21(17)34-25(31)23(16(2)3)29-26(32)35-27(4,5)6/h8-9,11-16,23H,7,10H2,1-6H3,(H,29,32)/t23-/m1/s1	C27H32N2O6	480.553	8	1	103.82	3	11	2	0.433299999999999	5.52186000000001	3.55	6.244	81.1566	137.1542	3.7089	465.048961108503
Cond-005275	NPD5338	NPD5338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.070723564	[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1CCCC)c(=O)c(co2)c1csc(C)n1	InChI=1S/C36H42N2O9S/c1-9-10-11-23-17-25-30(43-19-26(31(25)39)28-20-48-21(2)37-28)18-29(23)45-32(40)27(38-33(41)46-35(3,4)5)16-22-12-14-24(15-13-22)44-34(42)47-36(6,7)8/h12-15,17-20,27H,9-11,16H2,1-8H3,(H,38,41)/t27-/m1/s1	C36H42N2O9S	678.792	11	1	167.59	4	17	2	1.77	8.86277000000001	4.1	9.436	115.5015	188.826199999999	5.07900000000001	634.426692097384
Cond-005276	NPD534	NPD534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.5995460134	COC1=C(S[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)c2c(cccc2)C1=O	InChI=1S/C25H26O12S/c1-11(26)33-10-17-20(34-12(2)27)22(35-13(3)28)23(36-14(4)29)25(37-17)38-24-19(31)16-9-7-6-8-15(16)18(30)21(24)32-5/h6-9,17,20,22-23,25H,10H2,1-5H3/t17-,20-,22+,23-,25+/m1/s1	C25H26O12S	550.532	12	0	183.1	3	12	2	-0.9513	1.89998	2.78	2.383	104.7401	131.658	3.7432	490.613855701402
Cond-005277	NPD5340	NPD5340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9000804231	[C@H](Cc1ccc(O)cc1)(NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2)C(=O)OC	InChI=1S/C27H23NO8/c1-33-27(32)22(13-17-7-9-18(29)10-8-17)28-25(30)16-34-20-11-12-21-23(14-20)35-15-24(26(21)31)36-19-5-3-2-4-6-19/h2-12,14-15,22,29H,13,16H2,1H3,(H,28,30)/t22-/m1/s1	C27H23NO8	489.473	9	2	120.39	4	11	2	-2.6065	4.82945000000001	3.44	5.094	53.836	136.962	3.4889	440.466819498258
Cond-005278	NPD5341	NPD5341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.276192333	[C@H](NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2)(C(C)C)C(=O)OC	InChI=1S/C23H23NO7/c1-14(2)21(23(27)28-3)24-20(25)13-29-16-9-10-17-18(11-16)30-12-19(22(17)26)31-15-7-5-4-6-8-15/h4-12,14,21H,13H2,1-3H3,(H,24,25)/t21-/m0/s1	C23H23NO7	425.431	8	1	100.16	3	10	0	-1.6357	4.03636000000001	3.11	4.502	60.6738	117.9282	3.1042	393.65848909743
Cond-005279	NPD5342	NPD5342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2493115297	[C@H](NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2)(C(C)CC)C(=O)OC	InChI=1S/C24H25NO7/c1-4-15(2)22(24(28)29-3)25-21(26)14-30-17-10-11-18-19(12-17)31-13-20(23(18)27)32-16-8-6-5-7-9-16/h5-13,15,22H,4,14H2,1-3H3,(H,25,26)/t15?,22-/m0/s1	C24H25NO7	439.458	8	1	100.16	3	11	2	-2.3119	4.42646000000001	3.22	5.071	63.7516	122.5452	3.2451	410.954473723297
Cond-005280	NPD5343	NPD5343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9447517851	[C@H](NC(=O)COc1cc(O)c(cc1)C(=O)COc1ccccc1)(C(C)CC)C(=O)O	InChI=1S/C22H25NO7/c1-3-14(2)21(22(27)28)23-20(26)13-30-16-9-10-17(18(24)11-16)19(25)12-29-15-7-5-4-6-8-15/h4-11,14,21,24H,3,12-13H2,1-2H3,(H,23,26)(H,27,28)/t14?,21-/m0/s1	C22H25NO7	415.436	8	3	122.16	2	12	1	-2.5709	3.88367000000001	3	3.649	55.602	116.2558	3.1149	391.355421873163
Cond-005281	NPD5344	NPD5344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4963322204	[C@H](Cc1ccccc1)(NCc1c(O)ccc2c1oc(C(=O)O)c(c2=O)c1ccc(F)cc1)C(=O)OC	InChI=1S/C27H22FNO7/c1-35-27(34)20(13-15-5-3-2-4-6-15)29-14-19-21(30)12-11-18-23(31)22(16-7-9-17(28)10-8-16)25(26(32)33)36-24(18)19/h2-12,20,29-30H,13-14H2,1H3,(H,32,33)/t20-/m1/s1	C27H22FNO7	491.464	8	3	122.16	4	9	1	-1.3052	4.11397	3.44	6.251	54.2365	132.982	3.44790000000001	437.744151648003
Cond-005282	NPD5345	NPD5345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7692832598	OC(COCC=C)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C17H24N2O3/c1-2-6-22-12-15(20)11-18-8-13-7-14(10-18)16-4-3-5-17(21)19(16)9-13/h2-5,13-15,20H,1,6-12H2/t13-,14-,15?/m1/s1	C17H24N2O3	304.384	5	1	53.01	3	6	0	-0.677	0.79636	2.78	-0.259	86.7023	86.4288	2.3818	303.337186952951
Cond-005283	NPD5346	NPD5346	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.2392708308	COc1cc(NC(=O)[C@@H](NC(=O)c2cc3ccccc3o2)C(C)C)ccc1	InChI=1S/C21H22N2O4/c1-13(2)19(21(25)22-15-8-6-9-16(12-15)26-3)23-20(24)18-11-14-7-4-5-10-17(14)27-18/h4-13,19H,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1	C21H22N2O4	366.41	6	2	80.57	3	8	0	-1.0597	4.32907	3.11	4.302	41.4085	109.3574	2.7891	335.42905865298
Cond-005284	NPD5347	NPD5347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9780664343	CCN(CC)CC1CCc2c(c3c(cccc3)n2C)C1=O	InChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-11-16-17(18(13)21)14-8-6-7-9-15(14)19(16)3/h6-9,13H,4-5,10-12H2,1-3H3	C18H24N2O	284.396	3	0	25.24	3	4	0	0.948399999999998	3.63878	3.11	3.17	54.0571	90.9110000000001	2.3623	278.616259476896
Cond-005285	NPD5348	NPD5348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.3793532035	O=c1n2c(CCc3c2cccc3)nc2c1cccc2	InChI=1S/C16H12N2O/c19-16-12-6-2-3-7-13(12)17-15-10-9-11-5-1-4-8-14(11)18(15)16/h1-8H,9-10H2	C16H12N2O	248.279	3	0	32.67	4	0	0	-0.5029	3.71637	2.89	4.169	23.0547	79.37	1.8429	223.758455421962
Cond-005286	NPD5349	NPD5349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1989618112	CN1CCc2c(C1)cc(/C=C/C(=O)c1c(O)cc(C)oc1=O)cc2	InChI=1S/C19H19NO4/c1-12-9-17(22)18(19(23)24-12)16(21)6-4-13-3-5-14-7-8-20(2)11-15(14)10-13/h3-6,9-10,22H,7-8,11H2,1-2H3/b6-4+	C19H19NO4	325.358	5	1	66.84	3	3	0	0.570099999999999	2.09356	3	3.487	70.4349	90.9098	2.4505	314.276787893879
Cond-005287	NPD535	NPD535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2504892368	CCCCCCCCCCCC(=O)S[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1	InChI=1S/C39H68OS/c1-5-7-9-11-13-14-15-17-19-21-37(40)41-33-26-28-39(4)32(30-33)22-24-34-35-25-23-31(20-18-16-12-10-8-6-2)38(35,3)29-27-36(34)39/h22,31,33-36H,5-21,23-30H2,1-4H3/t31?,33-,34?,35?,36?,38+,39-/m0/s1	C39H68OS	585.022	1	0	42.37	4	19	2	-2.6461	13.02538	5.53	16.986	154.429	184.388999999999	5.30550000000001	655.700357662961
Cond-005288	NPD5350	NPD5350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1470036312	C[N+](=c1oc2c(cc1)cc1CCCN3CCCc2c13)C	InChI=1S/C17H21N2O/c1-18(2)15-8-7-13-11-12-5-3-9-19-10-4-6-14(16(12)19)17(13)20-15/h7-8,11H,3-6,9-10H2,1-2H3/q+1	C17H21N2O+	269.361	3	0	15.48	4	0	0	-2.0334	3.16577	3	2.978	53.8017	85.3710000000001	2.1343	261.182045500629
Cond-005289	NPD5352	NPD5352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4630175712	CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCc1ccccc1)C(=O)C	InChI=1S/C33H42O5/c1-21-19-26-27(14-17-32(5)28(26)15-18-33(32,22(2)34)38-23(3)35)31(4)16-13-25(20-29(21)31)37-30(36)12-11-24-9-7-6-8-10-24/h6-10,19-20,25-28H,11-18H2,1-5H3/t25?,26?,27?,28?,31-,32+,33+/m1/s1	C33H42O5	518.684	5	0	69.67	5	8	1	1.5672	6.63707000000001	4.54	8.791	120.5545	148.75	4.1648	529.501121746808
Cond-005290	NPD5353	NPD5353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9252552823	CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3/t18?,19?,20?,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.2109	4.66157000000001	3.66	4.098	106.6698	109.114	3.0756	396.212868216647
Cond-005291	NPD5354	NPD5354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3224721566	C[C@]12CCC3C(C[C@H]4OC[C@]53CCC(O)C[C@]45Br)C1CCC2=O	InChI=1S/C19H27BrO3/c1-17-6-5-14-12(13(17)2-3-15(17)22)8-16-19(20)9-11(21)4-7-18(14,19)10-23-16/h11-14,16,21H,2-10H2,1H3/t11?,12?,13?,14?,16-,17+,18+,19+/m1/s1	C19H27BrO3	383.32	3	1	46.53	5	0	0	0.0581999999999969	3.69929	3.11	2.607	87.6303	93.6008	2.5508	318.415713466718
Cond-005292	NPD5355	NPD5355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.494723759	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O	InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16?,17?,22?,23-,24-,25-/m0/s1	C25H32O8	460.517	8	2	135.04	4	7	0	-0.813699999999999	2.56558	3.33	-0.179	115.5275	117.8586	3.4083	446.033300943958
Cond-005293	NPD5356	NPD5356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7058708844	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(=O)O	InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17?,18?,19?,20?,24-,25-/m0/s1	C25H34O6	430.534	6	1	97.74	4	7	0	0.4442	4.27168000000001	3.55	3.899	113.6548	116.0088	3.3339	431.089306243636
Cond-005294	NPD5357	NPD5357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.114541954	CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)C(C[C@]12C)OC(=O)C)OC(=O)C	InChI=1S/C27H33BrO8/c1-15(29)34-14-22(33)26(36-17(3)31)11-9-20-21-7-6-18-12-19(32)8-10-24(18,4)27(21,28)23(35-16(2)30)13-25(20,26)5/h8,10,12,20-21,23H,6-7,9,11,13-14H2,1-5H3/t20?,21?,23?,24-,25-,26-,27-/m0/s1	C27H33BrO8	565.45	8	0	113.04	4	8	0	0.917799999999998	3.87377	3.44	3.107	131.9793	134.561	3.8221	497.272430472458
Cond-005295	NPD5358	NPD5358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.962639826	CC(=O)OC1C[C@@]2(C)C(CC=C2C(=O)CO)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C23H27FO5/c1-13(26)29-20-11-21(2)16(6-7-18(21)19(28)12-25)17-5-4-14-10-15(27)8-9-22(14,3)23(17,20)24/h7-10,16-17,20,25H,4-6,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1	C23H27FO5	402.456	5	1	80.67	4	4	0	0.319100000000004	3.03816	3.33	1.992	106.1424	105.8938	2.9681	391.138210440847
Cond-005296	NPD5359	NPD5359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8277727683	CCCC(=O)OC1C[C@@]2(C)C(CC=C2C(=O)COC(=O)C)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C27H33FO6/c1-5-6-24(32)34-23-14-25(3)19(9-10-21(25)22(31)15-33-16(2)29)20-8-7-17-13-18(30)11-12-26(17,4)27(20,23)28/h10-13,19-20,23H,5-9,14-15H2,1-4H3/t19?,20?,23?,25-,26-,27-/m0/s1	C27H33FO6	472.546	6	0	86.74	4	8	0	0.4864	4.38916000000001	3.66	3.554	123.229	124.675	3.5474	466.475916944076
Cond-005297	NPD536	NPD536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.513346972	COc1ccccc1C1CC(=Nc2c(S1)cccc2)c1c(O)cc(C)oc1=O	InChI=1S/C22H19NO4S/c1-13-11-17(24)21(22(25)27-13)16-12-20(14-7-3-5-9-18(14)26-2)28-19-10-6-4-8-15(19)23-16/h3-11,20,24H,12H2,1-2H3	C22H19NO4S	393.456	5	1	93.42	4	3	0	0.496099999999999	5.47586	3.22	4.915	62.034	114.3168	2.8421	356.144389726679
Cond-005298	NPD5360	NPD5360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5686398752	[Na+].[Na+].C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	InChI=1S/C21H31O7P.2Na/c1-19-8-5-14(22)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18(23)12-28-29(25,26)27;;/h11,15-17,24H,3-10,12H2,1-2H3,(H2,25,26,27);;/q;2*+1/p-2/t15?,16?,17?,19-,20-,21-;;/m0../s1	C21H29Na2O7P	470.404	7	1	136.6	4	4	0	-1.6467	0.843880000000003	2.89	0.769	100.5997	96.9648	3.0766	393.15930654953
Cond-005299	NPD5361	NPD5361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.001632832	CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(=O)O	InChI=1S/C27H36O8/c1-16(28)35-27(22(30)15-34-24(33)7-6-23(31)32)13-10-21-19-5-4-17-14-18(29)8-11-25(17,2)20(19)9-12-26(21,27)3/h14,19-21H,4-13,15H2,1-3H3,(H,31,32)/t19?,20?,21?,25-,26-,27-/m0/s1	C27H36O8	488.57	8	1	124.04	4	9	0	0.222799999999996	3.95738000000001	3.55	2.848	124.0523	127.0158	3.6901	480.625270195692
Cond-005300	NPD5362	NPD5362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8821923817	C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)C)OP(=O)(O)O	InChI=1S/C22H35O6P/c1-13-11-19-17-6-5-15-12-16(28-29(25,26)27)7-9-20(15,3)18(17)8-10-21(19,4)22(13,24)14(2)23/h5,13,16-19,24H,6-12H2,1-4H3,(H2,25,26,27)/t13-,16?,17?,18?,19?,20+,21+,22+/m1/s1	C22H35O6P	426.483	6	3	113.87	4	3	0	-0.590699999999999	4.15328000000001	3.11	2.11	107.4178	111.7709	3.2448	406.937981876436
Cond-005301	NPD5364	NPD5364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8667657739	CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H33FO5/c1-21(2)29-20-11-16-14-10-18(25)17-9-13(27)5-7-22(17,3)15(14)6-8-23(16,4)24(20,30-21)19(28)12-26/h9,14-16,18,20,26H,5-8,10-12H2,1-4H3/t14?,15?,16?,18-,20+,22+,23-,24+/m0/s1	C24H33FO5	420.514	5	1	72.83	5	2	0	-0.019700000000005	3.68798	3.44	2.106	107.9787	110.2058	3.1294	403.987112468315
Cond-005302	NPD5365	NPD5365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7432554286	[Na+].[Na+].C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OP(=O)([O-])[O-]	InChI=1S/C19H29O5P.2Na/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18;;/h11,14-17H,3-10H2,1-2H3,(H2,21,22,23);;/q;2*+1/p-2/t14?,15?,16?,17?,18-,19-;;/m0../s1	C19H27Na2O5P	412.368	5	0	99.3	4	2	0	-1.0299	1.91228000000001	2.89	2.406	87.6818	85.929	2.7204	343.623342597474
Cond-005303	NPD5366	NPD5366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1794653084	C[C@]12CCC3C(CCC4=CC(=C)C=C[C@]34C)C1CCC2=O	InChI=1S/C20H26O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h8,10,12,15-17H,1,4-7,9,11H2,2-3H3/t15?,16?,17?,19-,20-/m0/s1	C20H26O	282.42	1	0	17.07	4	0	1	2.0842	4.86296000000001	3.55	5.581	87.5194	88.189	2.3789	303.294708312296
Cond-005304	NPD5367	NPD5367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7659688543	CC1CC2C3CC(Cl)[C@@]4(Cl)CC(CC[C@]4(C)C3CC[C@]2(C)C1C(=O)C)OC(=O)C	InChI=1S/C24H36Cl2O3/c1-13-10-19-17-11-20(25)24(26)12-16(29-15(3)28)6-9-23(24,5)18(17)7-8-22(19,4)21(13)14(2)27/h13,16-21H,6-12H2,1-5H3/t13?,16?,17?,18?,19?,20?,21?,22-,23+,24-/m0/s1	C24H36Cl2O3	443.447	3	0	43.37	4	3	1	1.5922	6.22459000000001	3.55	6.74	112.0304	119.36	3.3907	425.754153159353
Cond-005305	NPD5368	NPD5368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0982623742	CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C23H32O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-19,26,28H,4-9,11-12H2,1-3H3/t16?,17?,18?,19-,21+,22+,23+/m1/s1	C23H32O6	404.497	6	2	100.9	4	4	0	-0.742500000000001	2.51248	3.33	2.566	105.5182	107.6626	3.0951	399.133795692702
Cond-005306	NPD5369	NPD5369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.5252845271	[C@@H]12CCC3C4C[C@H]5OC(C)(C)O[C@@]5(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C24H38O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h15-20,26H,6-13H2,1-5H3/t15-,16?,17?,18?,19?,20+,22-,23-,24+/m0/s1	C24H38O4	390.556	4	1	55.76	5	1	1	-0.307100000000004	4.71309000000001	3.66	5.119	103.668	109.8088	3.139	394.402244319047
Cond-005307	NPD537	NPD537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8824405454	COc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O	InChI=1S/C31H32N4O5/c1-40-26-12-6-5-10-23(26)15-31(28(37)32-30(39)35(29(31)38)17-21-8-3-2-4-9-21)20-33-16-22-14-24(19-33)25-11-7-13-27(36)34(25)18-22/h2-13,22,24H,14-20H2,1H3,(H,32,37,39)/t22-,24+,31?/m1/s1	C31H32N4O5	540.61	9	1	99.26	6	7	0	-1.5714	2.48347	3.88	3.677	98.6242	148.5817	4.0016	505.093899823742
Cond-005308	NPD5370	NPD5370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4313113835	[C@@H]12CCC3C4CC5OC(CCC(C)CN(C(=O)C)C(=O)C)[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C33H53NO5/c1-19(18-34(21(3)35)22(4)36)8-11-29-20(2)31-30(39-29)17-28-26-10-9-24-16-25(38-23(5)37)12-14-32(24,6)27(26)13-15-33(28,31)7/h19-20,24-31H,8-18H2,1-7H3/t19?,20-,24+,25?,26?,27?,28?,29?,30?,31?,32+,33+/m1/s1	C33H53NO5	543.778	6	0	72.91	5	9	1	0.0650999999999998	6.63559000000001	4.43	8.407	143.3778	153.688	4.4796	564.580175458974
Cond-005309	NPD5371	NPD5371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	50.0280262228	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]54CCC(=O)O5)C3[C@@H](CC2=C1)SC(=O)C	InChI=1S/C26H36O5S/c1-15(27)30-18-5-9-24(3)17(13-18)14-21(32-16(2)28)23-19(24)6-10-25(4)20(23)7-11-26(25)12-8-22(29)31-26/h13,18-21,23H,5-12,14H2,1-4H3/t18?,19?,20?,21-,23?,24+,25+,26-/m1/s1	C26H36O5S	460.626	5	0	94.97	5	4	0	1.3173	5.37498000000001	3.66	4.458	120.4225	125.73	3.514	448.384088226542
Cond-005310	NPD5372	NPD5372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.2789218434	CC(CCC(=O)/C(=C/1\C(=O)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)/C)NC(=O)C	InChI=1S/C28H41NO4/c1-16(29-18(3)30)6-9-24(32)17(2)26-25(33)15-23-21-8-7-19-14-20(31)10-12-27(19,4)22(21)11-13-28(23,26)5/h7,16,20-23,31H,6,8-15H2,1-5H3,(H,29,30)/b26-17+/t16?,20?,21?,22?,23?,27-,28-/m0/s1	C28H41NO4	455.629	5	2	83.47	4	6	0	-0.503000000000006	4.76577000000001	3.99	3.532	126.3248	131.0225	3.739	476.393566928281
Cond-005311	NPD5373	NPD5373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8074232934	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CC=C3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h10,17-18,20-22,24-26H,6-9,11-16H2,1-5H3/t17?,18-,20-,21?,22?,24?,25?,26?,27-,28-,29+/m0/s1	C29H44O4	456.657	4	0	44.76	6	2	1	1.3014	6.44478000000001	4.21	6.777	122.4009	130.221	3.6919	465.889250046781
Cond-005312	NPD5374	NPD5374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0210318524	[C@@H]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CC=C3[C@@]1(C)CCC(C2)OC(=O)CC	InChI=1S/C30H46O4/c1-6-26(31)33-21-10-12-28(4)20(15-21)7-8-22-23(28)11-13-29(5)24(22)16-25-27(29)19(3)30(34-25)14-9-18(2)17-32-30/h11,18-22,24-25,27H,6-10,12-17H2,1-5H3/t18?,19-,20-,21?,22?,24?,25?,27?,28-,29-,30+/m0/s1	C30H46O4	470.684	4	0	44.76	6	3	1	1.3776	6.83488000000001	4.32	7.03	127.4244	134.838	3.8328	483.185234672648
Cond-005313	NPD5376	NPD5376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.16167475	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3C[C@@H]3O[C@]23C1	InChI=1S/C21H30O4/c1-12(22)24-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)23)14(16)10-18-21(20,11-13)25-18/h13-16,18H,4-11H2,1-3H3/t13?,14?,15?,16?,18-,19-,20+,21-/m0/s1	C21H30O4	346.46	4	0	55.9	5	2	0	0.178899999999996	3.89509	3.33	2.852	88.9726	95.028	2.6733	339.877831740647
Cond-005314	NPD5377	NPD5377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.9416079741	[C@@H]12CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]1(C)CC=CC2	InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14?,15?,16?,18+,19+/m1/s1	C19H28O	272.425	1	0	17.07	4	0	1	1.5708	4.92438	3.44	5.869	81.503	84.2300000000001	2.324	291.271641088029
Cond-005315	NPD5378	NPD5378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9430458412	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC(Cl)[C@@]2(O)C1	InChI=1S/C21H31ClO4/c1-12(23)26-13-6-9-20(3)16-7-8-19(2)15(4-5-18(19)24)14(16)10-17(22)21(20,25)11-13/h13-17,25H,4-11H2,1-3H3/t13?,14?,15?,16?,17?,19-,20+,21-/m0/s1	C21H31ClO4	382.921	4	1	63.6	4	2	0	0.616999999999996	4.09599	3.22	3.145	95.5337	102.0148	2.9043	367.44535821188
Cond-005316	NPD5379	NPD5379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.7372846246	COC1=CC2=C(CC3C4CC[C@@]5(OCOC65COCO6)[C@@]4(C)CC(OC(=O)C(F)(F)F)C3[C@@]2(C)CC1)C=O	InChI=1S/C27H33F3O8/c1-23-6-4-16(33-3)9-19(23)15(11-31)8-17-18-5-7-25(26(37-14-35-25)12-34-13-36-26)24(18,2)10-20(21(17)23)38-22(32)27(28,29)30/h9,11,17-18,20-21H,4-8,10,12-14H2,1-3H3/t17?,18?,20?,21?,23-,24-,25+,26?/m0/s1	C27H33F3O8	542.541	8	0	89.52	6	5	0	1.3338	4.27247	3.22	2.894	125.5532	125.609	3.612	479.387946746611
Cond-005317	NPD538	NPD538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.0495049505	COC(=O)COc1c(ccc(OC)c1)C(=O)/C=C/c1ccc2OCCOc2c1	InChI=1S/C21H20O7/c1-24-15-5-6-16(19(12-15)28-13-21(23)25-2)17(22)7-3-14-4-8-18-20(11-14)27-10-9-26-18/h3-8,11-12H,9-10,13H2,1-2H3/b7-3+	C21H20O7	384.379	7	0	80.29	3	8	0	-0.584200000000001	3.20077	3	2.73	53.7374	105.322	2.7656	350.70621833833
Cond-005318	NPD5380	NPD5380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.482611557	CC(C)CCCC(C)C1CCC2C3CC=C4CC(Cl)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19?,21?,22?,23?,24?,25?,26-,27+/m0/s1	C27H45Cl	405.099	0	0	0	4	5	1	2.7594	8.56139000000001	4.32	11.829	118.2256	122.417	3.5579	438.696817865636
Cond-005319	NPD5381	NPD5381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	111.519996101	CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O	InChI=1S/C27H40N6O8/c1-27(2,3)41-26(39)32-19(15-21(34)40-16-17-9-5-4-6-10-17)23(36)33-14-8-12-20(33)22(35)31-18(24(37)38)11-7-13-30-25(28)29/h4-6,9-10,18-20H,7-8,11-16H2,1-3H3,(H,31,35)(H,32,39)(H,37,38)(H4,28,29,30)	C27H40N6O8	576.642	14	7	213.24	2	20	3	-2.6741	0.0953600000000003	2.89	0.79	108.1876	149.563	4.3771	552.509372743892
Cond-005320	NPD5382	NPD5382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.683254941	CC(C)(C)OC(=O)CCC(NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O	InChI=1S/C30H44N4O11/c1-29(2,3)44-23(36)15-13-20(27(40)41)33-25(38)19(12-14-22(31)35)32-26(39)21(16-24(37)45-30(4,5)6)34-28(42)43-17-18-10-8-7-9-11-18/h7-11,19-21H,12-17H2,1-6H3,(H2,31,35)(H,32,39)(H,33,38)(H,34,42)(H,40,41)	C30H44N4O11	636.691	15	6	229.52	1	24	2	-1.2745	0.713290000000001	3.11	2.674	124.0724	161.1153	4.84190000000001	618.49448630684
Cond-005321	NPD5383	NPD5383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.307143031	CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)N)C(=O)O	InChI=1S/C30H44N4O11/c1-29(2,3)44-23(36)15-13-19(34-28(42)43-17-18-10-8-7-9-11-18)25(38)33-21(16-24(37)45-30(4,5)6)26(39)32-20(27(40)41)12-14-22(31)35/h7-11,19-21H,12-17H2,1-6H3,(H2,31,35)(H,32,39)(H,33,38)(H,34,42)(H,40,41)	C30H44N4O11	636.691	15	6	229.52	1	24	2	-1.2745	0.713290000000001	3.11	2.674	124.0724	161.1153	4.84190000000001	618.49448630684
Cond-005322	NPD5384	NPD5384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.6310043136	[C@@H]12CCC3C4CCC5(OCCO5)[C@@]4(C)CCC3[C@@]1(C)CC=CC2	InChI=1S/C21H32O2/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)22-13-14-23-21/h3-4,15-18H,5-14H2,1-2H3/t15-,16?,17?,18?,19+,20+/m1/s1	C21H32O2	316.478	2	0	18.46	5	0	1	1.2468	4.86449000000001	3.55	6.726	89.4826	90.6150000000001	2.5989	324.933837040324
Cond-005323	NPD5385	NPD5385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.475227256	[C@@H]12CCC3C4C[C@H]5O[C@@]5(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C21H32O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h13-18,23H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,19-,20-,21+/m0/s1	C21H32O3	332.477	3	1	49.83	5	1	0	-0.275600000000003	3.96039	3.44	4.295	87.9509	94.6448000000001	2.6576	333.724063740885
Cond-005324	NPD5386	NPD5386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.3572977847	CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16?,17?,18?,21-,22+,23+/m1/s1	C23H29ClO4	404.927	4	0	60.44	4	3	0	1.4861	4.83797	3.44	3.39	108.793	109.293	3.0571	394.127951361213
Cond-005325	NPD5388	NPD5388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0209343699	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]2(O)C#C	InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,5,15-18,22-23H,6-13H2,2-3H3/t15?,16?,17?,18?,19-,20-,21-/m0/s1	C21H30O2	314.462	2	2	40.46	4	0	0	0.679299999999997	3.68018000000001	3.55	3.663	89.6152	90.5776000000001	2.6215	332.017378339524
Cond-005326	NPD5389	NPD5389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3378987644	CC(=O)OCC(=O)[C@@]12O[C@@H]1CC1C3CC(F)[C@@]4(Br)CC(O)CC[C@]4(C)C3CC[C@]21C	InChI=1S/C23H32BrFO5/c1-12(26)29-11-18(28)23-19(30-23)9-16-14-8-17(25)22(24)10-13(27)4-6-20(22,2)15(14)5-7-21(16,23)3/h13-17,19,27H,4-11H2,1-3H3/t13?,14?,15?,16?,17?,19-,20-,21+,22+,23-/m1/s1	C23H32BrFO5	487.4	5	1	76.13	5	4	0	0.515199999999996	3.96909	3.22	3.593	106.7225	114.0508	3.2065	408.611205520814
Cond-005327	NPD539	NPD539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7031707438	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1)OC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C42H58O5/c1-26(2)8-6-9-27(3)28-12-17-36-35-15-13-29-22-31(18-21-42(29,5)37(35)19-20-41(36,4)24-28)46-39(43)25-45-30-14-16-33-32-10-7-11-34(32)40(44)47-38(33)23-30/h13-14,16,23,26-28,31,35-37H,6-12,15,17-22,24-25H2,1-5H3/t27?,28?,31?,35?,36?,37?,41-,42+/m1/s1	C42H58O5	642.907	5	0	61.83	7	10	1	1.4398	10.74336	5.53	13.602	155.8798	189.857999999999	5.25870000000001	663.088524678805
Cond-005328	NPD5390	NPD5390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.898471962	CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)OS(=O)(=O)c1ccc(C)cc1	InChI=1S/C28H38O5S/c1-18-5-8-22(9-6-18)34(30,31)33-26-12-11-24-23-10-7-20-17-21(32-19(2)29)13-15-27(20,3)25(23)14-16-28(24,26)4/h5-9,21,23-26H,10-17H2,1-4H3/t21?,23?,24?,25?,26?,27-,28-/m0/s1	C28H38O5S	486.663	5	0	78.05	5	5	1	0.693899999999998	6.35699000000001	3.88	6.398	103.4865	128.067	3.7528	469.439598777475
Cond-005329	NPD5391	NPD5391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.660444033	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)c1ccc(OCCC)cc1	InChI=1S/C21H32NO3/c1-3-15-24-19-11-9-17(10-12-19)21(23)25-16-18-7-6-14-22(2)13-5-4-8-20(18)22/h9-12,18,20H,3-8,13-16H2,1-2H3/q+1/t18-,20+,22?/m0/s1	C21H32NO3+	346.484	4	0	35.53	3	7	0	-3.03	4.00969000000001	3.33	3.992	63.5655	101.8134	2.8671	351.942594598652
Cond-005330	NPD5392	NPD5392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.601954524	[C@@H]12CCCC[N+]1(C)CCC[C@@H]2C(=O)OCC	InChI=1S/C13H24NO2/c1-3-16-13(15)11-7-6-10-14(2)9-5-4-8-12(11)14/h11-12H,3-10H2,1-2H3/q+1/t11-,12-,14?/m0/s1	C13H24NO2+	226.335	3	0	26.3	2	3	0	-2.1483	2.19249	2.56	1.433	54.521	66.1574000000001	1.9188	235.950325694356
Cond-005331	NPD5393	NPD5393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5563327078	CC(C)Cc1c(O)c2c(ccc(Br)c2)nc1C	InChI=1S/C14H16BrNO/c1-8(2)6-11-9(3)16-13-5-4-10(15)7-12(13)14(11)17/h4-5,7-8H,6H2,1-3H3,(H,16,17)	C14H16BrNO	294.187	2	1	33.12	2	2	0	1.7621	4.75991	2.67	4.543	35.9186	77.016	1.9825	230.075638443628
Cond-005332	NPD5394	NPD5394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7715497283	COc1cc2c(cc1OC)/C(=C\c1ccccc1)/C(=O)OC2	InChI=1S/C18H16O4/c1-20-16-9-13-11-22-18(19)15(14(13)10-17(16)21-2)8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8+	C18H16O4	296.317	4	0	44.76	3	3	1	0.0890999999999986	2.90398	3	5.11	34.734	84.288	2.2098	275.084043059845
Cond-005333	NPD5395	NPD5395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.592206273	CC12CN3CC(C)(CN(C1)C3C1C(=O)Nc3c1cc(Br)cc3)C2=O	InChI=1S/C18H20BrN3O2/c1-17-6-21-8-18(2,16(17)24)9-22(7-17)15(21)13-11-5-10(19)3-4-12(11)20-14(13)23/h3-5,13,15H,6-9H2,1-2H3,(H,20,23)	C18H20BrN3O2	390.274	5	1	52.65	2	1	0	0.5949	2.87138	2.78	0.682	69.0757	97.1537	2.4786	303.87394796159
Cond-005334	NPD5396	NPD5396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3752833086	CCOC1(O)Oc2ccc3ccccc3c2C2NC(=O)N(C)C(=C12)C	InChI=1S/C19H20N2O4/c1-4-24-19(23)16-11(2)21(3)18(22)20-17(16)15-13-8-6-5-7-12(13)9-10-14(15)25-19/h5-10,17,23H,4H2,1-3H3,(H,20,22)	C19H20N2O4	340.373	6	2	71.03	4	2	0	0.0626999999999993	2.62348	2.89	2.878	51.9519	97.0205	2.4847	304.653548102046
Cond-005335	NPD5397	NPD5397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.8242633978	CCOC(=O)c1c(N)n(CCC2(CCOC(C)(C)C2)c2ccc(OC)cc2)c2nc3c(cccc3)nc12	InChI=1S/C29H34N4O4/c1-5-36-27(34)23-24-26(32-22-9-7-6-8-21(22)31-24)33(25(23)30)16-14-29(15-17-37-28(2,3)18-29)19-10-12-20(35-4)13-11-19/h6-13H,5,14-18,30H2,1-4H3	C29H34N4O4	502.605	8	2	101.49	5	8	1	0.3989	6.04787000000001	3.77	6.05	71.8083	149.0604	3.8557	457.541079973847
Cond-005336	NPD5398	NPD5398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.40945093	COc1cc2c(cc1OC)c(=O)oc(C)n2	InChI=1S/C11H11NO4/c1-6-12-8-5-10(15-3)9(14-2)4-7(8)11(13)16-6/h4-5H,1-3H3	C11H11NO4	221.209	5	0	57.12	2	2	0	-0.150100000000001	1.79018	2.12	1.249	32.5463	61.567	1.5609	196.174745690145
Cond-005337	NPD54	NPD54	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0778805205	O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCCCN1CCOCC1	InChI=1S/C22H32N4O4/c27-20(23-7-2-8-24-9-11-30-12-10-24)5-6-21(28)25-14-17-13-18(16-25)19-3-1-4-22(29)26(19)15-17/h1,3-4,17-18H,2,5-16H2,(H,23,27)/t17-,18+/m1/s1	C22H32N4O4	416.514	8	1	82.19	4	9	0	-2.327	0.451970000000001	3	-1.252	111.6222	113.9357	3.193	405.60793979758
Cond-005338	NPD540	NPD540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8270794553	CCc1c(c(=O)c2c(o1)cc(OC(=O)C)cc2)c1cc2c(OCCO2)cc1	InChI=1S/C21H18O6/c1-3-16-20(13-4-7-17-19(10-13)25-9-8-24-17)21(23)15-6-5-14(26-12(2)22)11-18(15)27-16/h4-7,10-11H,3,8-9H2,1-2H3	C21H18O6	366.364	6	0	71.06	4	4	0	-1.1954	5.33305	3.11	3.569	48.5803	105.7165	2.5983	329.559532936968
Cond-005339	NPD5400	NPD5400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.937464967	[C@H]1(CC(=O)OC1c1c(OC)cccc1)C(=O)O	InChI=1S/C12H12O5/c1-16-9-5-3-2-4-7(9)11-8(12(14)15)6-10(13)17-11/h2-5,8,11H,6H2,1H3,(H,14,15)/t8-,11?/m1/s1	C12H12O5	236.221	5	1	72.83	2	3	0	-0.543	1.83229	2.23	1.35	32.3955	62.3618	1.6607	211.264196808406
Cond-005340	NPD5401	NPD5401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7246118977	Cc1cc(C)c(C(=O)O)c2c1C(=O)C(C)(C)C2	InChI=1S/C14H16O3/c1-7-5-8(2)11(13(16)17)9-6-14(3,4)12(15)10(7)9/h5H,6H2,1-4H3,(H,16,17)	C14H16O3	232.275	3	1	54.37	2	1	0	2.1508	2.22894	2.67	2.553	41.7952	65.7843	1.8251	228.275712659017
Cond-005341	NPD5402	NPD5402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2737308995	CCOC(=O)C1=C(C)N(CC)[C@@]2(C[C@H]1c1ccccc1O2)c1cc2ccccc2oc1=O	InChI=1S/C26H25NO5/c1-4-27-16(3)23(25(29)30-5-2)19-15-26(27,32-22-13-9-7-11-18(19)22)20-14-17-10-6-8-12-21(17)31-24(20)28/h6-14,19H,4-5,15H2,1-3H3/t19?,26-/m1/s1	C26H25NO5	431.48	6	0	65.07	5	5	1	1.0641	5.40315000000001	3.66	6.15	70.8708	124.959	3.1923	403.253072172308
Cond-005342	NPD5403	NPD5403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.531060366	Brc1cc2c(cc1)N=C1CCCN1C2	InChI=1S/C11H11BrN2/c12-9-3-4-10-8(6-9)7-14-5-1-2-11(14)13-10/h3-4,6H,1-2,5,7H2	C11H11BrN2	251.122	2	0	15.6	3	0	0	0.1822	2.32079	2.34	3.255	34.1829	60.382	1.5353	181.574218073634
Cond-005343	NPD5404	NPD5404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0763044379	BrC1(Br)CCn2c1nc1c(cccc1)c2=O	InChI=1S/C11H8Br2N2O/c12-11(13)5-6-15-9(16)7-3-1-2-4-8(7)14-10(11)15/h1-4H,5-6H2	C11H8Br2N2O	344.002	3	0	32.67	3	0	0	0.6339	2.92828	2.12	3.212	41.4021	73.612	1.726	207.011605050962
Cond-005344	NPD5405	NPD5405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.0495211171	O=N(=O)c1cc2c(nc3CCCn3c2=O)c(c1)N(=O)=O	InChI=1S/C11H8N4O5/c16-11-7-4-6(14(17)18)5-8(15(19)20)10(7)12-9-2-1-3-13(9)11/h4-5H,1-3H2	C11H8N4O5	276.205	9	0	118.95	3	2	0	0.478500000000001	1.36668	1.68	1.5	33.5931	74.7	1.7244	220.325876912806
Cond-005345	NPD5406	NPD5406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.535325226	CC(=O)OC1CCn2c1nc1c(cc(Br)cc1)c2=O	InChI=1S/C13H11BrN2O3/c1-7(17)19-11-4-5-16-12(11)15-10-3-2-8(14)6-9(10)13(16)18/h2-3,6,11H,4-5H2,1H3	C13H11BrN2O3	323.142	5	0	58.97	3	2	0	-0.226	2.40188	2.23	2.136	44.9019	76.5025	1.9072	237.26395002545
Cond-005346	NPD5407	NPD5407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	59.1426412887	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OP(=O)([O-])OCC[N+](C)(C)C	InChI=1S/C32H58NO4P/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-22-26(37-38(34,35)36-21-20-33(6,7)8)16-18-31(25,4)30(27)17-19-32(28,29)5/h12,23-24,26-30H,9-11,13-22H2,1-8H3/t24-,26+,27+,28-,29+,30+,31+,32-/m1/s1	C32H58NO4P	551.781	5	0	68.4	4	11	2	-0.0238999999999971	6.55039000000001	4.32	9.47	148.783	147.8734	4.6792	575.950593642946
Cond-005347	NPD5408	NPD5408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6271293837	[Na+].[C@@H]12CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](O)CC[C@]12C	InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1	C26H44NNaO6S	521.685	7	3	135.14	4	8	0	-1.2912	3.60239000000001	3.44	4.434	122.0261	124.9682	3.8886	487.11868058807
Cond-005348	NPD5409	NPD5409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.874905564	[C@@H]12NC3=C(C(=O)C(=O)C=C3[C@]31CCN1CC4=CCO[C@@H](CC(=O)O)[C@@H]2[C@H]4C[C@@H]31)N(=O)=O	InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1	C21H21N3O7	427.407	10	2	139.08	6	3	0	-0.9373	-0.09354	2.67	-0.16	103.4936	107.4315	2.8252	373.70004026203
Cond-005349	NPD5410	NPD5410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9934930422	[C@H]1(O[C@@H]2O[C@@H](C(O)CO)[C@@H](O)[C@@H]2O1)C(Cl)(Cl)Cl	InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6+,7+/m1/s1	C8H11Cl3O6	309.528	6	3	88.38	2	3	0	-0.0806000000000006	-0.4629	1.35	-0.146	58.1489	57.7964	1.738	220.5859818208
Cond-005350	NPD5412	NPD5412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.615772671	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1	C8H15NO6	221.208	7	5	127.09	0	7	0	-2.9552	-3.00111	1.57	-3.116	47.6469	52.0179	1.6018	205.389538717667
Cond-005351	NPD5413	NPD5413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8724441303	[C@@H]1(COC2(CCC(=O)N12)c1ccccc1)C(C)C	InChI=1S/C15H19NO2/c1-11(2)13-10-18-15(9-8-14(17)16(13)15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-,15?/m1/s1	C15H19NO2	245.317	3	0	29.54	3	2	0	-0.488000000000001	2.40939	2.78	3.621	41.1999	71.243	1.9415	238.058230792489
Cond-005352	NPD5414	NPD5414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.933395072	OC[C@H](O)[C@@H](O)[C@H](O)C(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C12H24O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h4-21H,1-3H2/t4-,5?,6+,7+,8+,9+,10-,11+,12-/m0/s1	C12H24O11	344.312	11	9	200.53	1	8	2	-4.6871	-5.7612	1.57	-5.004	70.8169	70.8322000000001	2.3365	300.444309216573
Cond-005353	NPD5415	NPD5415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.0408939147	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C=C1	InChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3/t10-,11+,12-,14+/m1/s1	C14H22O3	238.323	3	0	35.53	2	3	0	1.3647	3.06298	2.67	4.068	63.691	68.209	1.9541	247.085088761417
Cond-005354	NPD5416	NPD5416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.508541905	CN(C(=O)C)c1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(NC(=O)C)c1I	InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1	C18H22I3N3O8	789.096	11	6	168.66	2	8	2	0.4249	-0.0604099999999999	1.9	1.161	114.0674	142.2356	3.7132	447.595011599787
Cond-005355	NPD5417	NPD5417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.329003485	C(O)(CO)C(O)C(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O	InChI=1S/C8H14O8/c9-1-2(10)3(11)4(12)7-5(13)6(14)8(15)16-7/h2-7,9-14H,1H2/t2?,3?,4?,5-,6+,7+/m0/s1	C8H14O8	238.192	8	6	147.68	1	4	1	-3.2504	-4.05751	1.46	-2.976	46.7038	50.2428	1.5538	202.253231910622
Cond-005356	NPD5418	NPD5418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8365705652	[C@@H](Oc1cc(C)c2ccccc2n1)(c1c2cc(OC)ccc2ncc1)C1CC2CCN1C[C@@H]2CC	InChI=1S/C30H33N3O2/c1-4-20-18-33-14-12-21(20)16-28(33)30(24-11-13-31-26-10-9-22(34-3)17-25(24)26)35-29-15-19(2)23-7-5-6-8-27(23)32-29/h5-11,13,15,17,20-21,28,30H,4,12,14,16,18H2,1-3H3/t20-,21?,28?,30+/m0/s1	C30H33N3O2	467.602	5	0	47.48	4	6	1	-0.509599999999999	7.08490000000001	4.21	6.938	55.3345	142.544	3.6708	433.903392289625
Cond-005357	NPD5419	NPD5419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.0035093705	[C@@H]12Cc3c(c(C)nn3C(=O)/C=C/c3ccccc3)[C@@H]1C2(C)C	InChI=1S/C19H20N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3/b10-9+/t14-,18-/m1/s1	C19H20N2O	292.375	3	0	34.89	4	3	1	1.1066	4.21119	3.22	6.517	49.2048	89.993	2.3086	278.282868000362
Cond-005358	NPD542	NPD542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3640323584	CCc1cc2c(oc(=O)cc2C)cc1OCC(=O)Nc1ccc(C)cc1	InChI=1S/C21H21NO4/c1-4-15-10-17-14(3)9-21(24)26-19(17)11-18(15)25-12-20(23)22-16-7-5-13(2)6-8-16/h5-11H,4,12H2,1-3H3,(H,22,23)	C21H21NO4	351.396	5	1	64.63	3	6	0	0.6746	5.26967	3.22	4.832	50.2924	105.8587	2.6893	335.332298444813
Cond-005359	NPD5420	NPD5420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.5212146321	CC(=C)C1Cc2c(C1)c(C)nn2S(=O)(=O)c1ccc(C)cc1	InChI=1S/C17H20N2O2S/c1-11(2)14-9-16-13(4)18-19(17(16)10-14)22(20,21)15-7-5-12(3)6-8-15/h5-8,14H,1,9-10H2,2-4H3	C17H20N2O2S	316.418	4	0	60.34	3	3	0	1.3764	3.77221	2.78	4.07	49.2282	82.019	2.4006	285.98306690839
Cond-005360	NPD5421	NPD5421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.0750615358	[C@@H]12Cc3c(c(C)nn3c3ccccc3)[C@@H]1C2(C)C	InChI=1S/C16H18N2/c1-10-14-13(9-12-15(14)16(12,2)3)18(17-10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3/t12-,15-/m1/s1	C16H18N2	238.328	2	0	17.3	4	1	1	1.3935	4.08531	3	5.085	34.4178	73.71	1.9132	222.8776048238
Cond-005361	NPD5422	NPD5422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.112933493	[C@@H]12C[C@@]3(OC(=O)C)ON=C(C)[C@H]3[C@@H]1C2(C)C	InChI=1S/C12H17NO3/c1-6-9-10-8(11(10,3)4)5-12(9,16-13-6)15-7(2)14/h8-10H,5H2,1-4H3/t8-,9+,10-,12-/m1/s1	C12H17NO3	223.268	4	0	47.89	3	2	0	0.5489	2.32758	2.34	2.797	56.714	62.96	1.6635	211.13342101705
Cond-005362	NPD5424	NPD5424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5988214386	CC(=O)/C=C(\C)/NC(=O)C1C(C=C(C)C)C1(C)C	InChI=1S/C15H23NO2/c1-9(2)7-12-13(15(12,5)6)14(18)16-10(3)8-11(4)17/h7-8,12-13H,1-6H3,(H,16,18)/b10-8+	C15H23NO2	249.349	3	1	46.17	1	5	0	1.6599	2.92007	2.78	2.646	74.6443	75.4757	2.1587	273.671148194089
Cond-005363	NPD5425	NPD5425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9625853522	CC(=CC1C(C(=O)NCc2ncccc2)C1(C)C)C	InChI=1S/C16H22N2O/c1-11(2)9-13-14(16(13,3)4)15(19)18-10-12-7-5-6-8-17-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)	C16H22N2O	258.359	3	1	41.99	2	5	0	1.5716	3.21668	2.89	3.587	53.2824	79.7997	2.1891	267.280748925962
Cond-005364	NPD5426	NPD5426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	81.5545786175	C/C(=C/1\C2C(CC1=O)C2(C)C)/NC(=O)/C=C/c1ccccc1	InChI=1S/C19H21NO2/c1-12(17-15(21)11-14-18(17)19(14,2)3)20-16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3,(H,20,22)/b10-9+,17-12+	C19H21NO2	295.376	3	1	46.17	3	4	1	0.6406	3.31237	3.22	5.652	62.6608	88.6147	2.3761	299.332793193557
Cond-005365	NPD5427	NPD5427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1030773548	COc1cccc(OCc2noc3cc(OCC(=C)C)ccc23)c1	InChI=1S/C19H19NO4/c1-13(2)11-22-16-7-8-17-18(20-24-19(17)10-16)12-23-15-6-4-5-14(9-15)21-3/h4-10H,1,11-12H2,2-3H3	C19H19NO4	325.358	5	0	53.72	3	7	0	0.663	4.84377	3	3.784	36.0267	96.1490000000001	2.4505	292.476787893879
Cond-005366	NPD5428	NPD5428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.7460480778	Cc1c2C3C(Cc2nc(n1)c1ccccc1)C3(C)C	InChI=1S/C17H18N2/c1-10-14-13(9-12-15(14)17(12,2)3)19-16(18-10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3	C17H18N2	250.338	2	0	25.78	4	1	1	1.3803	4.3261	3.11	5.831	31.5198	77.79	2.0111	237.537130748867
Cond-005367	NPD5429	NPD5429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3622673277	CC1=CC[C@H]2COC(C[N+]3(C)CCCCC3)[C@@H]1C2	InChI=1S/C16H28NO/c1-13-6-7-14-10-15(13)16(18-12-14)11-17(2)8-4-3-5-9-17/h6,14-16H,3-5,7-12H2,1-2H3/q+1/t14-,15-,16?/m1/s1	C16H28NO+	250.4	2	0	9.23	3	2	0	-1.9369	2.91439	3	1.812	68.2343	74.0774000000001	2.1742	266.691594170595
Cond-005368	NPD543	NPD543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0160770109	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1)OC(=O)COc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C43H56O5/c1-27(2)9-8-10-28(3)29-13-18-37-36-16-14-30-23-32(19-22-43(30,5)38(36)20-21-42(37,4)25-29)47-40(44)26-46-31-15-17-34-33-11-6-7-12-35(33)41(45)48-39(34)24-31/h6-7,11-12,14-15,17,24,27-29,32,36-38H,8-10,13,16,18-23,25-26H2,1-5H3/t28?,29?,32?,36?,37?,38?,42-,43+/m1/s1	C43H56O5	652.902	5	0	61.83	7	10	1	1.5264	11.05207	5.64	15.332	135.359	195.570999999999	5.31360000000001	664.211591903072
Cond-005369	NPD5430	NPD5430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.511925919	CC1=CC[C@]2(CO)COC([C@H]1C2)C(C)(C)CO	InChI=1S/C14H24O3/c1-10-4-5-14(8-16)6-11(10)12(17-9-14)13(2,3)7-15/h4,11-12,15-16H,5-9H2,1-3H3/t11-,12?,14-/m0/s1	C14H24O3	240.339	3	2	49.69	2	3	0	0.704599999999998	1.66489	2.67	0.89	67.4406	66.3366000000001	1.9971	249.721547462217
Cond-005370	NPD5431	NPD5431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0120662239	COc1cc(C)c(/C=C/C(=O)/C=C/c2c(C)cc(OC)c(C)c2C)c(C)c1C	InChI=1S/C25H30O3/c1-15-13-24(27-7)19(5)17(3)22(15)11-9-21(26)10-12-23-16(2)14-25(28-8)20(6)18(23)4/h9-14H,1-8H3/b11-9+,12-10+	C25H30O3	378.504	3	0	35.53	2	6	1	4.2068	5.25651000000001	3.88	6.628	73.4772	117.208	3.203	397.085708740353
Cond-005371	NPD5432	NPD5432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.946403517	C[C@]1(O)CCC2C3CCC4=C/C(=N/OCC(=O)O)/C=C[C@]4(C)C3CC[C@]12C	InChI=1S/C22H31NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h6,9,12,16-18,26H,4-5,7-8,10-11,13H2,1-3H3,(H,24,25)/b23-15+/t16?,17?,18?,20-,21-,22-/m0/s1	C22H31NO4	373.486	5	2	79.12	4	3	0	0.836499999999997	4.16936	3.33	4.74	103.6023	108.1166	2.9366	375.25411787388
Cond-005372	NPD5433	NPD5433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.177719577	C[C@]12CCC3C(CCC4=C/C(=N/OCC(=O)NCCCCC(=O)O)/CC[C@]34C)C1CC[C@@]2(O)C#C	InChI=1S/C28H40N2O5/c1-4-28(34)15-12-23-21-9-8-19-17-20(10-13-26(19,2)22(21)11-14-27(23,28)3)30-35-18-24(31)29-16-6-5-7-25(32)33/h1,17,21-23,34H,5-16,18H2,2-3H3,(H,29,31)(H,32,33)/b30-20+/t21?,22?,23?,26-,27-,28-/m0/s1	C28H40N2O5	484.628	7	3	108.22	4	9	0	-0.266399999999997	4.44656000000001	3.77	3.922	127.3312	137.8553	3.8545	493.544095136209
Cond-005373	NPD5434	NPD5434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.318866336	C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(=O)O)C1CCOC(C)(C)C1	InChI=1S/C35H49NO10/c1-32(2)17-20(11-14-46-32)25(16-29(41)42)36-28(40)7-8-30(43)45-19-27(39)35(44)13-10-24-23-6-5-21-15-22(37)9-12-33(21,3)31(23)26(38)18-34(24,35)4/h9,12,15,20,23-26,31,38,44H,5-8,10-11,13-14,16-19H2,1-4H3,(H,36,40)(H,41,42)/t20?,23?,24?,25?,26-,31?,33-,34-,35-/m0/s1	C35H49NO10	643.764	11	4	176.53	5	12	2	-1.3892	3.13967000000001	4.1	1.494	163.3081	167.7971	4.88290000000001	632.577443410312
Cond-005374	NPD5436	NPD5436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3964081938	CC(=O)OC(C)(CCC1[C@@](C)(CCC2C(C)(C)CCC[C@]12C)OC(=O)C)C=C	InChI=1S/C24H40O4/c1-9-22(6,27-17(2)25)15-11-20-23(7)14-10-13-21(4,5)19(23)12-16-24(20,8)28-18(3)26/h9,19-20H,1,10-16H2,2-8H3/t19?,20?,22?,23-,24+/m0/s1	C24H40O4	392.572	4	0	52.6	2	8	1	2.7347	5.99888000000001	3.66	7.469	109.1999	114.699	3.3788	426.198703019847
Cond-005375	NPD5437	NPD5437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	10.644467309	CCc1cc2c(cc1/C(=N/NC(=O)N)/C)C(C)(C)CCC2(C)C	InChI=1S/C19H29N3O/c1-7-13-10-15-16(19(5,6)9-8-18(15,3)4)11-14(13)12(2)21-22-17(20)23/h10-11H,7-9H2,1-6H3,(H3,20,22,23)/b21-12+	C19H29N3O	315.453	4	3	67.48	2	4	1	1.5367	3.48598	3.11	7.176	69.3008	99.7051000000001	2.7116	330.16546301173
Cond-005376	NPD5438	NPD5438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5017304275	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)O	InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1	C13H24O3	228.328	3	1	46.53	1	4	0	0.4594	2.60509	2.56	3.44	60.437	66.1468000000001	1.9648	244.78202153715
Cond-005377	NPD5439	NPD5439	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5408287344	COC(=O)[C@H](CCSC)NC(=O)N1CCc2c(nc[nH]2)C1c1c(OC)cccc1	InChI=1S/C20H26N4O4S/c1-27-16-7-5-4-6-13(16)18-17-14(21-12-22-17)8-10-24(18)20(26)23-15(9-11-29-3)19(25)28-2/h4-7,12,15,18H,8-11H2,1-3H3,(H,21,22)(H,23,26)/t15-,18?/m0/s1	C20H26N4O4S	418.51	8	2	121.85	3	10	0	-1.1561	2.77969	2.67	2.748	68.0053	116.7737	3.0973	374.808535902647
Cond-005378	NPD544	NPD544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.002464815	CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(C2[NH+](C)CCc3cc4c(OCO4)c(OC)c23)c1[O-]	InChI=1S/C24H25N3O7/c1-4-32-15-7-5-14(6-8-15)27-23(29)18(22(28)25-24(27)30)19-17-13(9-10-26(19)2)11-16-20(21(17)31-3)34-12-33-16/h5-8,11,19,29H,4,9-10,12H2,1-3H3,(H,25,28,30)	C24H25N3O7	467.471	10	2	113.83	5	5	0	-2.5445	1.66516	3	2.021	66.6795	124.9774	3.2705	410.87153543883
Cond-005379	NPD5440	NPD5440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6122907118	CC[C@@H](C)[C@H](NC(=O)N1CCc2c(nc[nH]2)C1c1c(OC)cccc1)C(=O)OC	InChI=1S/C21H28N4O4/c1-5-13(2)17(20(26)29-4)24-21(27)25-11-10-15-18(23-12-22-15)19(25)14-8-6-7-9-16(14)28-3/h6-9,12-13,17,19H,5,10-11H2,1-4H3,(H,22,23)(H,24,27)/t13-,17+,19?/m1/s1	C21H28N4O4	400.471	8	2	96.55	3	9	0	-1.6759	3.07269	2.89	3.001	64.2369	113.2297	3.0747	373.595496470913
Cond-005380	NPD5441	NPD5441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.4008979515	CC1[C@@H]2Oc3c(cccc3)[C@@H]1Oc1c2cccc1	InChI=1S/C16H14O2/c1-10-15-11-6-2-4-8-13(11)17-16(10)12-7-3-5-9-14(12)18-15/h2-10,15-16H,1H3/t10?,15-,16+	C16H14O2	238.281	2	0	18.46	4	0	0	-0.2756	4.3187	3	4.603	18.5693	71.884	1.788	215.828079107789
Cond-005381	NPD5442	NPD5442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8964549621	C/C(=C/CC/C(=N/NC(=O)N)/C)/CCC1C(=C)CCC2C(C)(C)CCCC12C	InChI=1S/C24H41N3O/c1-17(9-7-10-19(3)26-27-22(25)28)11-13-20-18(2)12-14-21-23(4,5)15-8-16-24(20,21)6/h9,20-21H,2,7-8,10-16H2,1,3-6H3,(H3,25,27,28)/b17-9-,26-19+	C24H41N3O	387.602	4	3	67.48	2	8	1	2.3905	5.68416000000001	3.66	8.075	115.0823	122.2751	3.4591	430.181844841864
Cond-005382	NPD5443	NPD5443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8299504256	[C@H]12CC3=C(C[C@H]1C(=O)NNC2=O)C(C)(C)CCC3	InChI=1S/C14H20N2O2/c1-14(2)5-3-4-8-6-9-10(7-11(8)14)13(18)16-15-12(9)17/h9-10H,3-7H2,1-2H3,(H,15,17)(H,16,18)/t9-,10+/m0/s1	C14H20N2O2	248.321	4	2	58.2	3	0	0	-0.0889999999999984	1.84038	2.56	2.392	65.7809	70.1304	1.9434	245.295465075589
Cond-005383	NPD5444	NPD5444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.2878121785	COc1cccc2c1O[C@H]1C(C)[C@@H]2Oc2c1cccc2	InChI=1S/C17H16O3/c1-10-15-11-6-3-4-8-13(11)19-16(10)12-7-5-9-14(18-2)17(12)20-15/h3-10,15-16H,1-2H3/t10?,15-,16-/m0/s1	C17H16O3	268.307	3	0	27.69	4	1	0	-0.3274	4.3273	3	3.948	25.8851	78.436	1.9876	241.914290434217
Cond-005384	NPD5445	NPD5445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4387802825	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1	InChI=1S/C23H31Cl2N3O2/c24-19-7-6-17(14-20(19)25)23(30)28-12-8-16(9-13-28)22(29)26-15-18-4-3-11-27-10-2-1-5-21(18)27/h6-7,14,16,18,21H,1-5,8-13,15H2,(H,26,29)/t18-,21+/m0/s1	C23H31Cl2N3O2	452.417	5	1	52.65	4	6	0	-1.6834	4.19469	3.22	3.355	84.3169	123.0567	3.3615	413.848846355025
Cond-005385	NPD5446	NPD5446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.2672341222	C/C(=C\c1ccccc1)/C(=O)Nc1cc(=O)oc2c1cccc2	InChI=1S/C19H15NO3/c1-13(11-14-7-3-2-4-8-14)19(22)20-16-12-18(21)23-17-10-6-5-9-15(16)17/h2-12H,1H3,(H,20,22)/b13-11+	C19H15NO3	305.327	4	1	55.4	3	4	1	0.1026	3.53546	3.11	6.117	37.905	91.4697	2.3058	289.313643791718
Cond-005386	NPD5448	NPD5448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0638855112	CC1(C)CC2=C(CCC3(O2)C(=O)CC(C)(C)N([O])C3(C)C)C(C)(C)N1[O]	InChI=1S/C20H32N2O4/c1-16(2)11-14-13(18(5,6)21(16)24)9-10-20(26-14)15(23)12-17(3,4)22(25)19(20,7)8/h9-12H2,1-8H3	C20H32N2O4	364.479	6	2	73.24	3	0	0	1.02	3.82308	3	0.748	102.4233	100.857	2.9492	369.288284932714
Cond-005387	NPD5449	NPD5449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.1605088392	COc1cccc2c1C(=O)c1c(C2=O)c(O)c2C[C@](O)(C[C@H](O[C@H]3CC(N)[C@H](O)C(C)O3)c2c1O)/C(=N/N=C1CC(C)(C)N([O])C(C)(C)C1)/C	InChI=1S/C36H45N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-46H,11-15,37H2,1-7H3/b38-17+/t16?,21?,23-,24-,29+,36-/m0/s1	C36H45N4O10	693.763	14	7	216.96	6	5	1	-2.88350000000001	3.61987000000001	3.88	0.583	133.5429	189.386	5.08560000000001	640.797873857477
Cond-005388	NPD545	NPD545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.527711533	COc1c(OC)c(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1	InChI=1S/C27H32N4O6/c1-28-24(33)27(25(34)29(2)26(28)35,12-18-7-5-9-21(36-3)23(18)37-4)16-30-13-17-11-19(15-30)20-8-6-10-22(32)31(20)14-17/h5-10,17,19H,11-16H2,1-4H3/t17-,19+/m1/s1	C27H32N4O6	508.566	10	0	99.7	5	6	0	-1.4302	1.60337	3.33	0.256	112.6212	136.295	3.7343	475.866022824036
Cond-005389	NPD5450	NPD5450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6029370499	CC(=CC/C=C/1\CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O)C	InChI=1S/C14H20O4/c1-9(2)4-3-5-10-6-7-11(13(15)16)12(8-10)14(17)18/h4-5,11-12H,3,6-8H2,1-2H3,(H,15,16)(H,17,18)/b10-5+/t11-,12+/m0/s1	C14H20O4	252.306	4	2	74.6	1	4	0	1.761	2.94087	2.56	2.231	69.8202	70.9366000000001	2.0354	262.958856761178
Cond-005390	NPD5451	NPD5451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7118136751	CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CC[C@@]4(C)C(CCC5C4CC[C@]4(C)C6CC[C@]54O[C@@H]4NC(=O)CC64)C3)OC2C)OC1C	InChI=1S/C41H65NO12/c1-19-35(47)28(43)16-33(48-19)52-37-21(3)50-34(18-30(37)45)53-36-20(2)49-32(17-29(36)44)51-23-8-11-39(4)22(14-23)6-7-27-26(39)9-12-40(5)25-10-13-41(27,40)54-38-24(25)15-31(46)42-38/h19-30,32-38,43-45,47H,6-18H2,1-5H3,(H,42,46)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38-,39-,40+,41-/m0/s1	C41H65NO12	763.954	13	5	174.63	9	6	1	-3.56219999999999	3.49809000000001	4.54	3.833	180.1583	194.3259	5.66930000000002	720.32672196823
Cond-005391	NPD5452	NPD5452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.09269479	CC(C)CCC(=O)Nc1cc(=O)oc2c1cccc2	InChI=1S/C15H17NO3/c1-10(2)7-8-14(17)16-12-9-15(18)19-13-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)	C15H17NO3	259.3	4	1	55.4	2	5	0	0.0516999999999987	3.05087	2.67	3.851	46.5732	76.5107	2.0228	253.93199879225
Cond-005392	NPD5453	NPD5453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8784023945	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)/C=C/c1c(OC)cccc1	InChI=1S/C21H30NO3/c1-22-14-6-5-10-19(22)18(9-7-15-22)16-25-21(23)13-12-17-8-3-4-11-20(17)24-2/h3-4,8,11-13,18-19H,5-7,9-10,14-16H2,1-2H3/q+1/b13-12+/t18-,19+,22?/m0/s1	C21H30NO3+	344.468	4	0	35.53	3	6	0	-2.3415	3.71188	3.33	4.027	65.9832	101.4494	2.8241	349.306135897852
Cond-005393	NPD5454	NPD5454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4456084557	[C@@H]12CCCC[N+]1(C)CCC[C@@H]2COC(=O)c1ccc(CSCc2ccccc2)o1	InChI=1S/C24H32NO3S/c1-25-14-6-5-11-22(25)20(10-7-15-25)16-27-24(26)23-13-12-21(28-23)18-29-17-19-8-3-2-4-9-19/h2-4,8-9,12-13,20,22H,5-7,10-11,14-18H2,1H3/q+1/t20-,22+,25?/m1/s1	C24H32NO3S+	414.581	4	0	64.74	4	8	1	-2.1911	4.54909	3.55	6.218	67.2609	120.6514	3.2587	393.810196431452
Cond-005394	NPD5455	NPD5455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.205780563	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)/C=C/c1ccccc1	InChI=1S/C20H28NO2/c1-21-14-6-5-11-19(21)18(10-7-15-21)16-23-20(22)13-12-17-8-3-2-4-9-17/h2-4,8-9,12-13,18-19H,5-7,10-11,14-16H2,1H3/q+1/b13-12+/t18-,19+,21?/m0/s1	C20H28NO2+	314.442	3	0	26.3	3	5	1	-2.2897	3.70328	3.33	5.526	58.6674	94.8974000000001	2.6245	323.219924571424
Cond-005395	NPD5456	NPD5456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1394630998	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)c1cc(OC)cc(OC)c1	InChI=1S/C20H30NO4/c1-21-9-5-4-8-19(21)15(7-6-10-21)14-25-20(22)16-11-17(23-2)13-18(12-16)24-3/h11-13,15,19H,4-10,14H2,1-3H3/q+1/t15-,19+,21?/m0/s1	C20H30NO4+	348.457	5	0	44.76	3	6	0	-2.7544	3.23809	3.11	2.767	63.0555	99.1314000000001	2.7849	343.436836673346
Cond-005396	NPD5457	NPD5457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.392853802	[C@@H]12CCCC[N+]1(C)CCC[C@@H]2COC(=O)c1ccc(cc1)N1C(=O)C=CC1=O	InChI=1S/C22H27N2O4/c1-24-13-3-2-6-19(24)17(5-4-14-24)15-28-22(27)16-7-9-18(10-8-16)23-20(25)11-12-21(23)26/h7-12,17,19H,2-6,13-15H2,1H3/q+1/t17-,19+,24?/m1/s1	C22H27N2O4+	383.461	6	0	63.68	4	5	0	-3.1547	2.57648	3.22	2.657	70.9753	107.3904	2.9289	368.759731330047
Cond-005397	NPD5458	NPD5458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0580862408	COC1=CC2=CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CC1	InChI=1S/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3/t15?,16?,17?,19-,20-/m0/s1	C20H28O2	300.435	2	0	26.3	4	1	0	1.1361	4.74477000000001	3.44	3.858	90.1012	89.888	2.4806	314.721393713657
Cond-005398	NPD546	NPD546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4944589539	COc1c(OC)cc(CCNC(=O)CC(C)Cc2cc(C)cc(C)c2)cc1	InChI=1S/C23H31NO3/c1-16-10-17(2)12-20(11-16)13-18(3)14-23(25)24-9-8-19-6-7-21(26-4)22(15-19)27-5/h6-7,10-12,15,18H,8-9,13-14H2,1-5H3,(H,24,25)	C23H31NO3	369.497	4	1	47.56	2	10	1	1.3022	3.92133000000001	3.55	6.907	60.0804	110.7097	3.107	378.763417098386
Cond-005399	NPD5460	NPD5460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.613974371	Cc1cn(C2OC[C@@H](O)[C@@H]2CO)c(=O)[nH]c1=O	InChI=1S/C10H14N2O5/c1-5-2-12(10(16)11-8(5)15)9-6(3-13)7(14)4-17-9/h2,6-7,9,13-14H,3-4H2,1H3,(H,11,15,16)/t6-,7+,9?/m0/s1	C10H14N2O5	242.229	7	3	99.1	2	2	0	-1.6338	-1.07222	1.79	-1.498	54.2773	58.4303	1.6645	214.838665374606
Cond-005400	NPD5461	NPD5461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.975399869	NC(Cn1cnc2c1ncnc2N)C(=O)O	InChI=1S/C8H10N6O2/c9-4(8(15)16)1-14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,1,9H2,(H,15,16)(H2,10,11,12)	C8H10N6O2	222.204	8	5	132.94	2	3	0	-1.8719	-0.13533	1.46	-3.882	26.5965	60.6716	1.5198	170.790139452256
Cond-005401	NPD5462	NPD5462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.1166401646	COCc1cc(=O)[nH]/c(=N/c2nc3c(o2)cccc3)/[nH]1	InChI=1S/C13H12N4O3/c1-19-7-8-6-11(18)16-12(14-8)17-13-15-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H2,14,15,16,17,18)	C13H12N4O3	272.259	7	2	88.75	3	3	0	-0.873	1.52796	2.12	1.778	39.3595	77.1704	1.8888	226.437392763417
Cond-005402	NPD5463	NPD5463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.8234028622	COc1cc2c(C)cc3c4cc(OC)c(OC)cc4c(C(=O)C)c(C)c3c2cc1OC	InChI=1S/C26H26O5/c1-13-8-18-17-10-22(29-5)24(31-7)12-20(17)25(15(3)27)14(2)26(18)19-11-23(30-6)21(28-4)9-16(13)19/h8-12H,1-7H3	C26H26O5	418.482	5	0	53.99	4	5	1	0.822899999999998	5.46234	3.77	5.108	51.0378	125.74	3.2011	382.812770664941
Cond-005403	NPD5464	NPD5464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.9536058367	[C@H](NC(=O)c1c(NC(=O)c2ccc(OC)cc2)cccc1)(C(C)C)C(=O)Nc1ccccc1C(=O)OC	InChI=1S/C28H29N3O6/c1-17(2)24(27(34)30-23-12-8-6-10-21(23)28(35)37-4)31-26(33)20-9-5-7-11-22(20)29-25(32)18-13-15-19(36-3)16-14-18/h5-17,24H,1-4H3,(H,29,32)(H,30,34)(H,31,33)/t24-/m0/s1	C28H29N3O6	503.546	9	3	122.83	3	13	2	-1.5292	4.09559000000001	3.55	6.261	59.2193	142.9141	3.82060000000001	474.532329840136
Cond-005404	NPD5465	NPD5465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.466934805	[K+].Cn1c(=O)[n-]c2nc3c(cc(C)c(N)c3)nc2c1=O	InChI=1S/C12H11N5O2.K/c1-5-3-7-8(4-6(5)13)15-10-9(14-7)11(18)17(2)12(19)16-10;/h3-4H,1-2H3,(H3,13,15,16,18,19);/q;+1/p-1	C12H10KN5O2	295.338	7	2	89.18	3	0	0	-0.7568	2.40959	2.01	0.165	30.305	72.5599	1.7675	210.029712294756
Cond-005405	NPD5466	NPD5466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8937424001	NC(=O)NCCCCCCN1C(=O)NC(=O)/C(=C/c2cc3c(OCO3)cc2)/C1=O	InChI=1S/C19H22N4O6/c20-18(26)21-7-3-1-2-4-8-23-17(25)13(16(24)22-19(23)27)9-12-5-6-14-15(10-12)29-11-28-14/h5-6,9-10H,1-4,7-8,11H2,(H3,20,21,26)(H,22,24,27)/b13-9-	C19H22N4O6	402.401	10	4	140.06	3	9	0	-2.6617	1.02187	2.45	0.656	67.4096	105.7008	2.8673	364.847521919502
Cond-005406	NPD5467	NPD5467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0341408661	COc1ccc(Cc2c(O)nc3SCCn3c2=O)cc1	InChI=1S/C14H14N2O3S/c1-19-10-4-2-9(3-5-10)8-11-12(17)15-14-16(13(11)18)6-7-20-14/h2-5,17H,6-8H2,1H3	C14H14N2O3S	290.338	5	1	87.43	3	3	0	1.1017	2.01007	2.34	1.779	52.193	81.7468000000001	2.0366	253.78533973135
Cond-005407	NPD5468	NPD5468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2202787391	CN1C(=O)C(C2c3ccc(O)cc3Oc3c2c(=O)n(C)c(=O)n3C)C(=O)N(C)C1=O	InChI=1S/C19H18N4O7/c1-20-14(25)12(15(26)21(2)18(20)28)11-9-6-5-8(24)7-10(9)30-17-13(11)16(27)22(3)19(29)23(17)4/h5-7,11-12,24H,1-4H3	C19H18N4O7	414.369	11	1	127.77	4	1	0	-1.6958	0.93107	2.34	-1.219	76.1654	103.8908	2.7744	358.644831218463
Cond-005408	NPD5469	NPD5469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.4844261528	OC1(CC(=O)/C=C/C=C/c2ccccc2)C(=O)Nc2c1cc(Br)cc2	InChI=1S/C20H16BrNO3/c21-15-10-11-18-17(12-15)20(25,19(24)22-18)13-16(23)9-5-4-8-14-6-2-1-3-7-14/h1-12,25H,13H2,(H,22,24)/b8-4+,9-5+	C20H16BrNO3	398.25	4	2	66.4	3	5	1	0.1087	4.10867	3.11	6.475	51.3655	102.5505	2.6217	325.893247395152
Cond-005409	NPD547	NPD547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	107.227626006	COC(=O)C1C[C@@]2(C)C(CC[C@]2(OC(=O)C)C(=O)COC(=O)C)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F	InChI=1S/C27H33FO8/c1-15(29)35-14-22(32)26(36-16(2)30)11-9-19-20-7-6-17-12-18(31)8-10-24(17,3)27(20,28)21(23(33)34-5)13-25(19,26)4/h8,10,12,19-21H,6-7,9,11,13-14H2,1-5H3/t19?,20?,21?,24-,25-,26-,27-/m0/s1	C27H33FO8	504.545	8	0	113.04	4	8	0	0.765599999999996	3.30587	3.44	2.295	124.6379	126.694	3.6648	484.056370345198
Cond-005410	NPD5470	NPD5470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4370966233	OC(=O)CCc1cc(C(=O)O)c(CCC(=O)O)cc1C(=O)O	InChI=1S/C14H14O8/c15-11(16)3-1-7-5-10(14(21)22)8(2-4-12(17)18)6-9(7)13(19)20/h5-6H,1-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)	C14H14O8	310.256	8	4	149.2	1	8	0	-0.7648	1.03108	2.12	0.444	47.7064	75.0297000000001	2.1412	279.310387461023
Cond-005411	NPD5472	NPD5472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0034608549	[C@@H](C(C)C)(N1C(=S)S/C(=C/c2ccc(OC)cc2)/C1=O)C(=O)O	InChI=1S/C16H17NO4S2/c1-9(2)13(15(19)20)17-14(18)12(23-16(17)22)8-10-4-6-11(21-3)7-5-10/h4-9,13H,1-3H3,(H,19,20)/b12-8+/t13-/m0/s1	C16H17NO4S2	351.44	5	1	124.23	2	5	0	1.395	3.05678	2.45	2.712	69.9405	96.4488	2.5064	314.399799533079
Cond-005412	NPD5473	NPD5473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1709849406	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1	InChI=1S/C46H60O6/c1-29(2)11-10-12-30(3)32-15-20-39-37-18-16-33-25-36(21-24-46(33,6)40(37)22-23-45(39,5)27-32)51-42(47)28-49-35-17-19-38-41(26-35)50-31(4)44(43(38)48)52-34-13-8-7-9-14-34/h7-9,13-14,16-17,19,26,29-30,32,36-37,39-40H,10-12,15,18,20-25,27-28H2,1-6H3/t30?,32?,36?,37?,39?,40?,45-,46+/m1/s1	C46H60O6	708.965	6	0	71.06	7	12	2	1.0592	12.88294	5.86	15.971	152.358	213.094499999999	5.75200000000001	722.253313780431
Cond-005413	NPD5474	NPD5474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5484987373	CCOc1ccc(Oc2c(C)oc3cc(OCC(=O)OC4CC[C@]5(C)C6CC[C@]7(C)CC(CCC7C6CC=C5C4)C(C)CCCC(C)C)ccc3c2=O)cc1	InChI=1S/C48H64O7/c1-8-51-35-14-16-36(17-15-35)55-46-32(5)53-43-27-37(18-20-40(43)45(46)50)52-29-44(49)54-38-22-25-48(7)34(26-38)13-19-39-41-21-12-33(31(4)11-9-10-30(2)3)28-47(41,6)24-23-42(39)48/h13-18,20,27,30-31,33,38-39,41-42H,8-12,19,21-26,28-29H2,1-7H3/t31?,33?,38?,39?,41?,42?,47-,48+/m1/s1	C48H64O7	753.018	7	0	80.29	7	14	2	1.2578	13.28164	5.97	15.739	163.9676	224.263499999999	6.09250000000002	765.635509732726
Cond-005414	NPD5475	NPD5475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3163408474	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1)OC(=O)COc1ccc2c(=O)c(Oc3ccc(Br)cc3)c(C)oc2c1	InChI=1S/C46H59BrO6/c1-28(2)8-7-9-29(3)31-10-19-39-37-17-11-32-24-36(20-23-46(32,6)40(37)21-22-45(39,5)26-31)52-42(48)27-50-35-16-18-38-41(25-35)51-30(4)44(43(38)49)53-34-14-12-33(47)13-15-34/h11-16,18,25,28-29,31,36-37,39-40H,7-10,17,19-24,26-27H2,1-6H3/t29?,31?,36?,37?,39?,40?,45-,46+/m1/s1	C46H59BrO6	787.861	6	0	71.06	7	12	2	1.948	13.64544	5.75	16.194	160.9571	220.794499999999	5.92700000000001	741.536932757998
Cond-005415	NPD5476	NPD5476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6786081751	COc1cc(Oc2c(C)oc3cc(OCC(=O)OC4CC[C@]5(C)C6CC[C@]7(C)CC(CCC7C6CC=C5C4)C(C)CCCC(C)C)ccc3c2=O)ccc1	InChI=1S/C47H62O7/c1-29(2)10-8-11-30(3)32-14-19-40-38-17-15-33-24-37(20-23-47(33,6)41(38)21-22-46(40,5)27-32)53-43(48)28-51-35-16-18-39-42(26-35)52-31(4)45(44(39)49)54-36-13-9-12-34(25-36)50-7/h9,12-13,15-16,18,25-26,29-30,32,37-38,40-41H,8,10-11,14,17,19-24,27-28H2,1-7H3/t30?,32?,37?,38?,40?,41?,46-,47+/m1/s1	C47H62O7	738.991	7	0	80.29	7	13	2	1.0074	12.89154	5.86	15.316	159.6738	219.646499999999	5.95160000000002	748.339525106859
Cond-005416	NPD5477	NPD5477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.253390702	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1)OC(=O)COc1cc(O)c2c(=O)cc(oc2c1)c1ccccc1	InChI=1S/C45H58O6/c1-28(2)10-9-11-29(3)31-14-17-36-35-16-15-32-22-33(18-21-45(32,5)37(35)19-20-44(36,4)26-31)50-42(48)27-49-34-23-38(46)43-39(47)25-40(51-41(43)24-34)30-12-7-6-8-13-30/h6-8,12-13,15,23-25,28-29,31,33,35-37,46H,9-11,14,16-22,26-27H2,1-5H3/t29?,31?,33?,35?,36?,37?,44-,45+/m1/s1	C45H58O6	694.938	6	1	82.06	7	11	2	0.6536	10.94316	5.75	14.971	148.1682	204.272799999999	5.61110000000001	704.957329154565
Cond-005417	NPD5478	NPD5478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4941539613	CCCc1c(C)c2ccc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2oc1=O	InChI=1S/C25H29NO6S/c1-6-7-21-17(5)20-13-10-18(14-22(20)32-24(21)27)31-25(28)23(15(2)3)26-33(29,30)19-11-8-16(4)9-12-19/h8-15,23,26H,6-7H2,1-5H3/t23-/m1/s1	C25H29NO6S	471.566	7	1	107.15	3	9	1	0.4834	5.18158000000001	3.33	5.995	73.8739	124.1817	3.5338	440.605714407002
Cond-005418	NPD5479	NPD5479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.917500702	CC(NCc1c2oc(=O)cc(c3ccccc3)c2ccc1O)C(=O)O	InChI=1S/C19H17NO5/c1-11(19(23)24)20-10-15-16(21)8-7-13-14(9-17(22)25-18(13)15)12-5-3-2-4-6-12/h2-9,11,20-21H,10H2,1H3,(H,23,24)	C19H17NO5	339.342	6	3	95.86	3	5	0	-1.1403	2.94337	2.89	4.402	42.3327	97.3715	2.4662	309.53055589364
Cond-005419	NPD548	NPD548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5401174168	CC(CC=C(c1ccccc1)c1ccccc1)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C36H46O/c1-25(14-16-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27)32-18-19-33-31-17-15-28-24-29(37)20-22-35(28,2)34(31)21-23-36(32,33)3/h4-13,15-16,25,29,31-34,37H,14,17-24H2,1-3H3/t25?,29?,31?,32?,33?,34?,35-,36+/m0/s1	C36H46O	494.75	1	1	20.23	6	5	1	1.0933	8.82788	5.31	15.428	103.0555	153.6118	4.2441	522.971710121364
Cond-005420	NPD5480	NPD5480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.757646619	CC(C)C(NCc1c2oc(=O)cc(c3ccccc3)c2ccc1O)C(=O)O	InChI=1S/C21H21NO5/c1-12(2)19(21(25)26)22-11-16-17(23)9-8-14-15(10-18(24)27-20(14)16)13-6-4-3-5-7-13/h3-10,12,19,22-23H,11H2,1-2H3,(H,25,26)	C21H21NO5	367.395	6	3	95.86	3	6	1	-0.6187	3.57947	3.11	5.057	50.7018	106.5355	2.748	344.122525145374
Cond-005421	NPD5481	NPD5481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.600318024	CC(C)C(NCc1c2oc(=O)c3c(cccc3)c2ccc1O)C(=O)O	InChI=1S/C19H19NO5/c1-10(2)16(18(22)23)20-9-14-15(21)8-7-12-11-5-3-4-6-13(11)19(24)25-17(12)14/h3-8,10,16,20-21H,9H2,1-2H3,(H,22,23)	C19H19NO5	341.358	6	3	95.86	3	5	0	-0.7842	3.39398	2.89	3.819	41.6784	99.4985	2.5092	312.16701459444
Cond-005422	NPD5482	NPD5482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.318024507	CCCCCCc1c(OC(=O)C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C33H35NO6S/c1-3-4-5-7-13-24-20-28-26-14-10-15-27(26)32(35)40-30(28)21-29(24)39-33(36)31(23-11-8-6-9-12-23)34-41(37,38)25-18-16-22(2)17-19-25/h6,8-9,11-12,16-21,31,34H,3-5,7,10,13-15H2,1-2H3	C33H35NO6S	573.699	7	1	107.15	5	12	2	-1.7587	7.54467	4.21	9.768	75.4812	157.1367	4.3148	535.451297909936
Cond-005423	NPD5484	NPD5484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	71.8080628566	CC1(C)CC(=O)c2c(C1)nc(c1c2c2ccccc2[nH]1)c1ccc(Cl)cc1	InChI=1S/C23H19ClN2O/c1-23(2)11-17-20(18(27)12-23)19-15-5-3-4-6-16(15)25-22(19)21(26-17)13-7-9-14(24)10-8-13/h3-10,25H,11-12H2,1-2H3	C23H19ClN2O	374.863	3	1	45.75	5	1	1	1.3303	6.53687	3.55	5.942	37.1901	116.898	2.757	320.612039471063
Cond-005424	NPD5485	NPD5485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0434009915	Cc1cn2c(=O)c3ccccc3nc2n2c(=O)c3ccccc3nc12	InChI=1S/C19H12N4O2/c1-11-10-22-17(24)12-6-2-5-9-15(12)21-19(22)23-16(11)20-14-8-4-3-7-13(14)18(23)25/h2-10H,1H3	C19H12N4O2	328.324	6	0	65.34	5	0	0	-0.2886	2.92326	2.89	3.804	41.1236	97.5515	2.2863	286.164321613257
Cond-005425	NPD5486	NPD5486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.736413806	Cc1c(c(=O)c2c(o1)cc(O)cc2)c1ccc(N)cc1	InChI=1S/C16H13NO3/c1-9-15(10-2-4-11(17)5-3-10)16(19)13-7-6-12(18)8-14(13)20-9/h2-8,18H,17H2,1H3	C16H13NO3	267.279	4	3	72.55	3	1	0	-1.3632	2.76638	2.78	2.644	27.9105	78.4732	1.9691	242.698607315717
Cond-005426	NPD5487	NPD5487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6131325414	[C@@H](CCCNC(=N)N)(NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O	InChI=1S/C16H29N5O5/c1-16(2,3)26-15(25)21-9-5-7-11(21)12(22)20-10(13(23)24)6-4-8-19-14(17)18/h10-11H,4-9H2,1-3H3,(H,20,22)(H,23,24)(H4,17,18,19)/t10-,11-/m0/s1	C16H29N5O5	371.432	10	6	157.84	1	12	1	-1.8375	-0.18344	2.12	-1.254	81.8702	97.5333000000001	2.8749	361.324853754307
Cond-005427	NPD5488	NPD5488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0153400056	[C@@H](CCCNC(=N)N)(NS(=O)(=O)c1ccc(C)cc1)C(=O)O	InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1	C13H20N4O4S	328.387	8	6	153.75	1	9	0	-1.7253	0.45717	1.9	-0.554	48.9209	79.9173	2.4142	294.622478324779
Cond-005428	NPD5489	NPD5489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0442428211	[C@@H](CCCNC(=N)N)(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O	InChI=1S/C13H20N4O5S/c1-22-9-4-6-10(7-5-9)23(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1	C13H20N4O5S	344.387	9	6	162.98	1	10	0	-2.4191	0.43775	1.79	-1.532	50.7346	82.8293	2.4729	303.41270502534
Cond-005429	NPD549	NPD549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.53765324	CC(C)COc1ccc(cc1)C(=O)N/C(=C/c1ccc2OCOc2c1)/C(=O)O	InChI=1S/C21H21NO6/c1-13(2)11-26-16-6-4-15(5-7-16)20(23)22-17(21(24)25)9-14-3-8-18-19(10-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,25)/b17-9+	C21H21NO6	383.395	7	2	94.09	3	8	0	-0.725900000000001	3.85757	3	4.003	52.3783	106.661	2.8067	352.912751845935
Cond-005430	NPD5490	NPD5490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3061453559	[C@@H](CCCNC(=N)NN(=O)=O)(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)OC	InChI=1S/C20H30N6O7/c1-13(2)16(24-20(29)33-12-14-8-5-4-6-9-14)17(27)23-15(18(28)32-3)10-7-11-22-19(21)25-26(30)31/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,23,27)(H,24,29)(H3,21,22,25)/t15-,16?/m0/s1	C20H30N6O7	466.488	13	5	184.78	1	18	1	-0.811100000000002	-0.20144	2.23	4.304	79.4734	121.4005	3.4837	437.640171063863
Cond-005431	NPD5491	NPD5491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.916658872	Cc1ccc(cc1)S(=O)(=O)NC1(CCCCC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	InChI=1S/C20H31N5O5S/c1-14-7-9-15(10-8-14)31(29,30)25-20(11-3-2-4-12-20)18(28)24-16(17(26)27)6-5-13-23-19(21)22/h7-10,16,25H,2-6,11-13H2,1H3,(H,24,28)(H,26,27)(H4,21,22,23)/t16-/m1/s1	C20H31N5O5S	453.556	10	7	182.85	2	12	2	-2.9978	1.27627	2.45	0.199	76.3038	113.876	3.4074	420.488440212975
Cond-005432	NPD5492	NPD5492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5969507062	COc1cc(/C=C/2\SC(=S)N(CC(=O)N3C[C@H]4CC(C3)c3cccc(=O)n3C4)C2=O)ccc1	InChI=1S/C24H23N3O4S2/c1-31-18-5-2-4-15(9-18)10-20-23(30)27(24(32)33-20)14-22(29)25-11-16-8-17(13-25)19-6-3-7-21(28)26(19)12-16/h2-7,9-10,16-17H,8,11-14H2,1H3/b20-10-/t16-,17?/m1/s1	C24H23N3O4S2	481.587	7	0	127.55	5	5	0	-0.385300000000001	2.56056	3.11	1.599	109.073	131.627	3.3784	429.782444751547
Cond-005433	NPD5493	NPD5493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.094378449	Cc1ccc2nc(O)c(CC(=O)O)c(c3ccccc3)c2c1	InChI=1S/C18H15NO3/c1-11-7-8-15-13(9-11)17(12-5-3-2-4-6-12)14(10-16(20)21)18(22)19-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)	C18H15NO3	293.317	4	2	70.42	3	3	1	-0.0233000000000003	4.32059	3	5.347	19.8352	91.4108000000001	2.2079	263.754117866651
Cond-005434	NPD5494	NPD5494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.788233093	C[C@@H]1NC(=O)/C(=C\c2ccc(C)cc2)/NC1=O	InChI=1S/C13H14N2O2/c1-8-3-5-10(6-4-8)7-11-13(17)14-9(2)12(16)15-11/h3-7,9H,1-2H3,(H,14,17)(H,15,16)/b11-7+/t9-/m0/s1	C13H14N2O2	230.262	4	2	58.2	2	1	0	-0.7124	0.7412	2.45	4.231	39.2529	65.9874	1.7821	221.546563048123
Cond-005435	NPD5496	NPD5496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1735104293	CC(C)C[C@@H]1NC(=O)/C(=C\c2ccccc2Cl)/NC1=O	InChI=1S/C15H17ClN2O2/c1-9(2)7-12-14(19)18-13(15(20)17-12)8-10-5-3-4-6-11(10)16/h3-6,8-9,12H,7H2,1-2H3,(H,17,20)(H,18,19)/b13-8+/t12-/m0/s1	C15H17ClN2O2	292.761	4	2	58.2	2	3	0	0.167099999999998	2.39278	2.56	4.595	52.1873	81.1384	2.1863	271.349600070289
Cond-005436	NPD5497	NPD5497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2211205687	CCC(C)[C@@H]1NC(=O)/C(=C\c2ccccc2)/NC1=O	InChI=1S/C15H18N2O2/c1-3-10(2)13-15(19)16-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3,(H,16,19)(H,17,18)/b12-9+/t10?,13-/m0/s1	C15H18N2O2	258.316	4	2	58.2	2	3	1	-1.509	1.73938	2.67	5.132	45.1977	76.1284	2.0639	256.138532299856
Cond-005437	NPD5498	NPD5498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.745767468	[C@H]1(NC(=O)/C(=C/c2c(Cl)cccc2)/NC1=O)C(C)CC	InChI=1S/C15H17ClN2O2/c1-3-9(2)13-15(20)17-12(14(19)18-13)8-10-6-4-5-7-11(10)16/h4-9,13H,3H2,1-2H3,(H,17,20)(H,18,19)/b12-8-/t9?,13-/m0/s1	C15H17ClN2O2	292.761	4	2	58.2	2	3	0	-0.764700000000002	2.39278	2.56	4.384	50.8133	81.1384	2.1863	271.349600070289
Cond-005438	NPD5499	NPD5499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0714619774	COc1c(OC)c(cc(c1)/C=C/C(=O)O)S(=O)(=O)NCCCC(=O)O	InChI=1S/C15H19NO8S/c1-23-11-8-10(5-6-14(19)20)9-12(15(11)24-2)25(21,22)16-7-3-4-13(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/b6-5+	C15H19NO8S	373.378	9	3	147.61	1	10	0	-1.4002	0.947880000000003	2.01	0.122	62.6283	85.0423000000001	2.5884	328.748615053457
Cond-005439	NPD55	NPD55	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2681017613	COc1cc(OC)c(/C=C/2\N=C(OC2=O)c2cc(OC)c(OC)c(OC)c2)cc1	InChI=1S/C21H21NO7/c1-24-14-7-6-12(16(11-14)25-2)8-15-21(23)29-20(22-15)13-9-17(26-3)19(28-5)18(10-13)27-4/h6-11H,1-5H3/b15-8-	C21H21NO7	399.394	8	0	84.81	3	7	0	-0.294399999999999	3.12528	2.89	2.683	58.7156	108.431	2.8654	361.702978546496
Cond-005440	NPD550	NPD550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4623676429	COc1ccc(CN2C(=O)N(C(C)C)C(N(O)C(=O)NC(C)C)C2(C)C)cc1	InChI=1S/C20H32N4O4/c1-13(2)21-18(25)24(27)17-20(5,6)22(19(26)23(17)14(3)4)12-15-8-10-16(28-7)11-9-15/h8-11,13-14,17,27H,12H2,1-7H3,(H,21,25)	C20H32N4O4	392.492	8	2	85.35	2	8	0	-0.9252	2.51359	2.78	2.668	81.8139	108.1662	3.1284	384.828887947447
Cond-005441	NPD5500	NPD5500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3512300065	CC1(C)O[C@H]2OC([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1	InChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)/t18-,19+,20?,21-,23-/m1/s1	C25H30N4O9S	562.592	13	3	171.79	5	9	1	-3.1093	2.68147	2.67	1.632	83.5721	134.8321	3.83510000000001	477.890216432386
Cond-005442	NPD5501	NPD5501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6964736694	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C21H25NO8/c1-10(24)22-17-19(26)18(25)16(9-23)30-21(17)28-11-6-7-13-12-4-2-3-5-14(12)20(27)29-15(13)8-11/h6-8,16-19,21,23,25-26H,2-5,9H2,1H3,(H,22,24)/t16-,17-,18-,19-,21-/m1/s1	C21H25NO8	419.425	9	4	134.55	4	5	0	-2.8375	0.807670000000003	2.78	1.464	75.0033	107.7001	2.9445	376.946122648658
Cond-005443	NPD5502	NPD5502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7653166215	CO[C@H]1O[C@H](CO)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C13H20O9/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-14H,5H2,1-4H3/t9-,10-,11+,12+,13+/m1/s1	C13H20O9	320.292	9	1	117.59	1	8	0	-0.967600000000001	-0.62101	1.9	-0.674	68.1291	72.6608	2.231	292.250464338917
Cond-005444	NPD5503	NPD5503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.3150313348	NNC(=O)c1cc2c([nH]c3c2cccc3)c(n1)c1ccccc1	InChI=1S/C18H14N4O/c19-22-18(23)15-10-13-12-8-4-5-9-14(12)20-17(13)16(21-15)11-6-2-1-3-7-11/h1-10,20H,19H2,(H,22,23)	C18H14N4O	302.33	5	4	83.8	4	3	0	-1.6507	3.33187	2.89	3.87	16.0256	97.1091	2.2383	253.271027688429
Cond-005445	NPD5504	NPD5504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.5086521373	[nH]1c2c(cccc2)c2c1c(ncc2)c1ccccc1	InChI=1S/C17H12N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11,19H	C17H12N2	244.291	2	1	28.68	4	1	1	-0.4204	4.75998	3.11	5.453	3.3	82.434	1.8821	207.827754646467
Cond-005446	NPD5505	NPD5505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.4967729866	COC(=O)c1cc2c([nH]c3c2cccc3)c(n1)c1cccc(C)c1	InChI=1S/C20H16N2O2/c1-12-6-5-7-13(10-12)18-19-15(11-17(22-18)20(23)24-2)14-8-3-4-9-16(14)21-19/h3-11,21H,1-2H3	C20H16N2O2	316.353	4	1	54.98	4	3	1	0.2328	4.54299	3.22	5.722	20.7905	100.435	2.3792	274.65970322439
Cond-005447	NPD5506	NPD5506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	50.7529697877	NNC(=O)c1cc2c([nH]c3c2cccc3)c(CCc2ccccc2)n1	InChI=1S/C20H18N4O/c21-24-20(25)18-12-15-14-8-4-5-9-16(14)23-19(15)17(22-18)11-10-13-6-2-1-3-7-13/h1-9,12,23H,10-11,21H2,(H,24,25)	C20H18N4O	330.383	5	4	83.8	4	5	1	-1.3327	3.40167	3.11	5.219	25.3428	104.6391	2.5201	287.862996940163
Cond-005448	NPD5508	NPD5508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8469740904	CCC(C)[C@@H]1NC(=O)/C(=C\c2ccccc2F)/NC1=O	InChI=1S/C15H17FN2O2/c1-3-9(2)13-15(20)17-12(14(19)18-13)8-10-6-4-5-7-11(10)16/h4-9,13H,3H2,1-2H3,(H,17,20)(H,18,19)/b12-8+/t9?,13-/m0/s1	C15H17FN2O2	276.306	4	2	58.2	2	3	0	-1.0293	1.87848	2.56	4.247	46.0702	76.0864	2.0816	262.206091150162
Cond-005449	NPD5509	NPD5509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7058273314	COC(=O)c1c(C)cc(COc2ccc3c(oc(=O)c4c3cccc4)c2)o1	InChI=1S/C21H16O6/c1-12-9-14(26-19(12)21(23)24-2)11-25-13-7-8-16-15-5-3-4-6-17(15)20(22)27-18(16)10-13/h3-10H,11H2,1-2H3	C21H16O6	364.348	6	0	74.97	4	5	0	0.2655	4.0317	3.11	4.983	31.7326	102.4955	2.5553	316.023074236168
Cond-005450	NPD551	NPD551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8160469667	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)c1c(Cl)cccc1	InChI=1S/C34H49ClO2/c1-4-5-6-7-8-9-12-24-16-18-29-27-17-15-25-23-26(37-32(36)28-13-10-11-14-31(28)35)19-21-34(25,3)30(27)20-22-33(24,29)2/h10-11,13-15,24,26-27,29-30H,4-9,12,16-23H2,1-3H3/t24?,26-,27?,29?,30?,33+,34-/m0/s1	C34H49ClO2	525.205	2	0	26.3	5	10	1	0.0458999999999995	10.08958	4.87	13.8	116.949	156.593	4.381	543.546870143825
Cond-005451	NPD5510	NPD5510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.077448321	CCCCCCc1c(OCc2cc(C)c(o2)C(=O)OC)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C26H30O6/c1-4-5-6-7-9-17-13-21-19-10-8-11-20(19)25(27)32-23(21)14-22(17)30-15-18-12-16(2)24(31-18)26(28)29-3/h12-14H,4-11,15H2,1-3H3	C26H30O6	438.513	6	0	74.97	4	10	1	-0.8594	6.31850000000001	3.66	6.21	74.6639	127.796	3.3458	418.675914767102
Cond-005452	NPD5511	NPD5511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8070339538	CCc1cc(=O)oc2cc(OC/C=C(/C)\CCC=C(C)C)c(Cl)cc12	InChI=1S/C21H25ClO3/c1-5-16-11-21(23)25-19-13-20(18(22)12-17(16)19)24-10-9-15(4)8-6-7-14(2)3/h7,9,11-13H,5-6,8,10H2,1-4H3/b15-9-	C21H25ClO3	360.874	3	0	35.53	2	7	1	3.7715	6.52825000000001	3.33	5.696	81.633	106.974	2.8478	359.285755408919
Cond-005453	NPD5512	NPD5512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0255354971	CC(=CCC/C(=C\COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)/C)C	InChI=1S/C28H32O3/c1-19(2)10-9-11-20(3)16-17-30-26-15-14-24-21(4)25(18-23-12-7-6-8-13-23)28(29)31-27(24)22(26)5/h6-8,10,12-16H,9,11,17-18H2,1-5H3/b20-16-	C28H32O3	416.552	3	0	35.53	3	8	1	4.3716	7.68117000000001	4.21	8.8	80.1271	132.403	3.4741	433.980745216353
Cond-005454	NPD5513	NPD5513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1888504349	COc1cc2c(cc1)c1ccc(OC/C=C(/C)\CCC=C(C)C)cc1oc2=O	InChI=1S/C24H26O4/c1-16(2)6-5-7-17(3)12-13-27-19-9-11-21-20-10-8-18(26-4)14-22(20)24(25)28-23(21)15-19/h6,8-12,14-15H,5,7,13H2,1-4H3/b17-12-	C24H26O4	378.461	4	0	44.76	3	7	1	2.503	6.33626	3.66	5.989	63.9593	116.732	3.0122	376.223492114247
Cond-005455	NPD5514	NPD5514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8307922552	CSCCC(N/C=C\1/C(=O)N=C(O)N=C1O)C(=O)O	InChI=1S/C10H13N3O5S/c1-19-3-2-6(9(16)17)11-4-5-7(14)12-10(18)13-8(5)15/h4,6,11H,2-3H2,1H3,(H,16,17)(H2,12,13,14,15,18)	C10H13N3O5S	287.292	8	4	156.88	1	6	0	-1.7103	0.0323600000000005	1.57	1.084	64.7917	75.3791	1.9504	251.427990939572
Cond-005456	NPD5515	NPD5515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9064633804	CCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)ccc12	InChI=1S/C21H28N4O6/c1-3-5-13-10-18(26)31-17-11-14(7-8-15(13)17)30-12(2)19(27)25-16(20(28)29)6-4-9-24-21(22)23/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,25,27)(H,28,29)(H4,22,23,24)/t12?,16-/m0/s1	C21H28N4O6	432.47	10	6	163.83	2	13	1	-2.4254	1.94104	2.67	0.486	79.5501	118.0113	3.2577	411.795949872036
Cond-005457	NPD5516	NPD5516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6250116921	COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(C)cc1)C(C)C	InChI=1S/C19H28N2O5S/c1-13(2)17(19(23)26-4)20-18(22)15-6-5-11-21(12-15)27(24,25)16-9-7-14(3)8-10-16/h7-10,13,15,17H,5-6,11-12H2,1-4H3,(H,20,22)/t15-,17-/m1/s1	C19H28N2O5S	396.501	7	1	101.16	2	8	0	-0.656199999999999	2.1769	2.67	2.633	74.0736	99.2887	3.0101	372.838633663408
Cond-005458	NPD5517	NPD5517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.262744364	Oc1nc2cccc3c2c(c1)c1c(cccc1)C3=O	InChI=1S/C16H9NO2/c18-14-8-12-9-4-1-2-5-10(9)16(19)11-6-3-7-13(17-14)15(11)12/h1-8H,(H,17,18)	C16H9NO2	247.248	3	1	50.19	4	0	0	-0.7241	3.57378	2.89	3.77	7.9106	77.2228	1.7588	208.015463213556
Cond-005459	NPD5518	NPD5518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.146291273	CCOC(=O)c1c2c3c(cccc3)C(=O)c3c2c(ccc3)nc1O	InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	C19H13NO4	319.311	5	1	76.49	4	3	0	-0.4625	3.75048	3	4.18	24.1928	93.1793	2.2559	274.847411791479
Cond-005460	NPD552	NPD552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4336668117	CC(Oc1ccc2c(oc(=O)cc2c2ccccc2)c1)C(=O)c1ccccc1	InChI=1S/C24H18O4/c1-16(24(26)18-10-6-3-7-11-18)27-19-12-13-20-21(17-8-4-2-5-9-17)15-23(25)28-22(20)14-19/h2-16H,1H3	C24H18O4	370.397	4	0	52.6	4	5	1	-0.4493	5.23947	3.66	8.2	31.5017	110.7025	2.7746	345.057657311046
Cond-005461	NPD5520	NPD5520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8162306872	[C@@H]12CSC(C)(C)N1C(=O)N(C2=O)c1ccc(OC)cc1	InChI=1S/C14H16N2O3S/c1-14(2)16-11(8-20-14)12(17)15(13(16)18)9-4-6-10(19-3)7-5-9/h4-7,11H,8H2,1-3H3/t11-/m0/s1	C14H16N2O3S	292.353	5	0	75.15	3	2	0	-0.2353	2.44038	2.34	2.237	52.1264	81.318	2.0796	256.42179843215
Cond-005462	NPD5521	NPD5521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9614311319	[C@@H]12CCCN1C(=O)N(C2=O)c1ccc(OC)cc1	InChI=1S/C13H14N2O3/c1-18-10-6-4-9(5-7-10)15-12(16)11-3-2-8-14(11)13(15)17/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1	C13H14N2O3	246.262	5	0	49.85	3	2	0	-1.5245	1.75128	2.34	1.463	36.0581	68.882	1.7752	220.616789748684
Cond-005463	NPD5522	NPD5522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.575039136	[C@@H]12CCCN1C(=O)CN(CCc1ccccc1)C2=O	InChI=1S/C15H18N2O2/c18-14-11-16(10-8-12-5-2-1-3-6-12)15(19)13-7-4-9-17(13)14/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1	C15H18N2O2	258.316	4	0	40.62	3	3	0	-1.9257	1.29619	2.67	2.925	42.4672	74.704	1.9983	246.418532299856
Cond-005464	NPD5523	NPD5523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.1126891576	COc1ccc(cc1)c1c/c(=N\c2c(C)cc(C)cc2)/c2c(o1)cccc2	InChI=1S/C24H21NO2/c1-16-8-13-21(17(2)14-16)25-22-15-24(18-9-11-19(26-3)12-10-18)27-23-7-5-4-6-20(22)23/h4-15H,1-3H3/b25-22+	C24H21NO2	355.429	3	0	30.82	4	3	1	0.8868	5.19541	3.77	7.578	36.1134	109.216	2.8	341.110422818891
Cond-005465	NPD5524	NPD5524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.3150622774	COc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1cc2c(OCO2)cc1	InChI=1S/C23H17NO4/c1-25-17-9-7-16(8-10-17)24-19-13-22(28-20-5-3-2-4-18(19)20)15-6-11-21-23(12-15)27-14-26-21/h2-13H,14H2,1H3/b24-19+	C23H17NO4	371.385	5	0	49.28	5	3	1	-0.6999	5.69476	3.44	5.971	32.5813	110.678	2.6679	329.038432893346
Cond-005466	NPD5525	NPD5525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5230619144	CCOc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1cc2c(OCO2)cc1	InChI=1S/C24H19NO4/c1-2-26-18-10-8-17(9-11-18)25-20-14-23(29-21-6-4-3-5-19(20)21)16-7-12-22-24(13-16)28-15-27-22/h3-14H,2,15H2,1H3/b25-20+	C24H19NO4	385.412	5	0	49.28	5	4	1	-0.449499999999999	6.08486	3.55	6.394	36.8751	115.295	2.8088	346.334417519213
Cond-005467	NPD5526	NPD5526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3625246727	CC(=O)Nc1ccc(cc1)/N=c\1/cc(oc2c1cccc2)c1cc2c(OCO2)cc1	InChI=1S/C24H18N2O4/c1-15(27)25-17-7-9-18(10-8-17)26-20-13-23(30-21-5-3-2-4-19(20)21)16-6-11-22-24(12-16)29-14-28-22/h2-13H,14H2,1H3,(H,25,27)/b26-20-	C24H18N2O4	398.411	6	1	69.15	5	4	1	-1.273	6.47854	3.44	5.661	38.1314	121.9157	2.8656	354.69471902658
Cond-005468	NPD5527	NPD5527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4239172357	COc1c(/C=C/c2cc(=O)c3c(C)oc(C)c3c(OC)c2)cccc1	InChI=1S/C21H20O4/c1-13-20-17(22)11-15(12-19(24-4)21(20)14(2)25-13)9-10-16-7-5-6-8-18(16)23-3/h5-12H,1-4H3/b10-9+	C21H20O4	336.381	4	0	48.67	3	4	0	1.0118	3.73231	3.33	4.449	62.05	98.738	2.5895	324.335538236646
Cond-005469	NPD5528	NPD5528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9705515348	COc1cc(cc(=O)c2c(C)oc(C)c12)c1ccc(I)o1	InChI=1S/C16H13IO4/c1-8-15-11(18)6-10(12-4-5-14(17)21-12)7-13(19-3)16(15)9(2)20-8/h4-7H,1-3H3	C16H13IO4	396.176	4	0	52.58	3	2	0	1.5889	3.43892	2.67	3.535	60.1139	88.299	2.2292	268.405334179177
Cond-005470	NPD5529	NPD5529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9649250176	CCOc1cc(/C=C/c2c(OC)cccc2)cc(=O)c2c(C)oc(C)c12	InChI=1S/C22H22O4/c1-5-25-20-13-16(10-11-17-8-6-7-9-19(17)24-4)12-18(23)21-14(2)26-15(3)22(20)21/h6-13H,5H2,1-4H3/b11-10+	C22H22O4	350.408	4	0	48.67	3	5	0	1.2622	4.12241	3.44	4.872	66.3438	103.355	2.7304	341.631522862513
Cond-005471	NPD553	NPD553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.7939090135	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C31H42N2O5/c1-20(34)31(37)16-12-27-25-9-6-22-18-23(10-14-29(22,2)26(25)11-15-30(27,31)3)33-38-19-28(36)32-17-13-21-4-7-24(35)8-5-21/h4-5,7-8,18,25-27,35,37H,6,9-17,19H2,1-3H3,(H,32,36)/b33-23-/t25?,26?,27?,29-,30-,31-/m0/s1	C31H42N2O5	522.676	7	3	108.22	5	8	0	-0.708900000000004	5.01617000000001	4.1	4.715	119.7621	150.6723	4.1256	519.539131612208
Cond-005472	NPD5530	NPD5530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5380583978	Cc1c2c(c(C)o1)c(O)cc(cc2=O)c1cccs1	InChI=1S/C15H12O3S/c1-8-14-11(16)6-10(13-4-3-5-19-13)7-12(17)15(14)9(2)18-8/h3-7,16H,1-2H3	C15H12O3S	272.319	3	1	78.68	3	1	0	1.1219	3.21442	2.67	2.908	47.1711	76.8128	1.9349	235.551345240084
Cond-005473	NPD5532	NPD5532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3806293532	COc1cc2cc3c(cc(OC)c(OC)c3)c(=O)cc2cc1OC	InChI=1S/C19H18O5/c1-21-16-7-11-5-13-9-18(23-3)19(24-4)10-14(13)15(20)6-12(11)8-17(16)22-2/h5-10H,1-4H3	C19H18O5	326.343	5	0	53.99	3	4	0	-0.0332999999999998	1.12957	3	1.956	52.7311	91.602	2.4094	301.170254386273
Cond-005474	NPD5533	NPD5533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	10.7811330172	O=C1C(=O)/C(=C/c2ccccc2)/CCC/C/1=C/c1ccccc1	InChI=1S/C21H18O2/c22-20-18(14-16-8-3-1-4-9-16)12-7-13-19(21(20)23)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14-,19-15+	C21H18O2	302.366	2	0	34.14	3	2	1	-0.1464	4.34417	3.55	8.105	41.5314	93.822	2.4291	304.118626134724
Cond-005475	NPD5534	NPD5534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8867436532	Cn1c(=O)n(C)c2c(cnc(n2)N2CCOCC2)c1=O	InChI=1S/C12H15N5O3/c1-15-9-8(10(18)16(2)12(15)19)7-13-11(14-9)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3	C12H15N5O3	277.279	8	0	78.87	3	1	0	-0.641099999999997	0.32858	1.9	-0.98	49.6434	75.019	1.9337	236.311085747317
Cond-005476	NPD5535	NPD5535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4221702929	CNc1cnnc2c1c(=O)n(C)c(=O)n2C	InChI=1S/C9H11N5O2/c1-10-5-4-11-12-7-6(5)8(15)14(3)9(16)13(7)2/h4H,1-3H3,(H,10,12)	C9H11N5O2	221.216	7	1	78.43	2	1	0	-0.864700000000001	0.53368	1.68	-0.849	35.2742	61.5337	1.5609	187.989363869956
Cond-005477	NPD5536	NPD5536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.687433355	Cn1c(=O)n(C)c2c(c1=O)c(NCc1ccccc1)cnn2	InChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)11(9-17-18-13)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,18)	C15H15N5O2	297.312	7	1	78.43	3	3	0	-0.955400000000001	1.76458	2.34	2.059	34.2897	84.9997	2.1687	260.599436821956
Cond-005478	NPD5537	NPD5537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2225196815	CC/C(=C/1\C(=O)OC(=O)\C1=C/c1cn(C)c2c1cccc2)/C	InChI=1S/C18H17NO3/c1-4-11(2)16-14(17(20)22-18(16)21)9-12-10-19(3)15-8-6-5-7-13(12)15/h5-10H,4H2,1-3H3/b14-9-,16-11-	C18H17NO3	295.332	4	0	48.3	3	2	0	1.1986	3.75416	3	3.818	52.6574	87.938	2.2509	277.290576567451
Cond-005479	NPD5538	NPD5538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2333416521	Cn1c(C)c(/C=C(\C(=O)O)/C(=C(C)C)C(=O)O)c2c1cccc2	InChI=1S/C18H19NO4/c1-10(2)16(18(22)23)14(17(20)21)9-13-11(3)19(4)15-8-6-5-7-12(13)15/h5-9H,1-4H3,(H,20,21)(H,22,23)/b14-9-	C18H19NO4	313.348	5	2	79.53	2	4	0	1.7082	3.47788	2.89	3.58	56.7469	91.1336000000001	2.4182	298.437261968812
Cond-005480	NPD5539	NPD5539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.6735939379	COc1ccc(cc1OC)C(=O)CC(=O)c1c(O)c2ccccc2cc1	InChI=1S/C21H18O5/c1-25-19-10-8-14(11-20(19)26-2)17(22)12-18(23)16-9-7-13-5-3-4-6-15(13)21(16)24/h3-11,24H,12H2,1-2H3	C21H18O5	350.365	5	1	72.83	3	6	0	-1.0567	3.98669	3.22	4.911	32.4374	101.4583	2.6052	319.589306236407
Cond-005481	NPD554	NPD554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6577473553	Cc1ccc(cc1)S(=O)(=O)NCCCC(=O)Oc1cc2c(cc1)c(=O)cc(o2)c1ccccc1	InChI=1S/C26H23NO6S/c1-18-9-12-21(13-10-18)34(30,31)27-15-5-8-26(29)32-20-11-14-22-23(28)17-24(33-25(22)16-20)19-6-3-2-4-7-19/h2-4,6-7,9-14,16-17,27H,5,8,15H2,1H3	C26H23NO6S	477.529	7	1	107.15	4	9	1	-1.1308	5.56157	3.44	6.648	51.6447	127.9582	3.4371	426.735864229669
Cond-005482	NPD5540	NPD5540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6905869274	O[C@@]12Nc3c(c(=O)[nH]c(=O)[nH]3)[C@]1(O)C(=O)c1c2cccc1	InChI=1S/C13H9N3O5/c17-8-5-3-1-2-4-6(5)13(21)12(8,20)7-9(16-13)14-11(19)15-10(7)18/h1-4,20-21H,(H3,14,15,16,18,19)/t12-,13+/m0/s1	C13H9N3O5	287.228	8	5	127.76	4	0	0	-2.3394	-2.40362	2.01	0.56	40.4022	68.2612	1.7978	231.564627255573
Cond-005483	NPD5541	NPD5541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5600426526	CN(C)c1ccc(cc1)/C=N/[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/b16-7+/t11-,12-,13-,14-,15-/m1/s1	C15H22N2O5	310.346	7	4	105.75	2	4	0	-1.9816	-1.13091	2.34	0.264	55.1078	82.9452	2.326	287.78212980314
Cond-005484	NPD5542	NPD5542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.812396488	COc1ccc(/C=N/[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	InChI=1S/C14H19NO6/c1-20-9-4-2-8(3-5-9)6-15-11-13(18)12(17)10(7-16)21-14(11)19/h2-6,10-14,16-19H,7H2,1H3/b15-6+/t10-,11-,12-,13-,14-/m1/s1	C14H19NO6	297.304	7	4	111.74	2	4	0	-2.2512	-1.18831	2.23	0.221	48.1322	75.1702	2.144	268.279611669667
Cond-005485	NPD5544	NPD5544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9590035619	COc1c(OC)cc(cc1)c1[o+]c2c(cccc2)cc1	InChI=1S/C17H15O3/c1-18-16-10-8-13(11-17(16)19-2)15-9-7-12-5-3-4-6-14(12)20-15/h3-11H,1-2H3/q+1	C17H15O3+	267.299	3	1	18.46	3	3	0	-0.1036	4.16705	3	4.022	14.6316	82.18	2.0532	251.634290434217
Cond-005486	NPD5545	NPD5545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.511173628	COc1ccc(CC(N)c2cc(OC)c(OC)cc2)cc1OC	InChI=1S/C18H23NO4/c1-20-15-7-5-12(10-17(15)22-3)9-14(19)13-6-8-16(21-2)18(11-13)23-4/h5-8,10-11,14H,9,19H2,1-4H3	C18H23NO4	317.38	5	2	62.94	2	7	0	-0.9451	3.12319	2.89	2.603	41.7486	91.0074000000001	2.5042	303.710179370412
Cond-005487	NPD5546	NPD5546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5237425415	CC(=O)OC[C@@H]1OC(On2c(=O)c3c(cccc3)nc2c2ccccc2)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C28H28N2O11/c1-15(31)36-14-22-23(37-16(2)32)24(38-17(3)33)25(39-18(4)34)28(40-22)41-30-26(19-10-6-5-7-11-19)29-21-13-9-8-12-20(21)27(30)35/h5-13,22-25,28H,14H2,1-4H3/t22-,23-,24+,25-,28?/m0/s1	C28H28N2O11	568.529	13	0	156.33	4	12	2	-1.2909	1.95478	3.11	4.66	85.224	143.3985	3.9487	508.666703134775
Cond-005488	NPD5547	NPD5547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1918007124	COc1c(OC)cc(cc1)[C@H](O)c1nccn1C	InChI=1S/C13H16N2O3/c1-15-7-6-14-13(15)12(16)9-4-5-10(17-2)11(8-9)18-3/h4-8,12,16H,1-3H3/t12-/m0/s1	C13H16N2O3	248.278	5	1	56.51	2	4	0	-0.4988	2.02629	2.34	0.954	29.1888	67.4588000000001	1.8838	222.073248449484
Cond-005489	NPD5548	NPD5548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8015745173	COc1ccc(cc1)[C@@H](O)c1nccn1C	InChI=1S/C12H14N2O2/c1-14-8-7-13-12(14)11(15)9-3-5-10(16-2)6-4-9/h3-8,11,15H,1-2H3/t11-/m1/s1	C12H14N2O2	218.252	4	1	47.28	2	3	0	-0.447	2.01769	2.34	1.398	21.873	60.9068	1.6842	195.987037123056
Cond-005490	NPD5549	NPD5549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6996619552	COc1c(OC)c(ccc1)C(O)c1nccn1C	InChI=1S/C13H16N2O3/c1-15-8-7-14-13(15)11(16)9-5-4-6-10(17-2)12(9)18-3/h4-8,11,16H,1-3H3	C13H16N2O3	248.278	5	1	56.51	2	4	0	-0.4988	2.58179	2.34	0.954	29.1888	69.7858000000001	1.8838	222.073248449484
Cond-005491	NPD555	NPD555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.5818594533	COc1ccc(cc1OC)C1(CNC(=O)C2COc3c(O2)cccc3)CCCC1	InChI=1S/C23H27NO5/c1-26-17-10-9-16(13-20(17)27-2)23(11-5-6-12-23)15-24-22(25)21-14-28-18-7-3-4-8-19(18)29-21/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,25)	C23H27NO5	397.464	6	1	66.02	4	7	0	-2.0015	4.20648	3.33	4.208	56.233	114.3587	3.0072	371.630953097908
Cond-005492	NPD5550	NPD5550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8469496563	CC(C)CCOCC(=O)Nc1ccc(cc1)C(=O)O	InChI=1S/C14H19NO4/c1-10(2)7-8-19-9-13(16)15-12-5-3-11(4-6-12)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)	C14H19NO4	265.305	5	2	75.63	1	8	0	-0.934	2.35439	2.45	2.619	42.7335	75.3265	2.0922	260.419158268545
Cond-005493	NPD5551	NPD5551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.315357216	Cc1cc(Cc2cc(C)c(O)c(c2)C(=O)O)cc(C(=O)O)c1O	InChI=1S/C17H16O6/c1-8-3-10(6-12(14(8)18)16(20)21)5-11-4-9(2)15(19)13(7-11)17(22)23/h3-4,6-7,18-19H,5H2,1-2H3,(H,20,21)(H,22,23)	C17H16O6	316.305	6	4	115.06	2	4	0	0.34	2.40184	2.67	3.935	35.173	85.1699000000001	2.2949	287.724970535901
Cond-005494	NPD5552	NPD5552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6308959321	CCC(C)c1cc(cc(C(=O)O)c1O)C(=O)O	InChI=1S/C12H14O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3,(H,14,15)(H,16,17)	C12H14O5	238.237	5	3	94.83	1	4	0	-1.0432	2.64108	2.23	3.048	34.3488	66.1721000000001	1.7693	223.620655509206
Cond-005495	NPD5553	NPD5553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8068153459	OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)cc1	InChI=1S/C21H16N2O5/c24-19(12-11-16-4-3-13-28-16)23-18-6-2-1-5-17(18)20(25)22-15-9-7-14(8-10-15)21(26)27/h1-13H,(H,22,25)(H,23,24)(H,26,27)/b12-11+	C21H16N2O5	376.362	7	3	108.64	3	8	0	-1.3024	3.66768	3	4.606	33.9649	106.1277	2.7188	336.309909251141
Cond-005496	NPD5554	NPD5554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.631236246	COc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O	InChI=1S/C16H15NO5/c1-22-14-5-3-2-4-10(14)8-15(19)17-13-7-6-11(18)9-12(13)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)	C16H15NO5	301.294	6	3	95.86	2	6	0	-1.3519	2.24859	2.56	2.617	29.0904	83.4153	2.1951	272.635519417639
Cond-005497	NPD5556	NPD5556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3914513238	OC[C@@H]1OC([C@@H](O)[C@H]1O)n1c(S)nc2c1nc[nH]c2=O	InChI=1S/C10H12N4O5S/c15-1-3-5(16)6(17)9(19-3)14-7-4(13-10(14)20)8(18)12-2-11-7/h2-3,5-6,9,15-17H,1H2,(H,13,20)(H,11,12,18)/t3-,5-,6-,9?/m0/s1	C10H12N4O5S	300.291	9	4	168	3	2	0	-1.6872	-1.42343	1.46	-1.692	53.9784	73.5131	1.876	229.448292446939
Cond-005498	NPD5557	NPD5557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8905778524	CSc1nc2c(nc[nH]c2=O)n1C1O[C@@H](CO)[C@H](O)[C@@H]1O	InChI=1S/C11H14N4O5S/c1-21-11-14-5-8(12-3-13-9(5)19)15(11)10-7(18)6(17)4(2-16)20-10/h3-4,6-7,10,16-18H,2H2,1H3,(H,12,13,19)/t4-,6-,7-,10?/m0/s1	C11H14N4O5S	314.318	9	4	154.5	3	3	0	-1.5053	-0.99023	1.57	-1.328	58.777	78.0421	2.0169	246.744277072806
Cond-005499	NPD5558	NPD5558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7558590648	CC(C)N1CCN(CC1)c1nc2c([nH]1)ncnc2N	InChI=1S/C12H19N7/c1-8(2)18-3-5-19(6-4-18)12-16-9-10(13)14-7-15-11(9)17-12/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17)	C12H19N7	261.326	7	3	86.96	3	2	0	-1.0453	1.19917	2.01	-0.044	47.3622	78.5734	2.0002	223.670384762767
Cond-005500	NPD5559	NPD5559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3673798126	CC(=O)/N=c/1\[nH]c(nc2c1c(=O)oc1c2cccc1)c1ccccc1	InChI=1S/C19H13N3O3/c1-11(23)20-18-15-16(13-9-5-6-10-14(13)25-19(15)24)21-17(22-18)12-7-3-2-4-8-12/h2-10H,1H3,(H,20,21,22,23)	C19H13N3O3	331.325	6	1	80.12	4	2	1	-1.4674	2.26057	2.89	5.664	39.781	96.2237	2.3538	296.314246806451
Cond-005501	NPD556	NPD556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.4041781933	COc1cc2c([nH]c3c2CCNC3c2ccc(OC)c(COc3cc(C)c(cc3)N(=O)=O)c2)cc1	InChI=1S/C27H27N3O5/c1-16-12-20(6-8-24(16)30(31)32)35-15-18-13-17(4-9-25(18)34-3)26-27-21(10-11-28-26)22-14-19(33-2)5-7-23(22)29-27/h4-9,12-14,26,28-29H,10-11,15H2,1-3H3	C27H27N3O5	473.52	8	2	98.65	5	7	1	0.432	5.19251	3.55	5.018	49.5169	137.0507	3.4898	418.106118513708
Cond-005502	NPD5560	NPD5560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7139778116	COC(=O)c1ccc(cc1)c1nc2c(c(=O)oc3c2cccc3)c(N)n1	InChI=1S/C19H13N3O4/c1-25-18(23)11-8-6-10(7-9-11)17-21-15-12-4-2-3-5-13(12)26-19(24)14(15)16(20)22-17/h2-9H,1H3,(H2,20,21,22)	C19H13N3O4	347.324	7	2	104.4	4	3	0	-0.8298	4.08836	2.78	3.535	22.5022	102.5469	2.4125	294.204473507012
Cond-005503	NPD5561	NPD5561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3293327586	COc1cc2c(cc1OC)c1c([nH]2)c(ncn1)N(C)C	InChI=1S/C14H16N4O2/c1-18(2)14-13-12(15-7-16-14)8-5-10(19-3)11(20-4)6-9(8)17-13/h5-7,17H,1-4H3	C14H16N4O2	272.302	6	1	63.27	3	3	0	-0.306200000000001	2.92797	2.34	0.925	32.223	82.381	2.014	226.679609389523
Cond-005504	NPD5562	NPD5562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4347392064	COc1cc2c(cc1OC)c1c([nH]2)c(=O)[nH]cn1	InChI=1S/C12H11N3O3/c1-17-8-3-6-7(4-9(8)18-2)15-11-10(6)13-5-14-12(11)16/h3-5,15H,1-2H3,(H,13,14,16)	C12H11N3O3	245.234	6	2	75.71	3	2	0	-1.193	0.972480000000001	2.12	0.742	32.9241	71.2897	1.6911	200.781106630184
Cond-005505	NPD5563	NPD5563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0057853302	COc1cc2c(cc1OC)c1c([nH]2)c(=O)n(CCC2=CCCCC2)cn1	InChI=1S/C20H23N3O3/c1-25-16-10-14-15(11-17(16)26-2)22-19-18(14)21-12-23(20(19)24)9-8-13-6-4-3-5-7-13/h6,10-12,22H,3-5,7-9H2,1-2H3	C20H23N3O3	353.415	6	1	66.92	4	5	0	-0.911600000000001	3.90676	3	3.042	66.327	106.799	2.6667	324.156066235519
Cond-005506	NPD5564	NPD5564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9300315357	COc1cc2c(cc1OC)c1c([nH]2)c(=O)n(Cc2ccco2)cn1	InChI=1S/C17H15N3O4/c1-22-13-6-11-12(7-14(13)23-2)19-16-15(11)18-9-20(17(16)21)8-10-4-3-5-24-10/h3-7,9,19H,8H2,1-2H3	C17H15N3O4	325.319	7	1	80.06	4	4	0	-1.3355	2.52457	2.56	1.766	39.2554	95.119	2.2597	267.521880357679
Cond-005507	NPD5565	NPD5565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8284592872	COc1cc2c(cc1OC)c1c([nH]2)c(OC)ncn1	InChI=1S/C13H13N3O3/c1-17-9-4-7-8(5-10(9)18-2)16-12-11(7)14-6-15-13(12)19-3/h4-6,16H,1-3H3	C13H13N3O3	259.261	6	1	69.26	3	3	0	-0.5758	2.87057	2.23	0.882	25.2474	74.606	1.832	207.17709125605
Cond-005508	NPD5566	NPD5566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5761054518	CCOc1ncnc2c1[nH]c1c2cc(OC)c(OC)c1	InChI=1S/C14H15N3O3/c1-4-20-14-13-12(15-7-16-14)8-5-10(18-2)11(19-3)6-9(8)17-13/h5-7,17H,4H2,1-3H3	C14H15N3O3	273.287	6	1	69.26	3	4	0	-0.3254	3.26067	2.34	1.305	29.5412	79.223	1.9729	224.473075881917
Cond-005509	NPD5568	NPD5568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1261882615	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCC(Cc3ccccc3)CC2)cc1	InChI=1S/C26H31N3O2/c1-31-21-7-8-24-22(16-21)23-17-29(14-11-25(23)27-24)26(30)18-28-12-9-20(10-13-28)15-19-5-3-2-4-6-19/h2-8,16,20,27H,9-15,17-18H2,1H3	C26H31N3O2	417.543	5	1	48.57	5	6	1	-2.0981	3.83358000000001	3.77	5.721	60.6583	127.242	3.3018	393.248829888558
Cond-005510	NPD5569	NPD5569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7942464324	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCCC(C)(C)C2)cc1	InChI=1S/C21H29N3O2/c1-21(2)8-4-9-23(14-21)13-20(25)24-10-7-19-17(12-24)16-11-15(26-3)5-6-18(16)22-19/h5-6,11,22H,4,7-10,12-14H2,1-3H3	C21H29N3O2	355.474	5	1	48.57	4	4	0	-0.848599999999997	3.00088	3.22	2.429	68.6794	107.387	2.8349	337.934741562425
Cond-005511	NPD557	NPD557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.6122771909	CCCCCCCCOc1ccc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1	InChI=1S/C33H44N4O5/c1-4-5-6-7-8-9-17-42-27-15-13-24(14-16-27)19-33(30(39)34(2)32(41)35(3)31(33)40)23-36-20-25-18-26(22-36)28-11-10-12-29(38)37(28)21-25/h10-16,25-26H,4-9,17-23H2,1-3H3/t25-,26-/m1/s1	C33H44N4O5	576.726	9	0	90.47	5	12	1	-3.1458	4.32547000000001	4.1	4.537	127.6892	162.062	4.521	570.851703878674
Cond-005512	NPD5570	NPD5570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5055924859	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCC3(CC2)OCCO3)cc1	InChI=1S/C21H27N3O4/c1-26-15-2-3-18-16(12-15)17-13-24(7-4-19(17)22-18)20(25)14-23-8-5-21(6-9-23)27-10-11-28-21/h2-3,12,22H,4-11,13-14H2,1H3	C21H27N3O4	385.457	7	1	67.03	5	4	0	-2.3782	1.71778	3	0.957	68.0641	108.241	2.8437	343.158736262747
Cond-005513	NPD5571	NPD5571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0954692924	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CCC(C)CC2)cc1	InChI=1S/C20H27N3O2/c1-14-5-8-22(9-6-14)13-20(24)23-10-7-19-17(12-23)16-11-15(25-2)3-4-18(16)21-19/h3-4,11,14,21H,5-10,12-13H2,1-2H3	C20H27N3O2	341.447	5	1	48.57	4	4	0	-1.9798	2.61078	3.11	2.245	61.6362	102.77	2.694	320.638756936558
Cond-005514	NPD5572	NPD5572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0574222384	COc1cc2c([nH]c3c2CN(CC3)C(=O)CN2CC(C)CC(C)C2)cc1	InChI=1S/C21H29N3O2/c1-14-8-15(2)11-23(10-14)13-21(25)24-7-6-20-18(12-24)17-9-16(26-3)4-5-19(17)22-20/h4-5,9,14-15,22H,6-8,10-13H2,1-3H3	C21H29N3O2	355.474	5	1	48.57	4	4	0	-1.208	2.85678	3.22	2.331	69.2137	107.317	2.8349	337.934741562425
Cond-005515	NPD5573	NPD5573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8089026023	Cc1cc2c([nH]c(C(=O)O)c2NC(=O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C23H24N4O4/c1-13-5-6-17-16(7-13)21(22(24-17)23(30)31)25-19(28)12-26-9-14-8-15(11-26)18-3-2-4-20(29)27(18)10-14/h2-7,14-15,24H,8-12H2,1H3,(H,25,28)(H,30,31)/t14-,15-/m1/s1	C23H24N4O4	420.461	8	3	105.74	5	5	0	-1.6093	1.81068	3.11	1.523	82.8618	118.4555	3.0533	378.201630919447
Cond-005516	NPD5574	NPD5574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2441636228	Clc1cc2c([nH]c3c2ncn(CCCn2ccnc2)c3=O)cc1	InChI=1S/C16H14ClN5O/c17-11-2-3-13-12(8-11)14-15(20-13)16(23)22(10-19-14)6-1-5-21-7-4-18-9-21/h2-4,7-10,20H,1,5-6H2	C16H14ClN5O	327.768	6	1	66.28	4	4	0	-0.5967	3.01307	2.45	2.146	39.1421	94.651	2.2647	261.059803816895
Cond-005517	NPD5575	NPD5575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.023209384	COCCn1cnc2c([nH]c3c2cc(Cl)cc3)c1=O	InChI=1S/C13H12ClN3O2/c1-19-5-4-17-7-15-11-9-6-8(14)2-3-10(9)16-12(11)13(17)18/h2-3,6-7,16H,4-5H2,1H3	C13H12ClN3O2	277.706	5	1	57.69	3	3	0	-0.373699999999999	2.37267	2.23	1.678	40.6483	79.683	1.8957	224.497932325923
Cond-005518	NPD5576	NPD5576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.4418177281	Cn1c(C)c(/C=C/C(=O)c2ccccc2)c2c1cccc2	InChI=1S/C19H17NO/c1-14-16(17-10-6-7-11-18(17)20(14)2)12-13-19(21)15-8-4-3-5-9-15/h3-13H,1-2H3/b13-12+	C19H17NO	275.344	2	0	22	3	3	1	0.6523	4.29329	3.33	6.036	29.9167	89.366	2.2314	263.469649091395
Cond-005519	NPD5577	NPD5577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.2672595685	COc1cc2c(cc1OC)c(OC)nc(n2)c1ccccc1	InChI=1S/C17H16N2O3/c1-20-14-9-12-13(10-15(14)21-2)18-16(19-17(12)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3	C17H16N2O3	296.321	5	0	53.47	3	4	0	-0.1554	4.18138	2.78	4.071	21.9474	87.5960000000001	2.2098	260.091352149751
Cond-005520	NPD5578	NPD5578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.142931688	CC(C)CCOc1ccc(cc1)C(=O)NCC(=O)NCC(=O)O	InChI=1S/C16H22N2O5/c1-11(2)7-8-23-13-5-3-12(4-6-13)16(22)18-9-14(19)17-10-15(20)21/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)	C16H22N2O5	322.356	7	3	104.73	1	11	1	-1.7706	1.27599	2.45	1.791	54.737	87.6137000000001	2.4895	312.161655728207
Cond-005521	NPD558	NPD558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2570763041	CCCC1OC[C@@]2(COC(=O)Nc3ccccc3)C(C)C=C(C)C1[C@H]2C	InChI=1S/C22H31NO3/c1-5-9-19-20-15(2)12-16(3)22(13-25-19,17(20)4)14-26-21(24)23-18-10-7-6-8-11-18/h6-8,10-12,16-17,19-20H,5,9,13-14H2,1-4H3,(H,23,24)/t16?,17-,19?,20?,22-/m1/s1	C22H31NO3	357.486	4	1	47.56	3	7	1	-0.0131000000000016	5.39297000000001	3.44	5.834	72.8207	106.8957	2.9435	365.283891173319
Cond-005522	NPD5580	NPD5580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3841232389	COc1ccc(cc1OC)C1(CCN)CCCC1	InChI=1S/C15H23NO2/c1-17-13-6-5-12(11-14(13)18-2)15(9-10-16)7-3-4-8-15/h5-6,11H,3-4,7-10,16H2,1-2H3	C15H23NO2	249.349	3	2	44.48	2	5	0	-1.4073	3.36519	2.78	3.449	46.1922	75.4244	2.0931	253.051148194089
Cond-005523	NPD5581	NPD5581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8015745173	COc1c(OC2O[C@@H](COC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)ccc(c1)C(=O)NCC1OCCc2c1cccc2	InChI=1S/C32H37NO13/c1-17(34)41-16-27-28(42-18(2)35)29(43-19(3)36)30(44-20(4)37)32(46-27)45-24-11-10-22(14-25(24)39-5)31(38)33-15-26-23-9-7-6-8-21(23)12-13-40-26/h6-11,14,26-30,32H,12-13,15-16H2,1-5H3,(H,33,38)/t26?,27-,28-,29+,30-,32?/m0/s1	C32H37NO13	643.635	14	1	171.22	4	16	2	-1.3031	2.59448	3.44	3.573	105.2344	161.2762	4.5729	587.070793531995
Cond-005524	NPD5582	NPD5582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2965265331	OC(=O)CCC(=O)C1COc2c(O1)cccc2	InChI=1S/C12H12O5/c13-8(5-6-12(14)15)11-7-16-9-3-1-2-4-10(9)17-11/h1-4,11H,5-7H2,(H,14,15)	C12H12O5	236.221	5	1	72.83	2	4	0	-0.8877	1.99498	2.23	0.818	32.9369	63.5338	1.6607	211.264196808406
Cond-005525	NPD5583	NPD5583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9139687365	COc1ccc(cc1OC)C1(CNCc2ccc(cc2)N(=O)=O)CCC(O)CC1	InChI=1S/C22H28N2O5/c1-28-20-8-5-17(13-21(20)29-2)22(11-9-19(25)10-12-22)15-23-14-16-3-6-18(7-4-16)24(26)27/h3-8,13,19,23,25H,9-12,14-15H2,1-2H3	C22H28N2O5	400.468	7	2	93.86	3	8	0	-1.1724	3.65589000000001	3.11	4.127	55.383	112.7285	3.0747	377.688187381008
Cond-005526	NPD5584	NPD5584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	22.97797037	COc1ccc(cc1OC)C1(CN(C)C(=O)C2(CCCC2)c2ccccc2)CCOCC1	InChI=1S/C27H35NO4/c1-28(25(29)27(13-7-8-14-27)21-9-5-4-6-10-21)20-26(15-17-32-18-16-26)22-11-12-23(30-2)24(19-22)31-3/h4-6,9-12,19H,7-8,13-18,20H2,1-3H3	C27H35NO4	437.571	5	0	48	4	8	1	-1.435	4.95629000000001	3.88	6.211	73.2241	128.745	3.5121	432.024664900814
Cond-005527	NPD5585	NPD5585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3279261293	CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)OCCN(C)C)cc1	InChI=1S/C23H28N2O4/c1-17(2)29-20-12-10-18(11-13-20)16-21(23(27)28-15-14-25(3)4)24-22(26)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,24,26)/b21-16+	C23H28N2O4	396.479	6	1	67.87	2	11	2	-0.5658	3.40068	3.33	5.576	63.9097	115.7852	3.17950000000001	393.277486605513
Cond-005528	NPD5586	NPD5586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.923384078	CCCCOc1ccc(CNC(=O)CCCCCC(=O)O)cc1	InChI=1S/C18H27NO4/c1-2-3-13-23-16-11-9-15(10-12-16)14-19-17(20)7-5-4-6-8-18(21)22/h9-12H,2-8,13-14H2,1H3,(H,19,20)(H,21,22)	C18H27NO4	321.411	5	2	75.63	1	13	1	-2.3246	3.41119	2.89	3.546	55.2594	91.8995000000001	2.6558	329.603096772013
Cond-005529	NPD5587	NPD5587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3914513238	CC(C)COc1ccc(cc1)/C(=N/C(=C/c1ccccc1)/C(=O)NCCCCCC(=O)O)/O	InChI=1S/C26H32N2O5/c1-19(2)18-33-22-14-12-21(13-15-22)25(31)28-23(17-20-9-5-3-6-10-20)26(32)27-16-8-4-7-11-24(29)30/h3,5-6,9-10,12-15,17,19H,4,7-8,11,16,18H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/b23-17+	C26H32N2O5	452.543	7	3	108.22	2	14	2	-1.3224	4.77717000000001	3.55	6.725	71.3788	132.4693	3.6179	451.319208482875
Cond-005530	NPD5588	NPD5588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6546271298	CC1=CCCCC21CCc1c(cccc1)C2=O	InChI=1S/C16H18O/c1-12-6-4-5-10-16(12)11-9-13-7-2-3-8-14(13)15(16)17/h2-3,6-8H,4-5,9-11H2,1H3	C16H18O	226.314	1	0	17.07	3	0	1	0.435399999999999	3.82668	3.11	5.193	44.5267	71.886	1.8809	232.930769808828
Cond-005531	NPD5589	NPD5589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.409941693	CN(C)c1ccc(cc1)C1OCCC2(CCOC(C)(C)C2)O1	InChI=1S/C18H27NO3/c1-17(2)13-18(10-12-21-17)9-11-20-16(22-18)14-5-7-15(8-6-14)19(3)4/h5-8,16H,9-13H2,1-4H3	C18H27NO3	305.412	4	0	30.93	3	2	0	-0.2935	3.1748	3	3.25	58.5102	86.382	2.4659	301.372870071451
Cond-005532	NPD559	NPD559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.6461807523	CC12CC(CC(C)(C)C1)N(C2)C(=O)c1c(O)c2c(cc1)C(=O)c1c(cccc1)C2=O	InChI=1S/C25H25NO4/c1-24(2)10-14-11-25(3,12-24)13-26(14)23(30)18-9-8-17-19(22(18)29)21(28)16-7-5-4-6-15(16)20(17)27/h4-9,14,29H,10-13H2,1-3H3	C25H25NO4	403.47	5	1	74.68	5	2	1	0.1059	4.54738000000001	3.66	5.077	64.8873	117.418	3.0357	379.80331954668
Cond-005533	NPD5590	NPD5590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8340404292	COc1cc2c(cc1)c1c([nH]2)c(C)[n+](CC(=O)N2CCOCC2)cc1	InChI=1S/C19H21N3O3/c1-13-19-16(15-4-3-14(24-2)11-17(15)20-19)5-6-22(13)12-18(23)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3/p+1	C19H22N3O3+	340.396	6	1	58.44	4	4	0	-2.4209	2.9162	2.89	1.354	48.8197	101.816	2.5473	297.278310960052
Cond-005534	NPD5592	NPD5592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4005263516	CN(C)CC(CC(=C)C(=O)c1ccccc1)C(=O)c1ccccc1	InChI=1S/C21H23NO2/c1-16(20(23)17-10-6-4-7-11-17)14-19(15-22(2)3)21(24)18-12-8-5-9-13-18/h4-13,19H,1,14-15H2,2-3H3	C21H23NO2	321.413	3	0	37.38	2	8	1	0.3902	3.77088	3.44	5.505	46.9989	100.0975	2.6805	330.108303744491
Cond-005535	NPD5593	NPD5593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1663225719	CC1(C)CC(Cc2ccccc2)(CCO1)C(=O)O	InChI=1S/C15H20O3/c1-14(2)11-15(13(16)17,8-9-18-14)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)	C15H20O3	248.318	3	1	46.53	2	3	0	0.875000000000001	3.12299	2.78	4.49	43.7465	72.7228	2.009	248.208155985684
Cond-005536	NPD5594	NPD5594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.0379563037	CC1(C)CC2(CCO1)OC(=O)CC2C(=S)N	InChI=1S/C11H17NO3S/c1-10(2)6-11(3-4-14-10)7(9(12)16)5-8(13)15-11/h7H,3-6H2,1-2H3,(H2,12,16)	C11H17NO3S	243.323	4	2	93.64	2	1	0	0.00439999999999952	1.39729	2.12	0.335	60.0742	66.2234	1.7947	224.702919149583
Cond-005537	NPD5595	NPD5595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6972343853	O=C1CC(c2csc(n2)C2CC(=O)OC32CCCCC3)C2(CCCCC2)O1	InChI=1S/C21H27NO4S/c23-17-11-14(20(25-17)7-3-1-4-8-20)16-13-27-19(22-16)15-12-18(24)26-21(15)9-5-2-6-10-21/h13-15H,1-12H2	C21H27NO4S	389.508	5	0	93.73	5	2	0	-1.4096	5.24898000000001	3.11	4.281	74.9637	104.93	2.8506	353.210698604813
Cond-005538	NPD5596	NPD5596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8141434308	NC(=N)NCCCC1NC(=S)N(C1=O)c1ccccc1	InChI=1S/C13H17N5OS/c14-12(15)16-8-4-7-10-11(19)18(13(20)17-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,20)(H4,14,15,16)	C13H17N5OS	291.372	6	5	126.33	2	6	0	-1.0431	1.30055	2.12	2.735	47.9329	86.2675	2.1863	264.255641029662
Cond-005539	NPD5597	NPD5597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.7422692107	COc1ccc(/C=C\C(=O)NCC2(CCCC2)c2ccc(OC)c(OC)c2)cc1OC	InChI=1S/C25H31NO5/c1-28-20-10-7-18(15-22(20)30-3)8-12-24(27)26-17-25(13-5-6-14-25)19-9-11-21(29-2)23(16-19)31-4/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,26,27)/b12-8-	C25H31NO5	425.517	6	1	66.02	3	10	0	-1.2903	4.41358	3.55	4.775	69.8349	123.4627	3.3546	415.942922349641
Cond-005540	NPD5598	NPD5598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.1549107244	CCCCOc1ccc(cc1)C1CC(=O)C2=C(C1)CC(C1C2C(=O)OC1=O)c1ccc(OCCCC)cc1	InChI=1S/C32H36O6/c1-3-5-15-36-24-11-7-20(8-12-24)22-17-23-18-26(21-9-13-25(14-10-21)37-16-6-4-2)29-30(28(23)27(33)19-22)32(35)38-31(29)34/h7-14,22,26,29-30H,3-6,15-19H2,1-2H3	C32H36O6	516.625	6	0	78.9	5	10	1	-1.6888	6.45088000000001	4.32	6.232	88.2413	146.108	3.9966	504.822446419903
Cond-005541	NPD5599	NPD5599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.716745695	CCCCOc1ccc(/C=C/C2=CC(=O)CC(C2)c2ccc(OCCCC)cc2)cc1	InChI=1S/C28H34O3/c1-3-5-17-30-27-13-9-22(10-14-27)7-8-23-19-25(21-26(29)20-23)24-11-15-28(16-12-24)31-18-6-4-2/h7-16,20,25H,3-6,17-19,21H2,1-2H3/b8-7+	C28H34O3	418.568	3	0	35.53	3	11	2	-0.915000000000003	7.10807000000001	4.21	8.177	72.901	129.7	3.5171	436.617203917153
Cond-005542	NPD560	NPD560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8494170667	CCOC(=O)c1ccc(o1)c1coc2c(cc(CC)c(OC(=O)C)c2)c1=O	InChI=1S/C20H18O7/c1-4-12-8-13-18(9-17(12)26-11(3)21)25-10-14(19(13)22)15-6-7-16(27-15)20(23)24-5-2/h6-10H,4-5H2,1-3H3	C20H18O7	370.353	7	0	92.04	3	7	0	-0.3335	4.27355	2.89	3.838	55.2732	102.9735	2.6247	333.410233712463
Cond-005543	NPD5600	NPD5600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9359529914	Cc1ccc(cn1)C(O)CNC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C31H42N2O5/c1-19-4-5-20(17-32-19)26(35)18-33-28(36)10-11-29(37)38-27-9-8-24-23-7-6-21-16-22(34)12-14-30(21,2)25(23)13-15-31(24,27)3/h4-5,16-17,23-27,35H,6-15,18H2,1-3H3,(H,33,36)/t23?,24?,25?,26?,27?,30-,31-/m0/s1	C31H42N2O5	522.676	7	2	105.59	5	9	0	0.0059000000000009	4.76200000000001	4.1	4.239	118.6123	145.1725	4.1256	519.539131612208
Cond-005544	NPD5601	NPD5601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9139687365	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCC1CCC(CC1)C(=O)O	InChI=1S/C31H45NO6/c1-30-15-13-22(33)17-21(30)7-8-23-24-9-10-26(31(24,2)16-14-25(23)30)38-28(35)12-11-27(34)32-18-19-3-5-20(6-4-19)29(36)37/h17,19-20,23-26H,3-16,18H2,1-2H3,(H,32,34)(H,36,37)/t19?,20?,23?,24?,25?,26?,30-,31-/m0/s1	C31H45NO6	527.692	7	2	109.77	5	9	0	0.408900000000007	5.37758000000001	4.1	4.399	138.3682	144.8905	4.1705	533.505515506203
Cond-005545	NPD5602	NPD5602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.024956326	C[C@]12CC(O)C3C(CCC4=C/C(=N\OCC(=O)NCc5ccc(cc5)C(=O)O)/CC[C@]34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C31H40N2O8/c1-29-11-9-21(33-41-17-26(37)32-15-18-3-5-19(6-4-18)28(38)39)13-20(29)7-8-22-23-10-12-31(40,25(36)16-34)30(23,2)14-24(35)27(22)29/h3-6,13,22-24,27,34-35,40H,7-12,14-17H2,1-2H3,(H,32,37)(H,38,39)/b33-21-/t22?,23?,24?,27?,29-,30-,31-/m0/s1	C31H40N2O8	568.658	10	5	165.75	5	9	0	-2.1823	2.30447000000001	3.77	2.075	123.1779	152.9239	4.2587	543.273353013091
Cond-005546	NPD5604	NPD5604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.1758740386	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCc1cccs1	InChI=1S/C28H37NO4S/c1-27-13-11-19(30)16-18(27)5-6-21-22-7-8-24(28(22,2)14-12-23(21)27)33-26(32)10-9-25(31)29-17-20-4-3-15-34-20/h3-4,15-16,21-24H,5-14,17H2,1-2H3,(H,29,31)/t21?,22?,23?,24?,27-,28-/m0/s1	C28H37NO4S	483.663	5	1	100.71	5	8	1	0.667700000000002	4.92108000000001	3.88	5.133	114.7108	131.0247	3.7509	469.009673584281
Cond-005547	NPD5605	NPD5605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.9769040543	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCc1ccco1	InChI=1S/C28H37NO5/c1-27-13-11-19(30)16-18(27)5-6-21-22-7-8-24(28(22,2)14-12-23(21)27)34-26(32)10-9-25(31)29-17-20-4-3-15-33-20/h3-4,15-16,21-24H,5-14,17H2,1-2H3,(H,29,31)/t21?,22?,23?,24?,27-,28-/m0/s1	C28H37NO5	467.597	6	1	85.61	5	8	0	-0.0769999999999981	4.92108000000001	3.88	4.417	108.5364	131.0247	3.6461	459.290876227242
Cond-005548	NPD5606	NPD5606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0375252399	OC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	InChI=1S/C14H17N3O6/c18-11(16-8-13(20)21)6-15-12(19)7-17-14(22)23-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,19)(H,16,18)(H,17,22)(H,20,21)	C14H17N3O6	323.301	9	4	133.83	1	12	1	-2.1872	-0.87581	2.01	0.515	49.2933	80.7719	2.3232	294.720214684401
Cond-005549	NPD5607	NPD5607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7488712934	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)ON1C(=O)CCC1=O	InChI=1S/C29H35NO10/c1-27-11-9-17(31)13-16(27)3-4-18-19-10-12-29(38,28(19,2)14-20(32)26(18)27)21(33)15-39-24(36)7-8-25(37)40-30-22(34)5-6-23(30)35/h9,11,13,18-20,26,32,38H,3-8,10,12,14-15H2,1-2H3/t18?,19?,20?,26?,27-,28-,29+/m0/s1	C29H35NO10	557.589	11	2	164.58	5	9	0	-1.1987	1.16997	3.44	-0.267	137.7942	139.0866	3.9945	526.165076954314
Cond-005550	NPD5608	NPD5608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5366517685	COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C31H41NO9/c1-29-12-10-19(33)15-18(29)6-7-20-21-11-13-31(39,30(21,2)16-23(34)27(20)29)24(35)17-41-26(37)9-8-25(36)32-14-4-5-22(32)28(38)40-3/h10,12,15,20-23,27,34,39H,4-9,11,13-14,16-17H2,1-3H3/t20?,21?,22?,23?,27?,29-,30-,31+/m0/s1	C31H41NO9	571.659	10	2	147.51	5	10	0	-1.764	2.13897	3.77	0.946	143.3092	147.6096	4.2606	554.603278206286
Cond-005551	NPD5609	NPD5609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2678948204	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NCc1cscc1	InChI=1S/C30H37NO7S/c1-28-10-7-20(32)13-19(28)3-4-21-22-8-11-30(37,29(22,2)14-23(33)27(21)28)24(34)16-38-26(36)6-5-25(35)31-15-18-9-12-39-17-18/h7,9-10,12-13,17,21-23,27,33,37H,3-6,8,11,14-16H2,1-2H3,(H,31,35)/t21?,22?,23?,27?,28-,29-,30?/m0/s1	C30H37NO7S	555.682	8	3	158.24	5	10	0	-0.451499999999998	3.01337	3.77	2.09	129.9683	146.2683	4.1228	524.699405536097
Cond-005552	NPD561	NPD561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5861979718	CC1(C)OCC(O1)[C@H]1OC2OC(C)(C)OC2C1OC(=O)CCCNC(=O)OCc1ccccc1	InChI=1S/C24H33NO9/c1-23(2)29-14-16(32-23)18-19(20-21(31-18)34-24(3,4)33-20)30-17(26)11-8-12-25-22(27)28-13-15-9-6-5-7-10-15/h5-7,9-10,16,18-21H,8,11-14H2,1-4H3,(H,25,27)/t16?,18-,19?,20?,21?/m1/s1	C24H33NO9	479.52	10	1	110.78	4	11	1	-0.988199999999997	1.89119	3	3.778	89.7425	119.4437	3.4689	440.260761927619
Cond-005553	NPD5610	NPD5610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.946774962	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NCc1ccco1	InChI=1S/C30H37NO8/c1-28-11-9-19(32)14-18(28)5-6-21-22-10-12-30(37,29(22,2)15-23(33)27(21)28)24(34)17-39-26(36)8-7-25(35)31-16-20-4-3-13-38-20/h3-4,9,11,13-14,21-23,27,33,37H,5-8,10,12,15-17H2,1-2H3,(H,31,35)/t21?,22?,23?,27?,28-,29-,30?/m0/s1	C30H37NO8	539.617	9	3	143.14	5	10	0	-1.1962	2.52567000000001	3.77	1.374	123.7939	143.0863	4.018	514.980608179058
Cond-005554	NPD5611	NPD5611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6710302425	CSCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O	InChI=1S/C20H27N3O6S/c1-13(17(24)22-15(12-30-2)19(26)27)21-18(25)16-9-6-10-23(16)20(28)29-11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)	C20H27N3O6S	437.51	9	3	150.34	2	13	1	-1.8617	0.48319	2.56	2.931	80.2122	114.0062	3.2235	404.648687796402
Cond-005555	NPD5612	NPD5612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1653016312	Cc1cc2c(o1)c1c(CC=C2C)n(Cc2ccccc2)c(=O)c2ccccc12	InChI=1S/C25H21NO2/c1-16-12-13-22-23(24-21(16)14-17(2)28-24)19-10-6-7-11-20(19)25(27)26(22)15-18-8-4-3-5-9-18/h3-12,14H,13,15H2,1-2H3	C25H21NO2	367.44	3	0	33.45	5	2	1	0.4642	4.77429000000001	3.88	7.022	47.3975	111.966	2.8323	346.049948743958
Cond-005556	NPD5613	NPD5613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	25.7277037911	C[C@H]([C@H](O)c1ccccc1)N(C)c1cc(Nc2cccc(C)c2)c2c3c(onc13)c1c(cccc1)C2=O	InChI=1S/C31H27N3O3/c1-18-10-9-13-21(16-18)32-24-17-25(34(3)19(2)29(35)20-11-5-4-6-12-20)28-27-26(24)30(36)22-14-7-8-15-23(22)31(27)37-33-28/h4-17,19,29,32,35H,1-3H3/t19-,29+/m1/s1	C31H27N3O3	489.564	6	2	78.6	6	6	1	-0.590599999999999	7.05009000000001	4.21	8.101	39.621	149.9205	3.69840000000001	438.543768812853
Cond-005557	NPD5614	NPD5614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4260044921	COC(=O)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C14H18N2O3/c1-19-14(18)9-15-6-10-5-11(8-15)12-3-2-4-13(17)16(12)7-10/h2-4,10-11H,5-9H2,1H3/t10-,11-/m1/s1	C14H18N2O3	262.304	5	0	49.85	3	3	0	-0.945100000000002	0.47967	2.45	-0.309	71.3873	71.692	1.9591	251.44923307535
Cond-005558	NPD5616	NPD5616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.220487267	COP(=O)(OC)C(N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1	InChI=1S/C20H25N2O4P/c1-25-27(24,26-2)20(16-7-4-3-5-8-16)21-12-15-11-17(14-21)18-9-6-10-19(23)22(18)13-15/h3-10,15,17,20H,11-14H2,1-2H3/t15-,17+,20?/m0/s1	C20H25N2O4P	388.397	6	0	68.89	4	5	0	-0.744200000000002	2.50387	2.89	2.086	78.9251	100.6115	2.8732	355.313244836713
Cond-005559	NPD5617	NPD5617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.018416037	CCOC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C16H20N2O3S2/c1-2-21-15(20)10-23-16(22)17-7-11-6-12(9-17)13-4-3-5-14(19)18(13)8-11/h3-5,11-12H,2,6-10H2,1H3/t11-,12+/m0/s1	C16H20N2O3S2	352.472	5	0	107.24	3	6	0	0.665400000000001	1.88787	2.45	1.208	96.0101	96.498	2.5249	320.422791741485
Cond-005560	NPD5618	NPD5618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.704953041	CN(C[C@H](O)c1ccccc1)C(=O)c1ccccc1Br	InChI=1S/C16H16BrNO2/c1-18(11-15(19)12-7-3-2-4-8-12)16(20)13-9-5-6-10-14(13)17/h2-10,15,19H,11H2,1H3/t15-/m0/s1	C16H16BrNO2	334.208	3	1	40.54	2	5	0	-0.1428	2.88199	2.78	4.846	32.412	84.7478	2.237	268.184916994323
Cond-005561	NPD5619	NPD5619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.805988657	C[C@@H]([C@@H](O)c1ccccc1)N(C)CC(=O)N1CCOCC1	InChI=1S/C16H24N2O3/c1-13(16(20)14-6-4-3-5-7-14)17(2)12-15(19)18-8-10-21-11-9-18/h3-7,13,16,20H,8-12H2,1-2H3/t13-,16+/m0/s1	C16H24N2O3	292.373	5	1	53.01	2	6	0	-1.3386	0.791889999999999	2.67	1.673	56.3252	83.3578000000001	2.3495	287.497661027884
Cond-005562	NPD562	NPD562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7420819148	CCC(=O)N(CCC1(CCOC(C)(C)C1)Cc1ccccc1)Cc1ccc(OC)cc1	InChI=1S/C27H37NO3/c1-5-25(29)28(20-23-11-13-24(30-4)14-12-23)17-15-27(16-18-31-26(2,3)21-27)19-22-9-7-6-8-10-22/h6-14H,5,15-21H2,1-4H3	C27H37NO3	423.588	4	0	38.77	3	10	1	0.793099999999997	5.53639000000001	3.99	7.801	75.6086	127.65	3.562	435.590896901053
Cond-005563	NPD5620	NPD5620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.55114928	C[C@H]1[C@@H](OC(N1C)c1ccccc1O)c1ccccc1	InChI=1S/C17H19NO2/c1-12-16(13-8-4-3-5-9-13)20-17(18(12)2)14-10-6-7-11-15(14)19/h3-12,16-17,19H,1-2H3/t12-,16+,17?/m0/s1	C17H19NO2	269.338	3	1	32.7	3	2	0	-0.416199999999999	3.2257	3	4.765	28.6504	79.47	2.1373	256.477282642623
Cond-005564	NPD5621	NPD5621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.471997061	C[C@@H]([C@H](O)c1ccccc1)N(C)C(=S)NCC=C	InChI=1S/C14H20N2OS/c1-4-10-15-14(18)16(3)11(2)13(17)12-8-6-5-7-9-12/h4-9,11,13,17H,1,10H2,2-3H3,(H,15,18)/t11-,13-/m0/s1	C14H20N2OS	264.386	3	2	67.59	1	7	0	0.583	1.68589	2.56	3.999	53.7487	78.3765	2.1794	263.554262432628
Cond-005565	NPD5622	NPD5622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.763576661	C[C@@H]([C@H](O)c1ccccc1)N(C)C(=S)Nc1ccccc1	InChI=1S/C17H20N2OS/c1-13(16(20)14-9-5-3-6-10-14)19(2)17(21)18-15-11-7-4-8-12-15/h3-13,16,20H,1-2H3,(H,18,21)/t13-,16-/m0/s1	C17H20N2OS	300.418	3	2	67.59	2	6	1	-0.1361	3.69629	2.89	5.927	38.8893	90.7545	2.4075	286.912840207829
Cond-005566	NPD5623	NPD5623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.259385979	COc1c2C(C#CCNc3ccc(Sc4ccc(cc4)N(=O)=O)cc3)[NH+](C)CCc2cc2c1OCO2	InChI=1S/C27H25N3O5S/c1-29-15-13-18-16-24-26(35-17-34-24)27(33-2)25(18)23(29)4-3-14-28-19-5-9-21(10-6-19)36-22-11-7-20(8-12-22)30(31)32/h5-12,16,23,28H,13-15,17H2,1-2H3/p+1	C27H26N3O5S+	504.577	8	2	112.6	5	6	1	-0.0469999999999999	4.35946	3.44	5.094	61.3056	138.8424	3.6318	446.196913220908
Cond-005567	NPD5624	NPD5624	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.339709293	COc1c2C(C#CCNc3ccc(cc3C)N(=O)=O)N(C)CCc2cc2c1OCO2	InChI=1S/C22H23N3O5/c1-14-11-16(25(26)27)6-7-17(14)23-9-4-5-18-20-15(8-10-24(18)2)12-19-21(22(20)28-3)30-13-29-19/h6-7,11-12,18,23H,8-10,13H2,1-3H3	C22H23N3O5	409.435	8	1	86.1	4	4	0	1.4615	4.87509	3	3.146	61.9122	117.6507	2.9799	371.055571486774
Cond-005568	NPD5625	NPD5625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.063353923	Fc1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C18H18FN3OS/c19-14-4-6-15(7-5-14)20-18(24)21-9-12-8-13(11-21)16-2-1-3-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)/t12-,13+/m1/s1	C18H18FN3OS	343.418	4	1	67.67	4	3	0	-0.0166000000000009	3.44286	2.78	3.024	70.7449	97.6727	2.4487	307.460226490569
Cond-005569	NPD5626	NPD5626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.140163953	COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C	InChI=1S/C20H23NO4/c1-12(2)25-16-9-6-15(7-10-16)8-11-17(22)19-13(3)18(14(4)21-19)20(23)24-5/h6-12,21H,1-5H3/b11-8+	C20H23NO4	341.401	5	1	68.39	2	7	0	0.6677	3.35903	3.11	4.673	58.9269	98.9475	2.7	333.029231220546
Cond-005570	NPD5628	NPD5628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.9499414453	C1=C(/C(=C(\C)/O)/C(=O)C)c2c(cccc2)C(=O)C1=O	InChI=1S/C15H12O4/c1-8(16)14(9(2)17)12-7-13(18)15(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3/b14-8+	C15H12O4	256.253	4	1	71.44	2	2	0	-0.4674	2.23377	2.67	2.298	46.9223	71.6773	1.8957	246.452547883045
Cond-005571	NPD5629	NPD5629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	91.9332246435	Cc1cc2c([nH]c3c2CCCC3NC(=O)N)cc1	InChI=1S/C14H17N3O/c1-8-5-6-11-10(7-8)9-3-2-4-12(13(9)16-11)17-14(15)18/h5-7,12,16H,2-4H2,1H3,(H3,15,17,18)	C14H17N3O	243.304	4	4	70.91	3	2	0	-0.970100000000001	1.4218	2.56	2.059	32.8312	73.8861	1.8985	220.429081181595
Cond-005572	NPD563	NPD563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5851645517	[C@@H]1(CCCN1)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C21H19NO5/c1-13-20(26-14-6-3-2-4-7-14)19(23)16-10-9-15(12-18(16)25-13)27-21(24)17-8-5-11-22-17/h2-4,6-7,9-10,12,17,22H,5,8,11H2,1H3/t17-/m1/s1	C21H19NO5	365.379	6	1	73.86	4	5	0	-1.7913	4.39126	3.11	4.798	46.7406	104.9252	2.6394	331.766066444574
Cond-005573	NPD5630	NPD5630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3256561574	CCOC(=O)c1c(N)n2c(c1)C(=O)c1c2cccc1	InChI=1S/C14H12N2O3/c1-2-19-14(18)9-7-11-12(17)8-5-3-4-6-10(8)16(11)13(9)15/h3-7H,2,15H2,1H3	C14H12N2O3	256.257	5	2	73.8	3	3	0	-0.7389	1.77319	2.45	2.691	28.7483	73.0339	1.8301	221.73985697295
Cond-005574	NPD5631	NPD5631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.149165308	CCOC(=O)C1CCc2nc3ccccc3c(=O)n12	InChI=1S/C14H14N2O3/c1-2-19-14(18)11-7-8-12-15-10-6-4-3-5-9(10)13(17)16(11)12/h3-6,11H,2,7-8H2,1H3	C14H14N2O3	258.273	5	0	58.97	3	3	0	-0.7488	2.02948	2.45	2.166	40.7059	73.4195	1.8731	235.27631567375
Cond-005575	NPD5632	NPD5632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.3857034605	Brc1cc2c(cc1)n1ccnc3CCCc2c13	InChI=1S/C14H11BrN2/c15-9-4-5-13-11(8-9)10-2-1-3-12-14(10)17(13)7-6-16-12/h4-8H,1-3H2	C14H11BrN2	287.155	2	0	17.3	4	0	0	0.932	4.54908	2.67	3.543	23.7259	74.505	1.7634	194.032795848834
Cond-005576	NPD5633	NPD5633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5245815059	CC(C)[N+]1(Cc2ccccc2)C2=C(CN(C)CC2)c2c1cccc2	InChI=1S/C22H27N2/c1-17(2)24(16-18-9-5-4-6-10-18)21-12-8-7-11-19(21)20-15-23(3)14-13-22(20)24/h4-12,17H,13-16H2,1-3H3/q+1	C22H27N2+	319.463	2	0	3.24	4	3	1	-1.704	4.70238000000001	3.66	5.521	49.2644	101.843	2.6941	322.698824527802
Cond-005577	NPD5634	NPD5634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4362442306	COc1c(OC)cc(CC/N=C/2\CCCc3ccccc3N2)cc1	InChI=1S/C20H24N2O2/c1-23-18-11-10-15(14-19(18)24-2)12-13-21-20-9-5-7-16-6-3-4-8-17(16)22-20/h3-4,6,8,10-11,14H,5,7,9,12-13H2,1-2H3,(H,21,22)	C20H24N2O2	324.417	4	1	42.85	3	5	0	-0.728	4.59098	3.22	4.493	44.6336	99.6127	2.6168	316.725538027591
Cond-005578	NPD5635	NPD5635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.93223725	COc1c(OC)cc(CC/N=C/2\CCc3c(N2)cccc3)cc1	InChI=1S/C19H22N2O2/c1-22-17-9-7-14(13-18(17)23-2)11-12-20-19-10-8-15-5-3-4-6-16(15)21-19/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,21)	C19H22N2O2	310.39	4	1	42.85	3	5	0	-0.44	4.20088	3.11	4.135	41.722	94.9957000000001	2.4759	299.429553401724
Cond-005579	NPD5636	NPD5636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1055822177	CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(C)co1	InChI=1S/C16H17NO4/c1-5-20-16(19)13-9(3)17(4)14-10(13)6-11(18)15-12(14)8(2)7-21-15/h6-7,18H,5H2,1-4H3	C16H17NO4	287.31	5	1	64.6	3	3	0	0.8442	3.66172	2.67	1.744	40.2952	84.34	2.1138	245.861751417878
Cond-005580	NPD5637	NPD5637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.476497738	O=N1=Cc2c(N(c3ccccc3)C(=O)C1)c1c([nH]2)cccc1	InChI=1S/C17H13N3O2/c21-16-11-19(22)10-15-17(13-8-4-5-9-14(13)18-15)20(16)12-6-2-1-3-7-12/h1-10,18H,11H2	C17H13N3O2	291.304	5	1	62.17	4	1	0	-1.818	3.31867	2.78	2.976	22.0995	92.561	2.0993	247.304968255756
Cond-005581	NPD5638	NPD5638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6072470091	CC(=O)c1cc2c([nH]c3c2CCC/C/3=N\CCO)cc1	InChI=1S/C16H18N2O2/c1-10(20)11-5-6-14-13(9-11)12-3-2-4-15(16(12)18-14)17-7-8-19/h5-6,9,18-19H,2-4,7-8H2,1H3/b17-15+	C16H18N2O2	270.326	4	2	65.45	3	3	0	-1.632	2.37988	2.78	1.155	44.8019	84.2258	2.0962	250.178058224923
Cond-005582	NPD564	NPD564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.142815717	Cc1c(Cc2ccccc2)c(=O)oc2cc(OC/C=C/c3ccccc3)ccc12	InChI=1S/C26H22O3/c1-19-23-15-14-22(28-16-8-13-20-9-4-2-5-10-20)18-25(23)29-26(27)24(19)17-21-11-6-3-7-12-21/h2-15,18H,16-17H2,1H3/b13-8+	C26H22O3	382.451	3	0	35.53	4	6	1	1.409	6.08326	3.99	9.972	40.9231	118.968	2.9977	370.859399862219
Cond-005583	NPD5640	NPD5640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.253714207	CO[C@]12ONC(C1N1CC[C@H]2CC1)c1ccccc1O	InChI=1S/C15H20N2O3/c1-19-15-10-6-8-17(9-7-10)14(15)13(16-20-15)11-4-2-3-5-12(11)18/h2-5,10,13-14,16,18H,6-9H2,1H3/t13?,14?,15-/m1/s1	C15H20N2O3	276.331	5	2	53.96	2	2	0	-2.0131	1.4892	2.56	1.94	44.8443	74.8007	2.0344	248.125217701217
Cond-005584	NPD5641	NPD5641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3074697467	O[C@]12ONC(C1N1CC[C@H]2CC1)c1ccccn1	InChI=1S/C13H17N3O2/c17-13-9-4-7-16(8-5-9)12(13)11(15-18-13)10-3-1-2-6-14-10/h1-3,6,9,11-12,15,17H,4-5,7-8H2/t11?,12?,13-/m1/s1	C13H17N3O2	247.293	5	2	57.62	2	1	0	-1.9613	0.1469	2.34	1.591	37.5285	65.8115	1.7937	215.739781957089
Cond-005585	NPD5642	NPD5642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4315598521	CC(C)Cc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1	InChI=1S/C23H31NO/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(25)24-22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,24,25)	C23H31NO	337.498	2	1	29.1	2	8	1	1.4482	6.65978000000001	3.77	9.644	54.8404	110.4987	2.9896	361.182963697263
Cond-005586	NPD5643	NPD5643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1388091575	COc1c(OC)cc(CCNC(=N)C(C)c2ccc(cc2)C(C)C)cc1	InChI=1S/C22H30N2O2/c1-15(2)18-7-9-19(10-8-18)16(3)22(23)24-13-12-17-6-11-20(25-4)21(14-17)26-5/h6-11,14-16H,12-13H2,1-5H3,(H2,23,24)	C22H30N2O2	354.486	4	2	54.34	2	9	1	0.5547	4.73769000000001	3.44	6.976	56.1161	109.4114	3.0072	363.673965980125
Cond-005587	NPD5644	NPD5644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2134606994	CCC(C(=N)NCCc1cc(OC)c(OC)cc1)c1ccccc1	InChI=1S/C20H26N2O2/c1-4-17(16-8-6-5-7-9-16)20(21)22-13-12-15-10-11-18(23-2)19(14-15)24-3/h5-11,14,17H,4,12-13H2,1-3H3,(H2,21,22)	C20H26N2O2	326.433	4	2	54.34	2	9	1	-0.694399999999999	4.00439	3.22	6.145	44.9261	99.9394000000001	2.7254	329.081996728391
Cond-005588	NPD5645	NPD5645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.872442536	OC1=C(CC(=O)c2ccccc2)C(=O)c2c(cccc2)C1=O	InChI=1S/C18H12O4/c19-15(11-6-2-1-3-7-11)10-14-16(20)12-8-4-5-9-13(12)17(21)18(14)22/h1-9,22H,10H2	C18H12O4	292.285	4	1	71.44	3	3	0	-1.0475	3.04528	3	4.701	31.2912	82.8988000000001	2.1238	269.811125658245
Cond-005589	NPD5646	NPD5646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.336012308	CN(C)/C=C\1/CCc2c([nH]c3c2cccc3)C1=O	InChI=1S/C15H16N2O/c1-17(2)9-10-7-8-12-11-5-3-4-6-13(11)16-14(12)15(10)18/h3-6,9,16H,7-8H2,1-2H3/b10-9-	C15H16N2O	240.3	3	1	36.1	3	1	0	-0.590400000000001	2.56017	2.78	3.184	41.0084	76.945	1.8966	224.091846898495
Cond-005590	NPD5647	NPD5647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.7052745184	CN(C)/C=C\1/CCc2c([nH]c3c2cc(C)cc3)C1=O	InChI=1S/C16H18N2O/c1-10-4-7-14-13(8-10)12-6-5-11(9-18(2)3)16(19)15(12)17-14/h4,7-9,17H,5-6H2,1-3H3/b11-9-	C16H18N2O	254.327	3	1	36.1	3	1	0	0.0515999999999998	2.58819	2.89	3.507	46.5105	80.585	2.0375	241.387831524362
Cond-005591	NPD5648	NPD5648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4120186457	NC(=O)C1CCCc2c1[nH]c1c2cccc1	InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)	C13H14N2O	214.263	3	3	58.88	3	1	0	-1.1699	2.23028	2.56	2.399	26.5919	67.8884	1.6578	192.136336347561
Cond-005592	NPD5649	NPD5649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	65.0393809272	Nc1ncnc2ncc3c4c([nH]c3c12)cccc4	InChI=1S/C13H9N5/c14-12-10-11-8(5-15-13(10)17-6-16-12)7-3-1-2-4-9(7)18-11/h1-6,18H,(H2,14,15,16,17)	C13H9N5	235.244	5	3	80.48	4	0	0	-1.1703	2.56998	2.34	1.531	7.5221	73.6224	1.6609	174.270555468301
Cond-005593	NPD565	NPD565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9301903477	COCCOC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)[C@@]21C(=O)Nc1c2cccc1)C	InChI=1S/C21H24N2O7/c1-11(2)29-19(25)15-12(3)30-17(22)16(18(24)28-10-9-27-4)21(15)13-7-5-6-8-14(13)23-20(21)26/h5-8,11H,9-10,22H2,1-4H3,(H,23,26)/t21-/m0/s1	C21H24N2O7	416.424	9	3	126.18	3	8	0	-1.5208	2.17856	2.78	2.777	81.7201	108.7571	3.0082	386.236197455463
Cond-005594	NPD5650	NPD5650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9930193575	CN(C)/C=N/c1ncnc2ncc3c4c([nH]c3c12)cccc4	InChI=1S/C16H14N6/c1-22(2)9-20-16-13-14-11(7-17-15(13)18-8-19-16)10-5-3-4-6-12(10)21-14/h3-9,21H,1-2H3/b20-9+	C16H14N6	290.323	6	1	70.06	4	2	0	-0.7613	3.10687	2.56	2.45	24.7444	91.864	2.1404	234.518810853267
Cond-005595	NPD5652	NPD5652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	54.2561252842	Cc1c2n(C[C@H]3CO[C@@]2(O3)c2ccc(C)cc2)c2ccc(C)cc12	InChI=1S/C21H21NO2/c1-13-4-7-16(8-5-13)21-20-15(3)18-10-14(2)6-9-19(18)22(20)11-17(24-21)12-23-21/h4-10,17H,11-12H2,1-3H3/t17-,21+/m0/s1	C21H21NO2	319.397	3	0	23.39	5	1	1	1.6238	3.18685	3.44	5.834	37.7654	90.235	2.4407	287.411845043691
Cond-005596	NPD5653	NPD5653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0262462973	COc1cc2c(cc1OC)c1nncn1C(C)(C)C2	InChI=1S/C14H17N3O2/c1-14(2)7-9-5-11(18-3)12(19-4)6-10(9)13-16-15-8-17(13)14/h5-6,8H,7H2,1-4H3	C14H17N3O2	259.304	5	0	49.17	3	2	0	0.824899999999999	2.70709	2.45	2.339	36.0522	73.513	1.9572	229.219307882156
Cond-005597	NPD5654	NPD5654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9551080392	COc1c(OC)cc2c(CC(C)(C)N=C2CN2C(=O)c3c(cccc3)C2=O)c1	InChI=1S/C22H22N2O4/c1-22(2)11-13-9-18(27-3)19(28-4)10-16(13)17(23-22)12-24-20(25)14-7-5-6-8-15(14)21(24)26/h5-10H,11-12H2,1-4H3	C22H22N2O4	378.421	6	0	68.2	4	4	0	-0.254000000000002	3.09219	3.22	3.127	56.7023	108.6965	2.8214	351.268584578046
Cond-005598	NPD5655	NPD5655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8896415532	CC1(C)Cc2ccccc2c2nc(O)nc(=O)n12	InChI=1S/C13H13N3O2/c1-13(2)7-8-5-3-4-6-9(8)10-14-11(17)15-12(18)16(10)13/h3-6H,7H2,1-2H3,(H,15,17,18)	C13H13N3O2	243.261	5	1	65.26	3	0	0	-0.0220000000000007	1.51087	2.34	2.599	40.2413	72.5448	1.7733	220.186864555489
Cond-005599	NPD5656	NPD5656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2375025833	CCOP(=O)(CCCCC[C@@H](N)C(=O)O)OCC	InChI=1S/C11H24NO5P/c1-3-16-18(15,17-4-2)9-7-5-6-8-10(12)11(13)14/h10H,3-9,12H2,1-2H3,(H,13,14)/t10-/m1/s1	C11H24NO5P	281.286	6	3	108.66	0	11	1	-2.5566	1.89699	1.9	-1.458	58.7399	66.7542	2.2134	270.950978003506
Cond-005600	NPD5657	NPD5657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3225102758	NC(CCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O	InChI=1S/C18H22NO3P/c19-17(18(20)21)13-7-8-14-23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14,19H2,(H,20,21)	C18H22NO3P	331.346	4	3	90.2	2	8	0	-2.951	2.45498	2.89	2.416	34.9371	93.5937000000001	2.6071	312.110747377051
Cond-005601	NPD5658	NPD5658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.6030678087	OC12CCCCC1CC1(CC/C(=C\c3ccc(F)cc3)/C1=O)C(O2)c1ccc(F)cc1	InChI=1S/C26H26F2O3/c27-21-8-4-17(5-9-21)15-19-12-14-25(23(19)29)16-20-3-1-2-13-26(20,30)31-24(25)18-6-10-22(28)11-7-18/h4-11,15,20,24,30H,1-3,12-14,16H2/b19-15+	C26H26F2O3	424.48	3	1	46.53	5	2	1	-0.515300000000004	5.44798000000001	3.77	6.06	59.167	114.2048	3.0965	392.083893665232
Cond-005602	NPD5659	NPD5659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3702266413	O=C1/C(=C/c2ccccc2)/CCC21CC1=C(OC2c2ccccc2)C(CCC1)C1=CCCCC1	InChI=1S/C32H34O2/c33-30-26(21-23-11-4-1-5-12-23)19-20-32(30)22-27-17-10-18-28(24-13-6-2-7-14-24)29(27)34-31(32)25-15-8-3-9-16-25/h1,3-5,8-9,11-13,15-16,21,28,31H,2,6-7,10,14,17-20,22H2/b26-21+	C32H34O2	450.611	2	0	26.3	6	3	1	-0.149600000000003	7.69796000000001	4.76	9.53900000000001	84.8806	137.759	3.6532	457.305080916859
Cond-005603	NPD566	NPD566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.504950495	COc1cc(C(=O)C2OC2c2cc3c(o2)cccc3)c(OCc2ccccc2)cc1	InChI=1S/C25H20O5/c1-27-18-11-12-21(28-15-16-7-3-2-4-8-16)19(14-18)23(26)25-24(30-25)22-13-17-9-5-6-10-20(17)29-22/h2-14,24-25H,15H2,1H3	C25H20O5	400.423	5	0	61.2	5	7	1	-0.9738	4.55708	3.66	6.24	28.952	115.577	2.90860000000001	350.523868637474
Cond-005604	NPD5660	NPD5660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1456520242	C(C1CCCc2c1oc1c2CCCC1)C1CCCc2c1oc1c2CCCC1	InChI=1S/C25H32O2/c1-3-13-22-18(9-1)20-11-5-7-16(24(20)26-22)15-17-8-6-12-21-19-10-2-4-14-23(19)27-25(17)21/h16-17H,1-15H2	C25H32O2	364.52	2	0	26.28	6	2	1	-1.314	6.41248000000001	3.99	6.716	68.4476	111.001	2.9249	352.051940740591
Cond-005605	NPD5661	NPD5661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.691083607	COc1ccc(cc1)C1=CC(C2CCCCC32Nc2c(cccc2)N13)c1ccccc1	InChI=1S/C28H28N2O/c1-31-22-16-14-21(15-17-22)27-19-23(20-9-3-2-4-10-20)24-11-7-8-18-28(24)29-25-12-5-6-13-26(25)30(27)28/h2-6,9-10,12-17,19,23-24,29H,7-8,11,18H2,1H3	C28H28N2O	408.535	3	1	24.5	6	3	1	-1.4634	7.57027000000001	4.21	9.802	45.2298	128.6287	3.2305	390.424436129164
Cond-005606	NPD5662	NPD5662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.2436795334	O=C1C=CC2=N[C@]34CCCCC3C(C=C(N4C2=C1)c1ccccc1)c1ccccc1	InChI=1S/C27H24N2O/c30-21-14-15-24-26(17-21)29-25(20-11-5-2-6-12-20)18-22(19-9-3-1-4-10-19)23-13-7-8-16-27(23,29)28-24/h1-6,9-12,14-15,17-18,22-23H,7-8,13,16H2/t22?,23?,27-/m0/s1	C27H24N2O	392.492	3	0	32.67	6	2	1	-1.1919	5.39436000000001	4.1	8.795	66.3027	121.436	3.0466	381.391992802497
Cond-005607	NPD5664	NPD5664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6635284392	OC1=C(O)C(=O)c2c(c(O)c(Cl)c(Cl)c2O)C1=O	InChI=1S/C10H4Cl2O6/c11-3-4(12)6(14)2-1(5(3)13)7(15)9(17)10(18)8(2)16/h13-14,17-18H	C10H4Cl2O6	291.041	6	4	115.06	2	0	0	-0.618	2.00578	1.68	0.929	40.582	63.4877	1.6394	213.2481310973
Cond-005608	NPD5665	NPD5665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.7385014581	Cc1c(O)c2c(c(O)c1)C(=O)C(=C(Cl)C2=O)Cl	InChI=1S/C11H6Cl2O4/c1-3-2-4(14)5-6(9(3)15)11(17)8(13)7(12)10(5)16/h2,14-15H,1H3	C11H6Cl2O4	273.069	4	2	74.6	2	0	0	0.399	2.5139	2.01	0.878	41.0743	66.2413	1.6629	212.963662322045
Cond-005609	NPD5666	NPD5666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1663643252	Cc1cc(=O)oc2c1ccc(c2)/N=C/c1cccnc1	InChI=1S/C16H12N2O2/c1-11-7-16(19)20-15-8-13(4-5-14(11)15)18-10-12-3-2-6-17-9-12/h2-10H,1H3/b18-10+	C16H12N2O2	264.279	4	0	51.55	3	2	0	0.6822	3.60416	2.78	3.521	28.3682	82.276	1.9672	242.268682122523
Cond-005610	NPD5667	NPD5667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7012560564	Cc1cc2c(o1)c1c(CC[C@]2(C)c2ccccc2)oc2c1cc(C)cc2	InChI=1S/C24H22O2/c1-15-9-10-20-18(13-15)22-21(26-20)11-12-24(3,17-7-5-4-6-8-17)19-14-16(2)25-23(19)22/h4-10,13-14H,11-12H2,1-3H3/t24-/m1/s1	C24H22O2	342.43	2	0	26.28	5	1	1	1.3635	5.66892000000001	3.88	8.685	31.9126	106.69	2.6776	312.130121311524
Cond-005611	NPD5668	NPD5668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9574502285	COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)cccc1	InChI=1S/C24H22O3/c1-15-14-19-23(26-15)22-18-6-4-5-7-20(18)27-21(22)12-13-24(19,2)16-8-10-17(25-3)11-9-16/h4-11,14H,12-13H2,1-3H3/t24-/m1/s1	C24H22O3	358.43	3	0	35.51	5	2	1	0.6697	5.64950000000001	3.77	6.863	33.7263	109.602	2.7363	320.920348012085
Cond-005612	NPD5669	NPD5669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0745137661	COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)ccc(C)c1	InChI=1S/C25H24O3/c1-15-5-10-21-19(13-15)23-22(28-21)11-12-25(3,20-14-16(2)27-24(20)23)17-6-8-18(26-4)9-7-17/h5-10,13-14H,11-12H2,1-4H3/t25-/m1/s1	C25H24O3	372.456	3	0	35.51	5	2	1	1.3117	5.67752000000001	3.88	7.186	39.2284	113.242	2.8772	338.216332637952
Cond-005613	NPD567	NPD567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.8278790287	CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CCC(=O)O)O1)CNC(=O)C	InChI=1S/C33H49NO6/c1-19(18-34-21(3)35)6-9-27-20(2)31-28(40-27)17-26-24-8-7-22-16-23(39-30(38)11-10-29(36)37)12-14-32(22,4)25(24)13-15-33(26,31)5/h7,19,23-26,28,31H,6,8-18H2,1-5H3,(H,34,35)(H,36,37)/t19?,23?,24?,25?,26?,28?,31?,32-,33-/m0/s1	C33H49NO6	555.745	7	2	101.93	5	11	2	0.766300000000003	6.26337000000001	4.32	5.372	150.3184	154.6835	4.4523	568.097484757935
Cond-005614	NPD5670	NPD5670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8300305403	COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)ccc(Cl)c1	InChI=1S/C24H21ClO3/c1-14-12-19-23(27-14)22-18-13-16(25)6-9-20(18)28-21(22)10-11-24(19,2)15-4-7-17(26-3)8-5-15/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1	C24H21ClO3	392.875	3	0	35.51	5	2	1	1.414	6.3029	3.66	6.748	39.3419	114.612	2.8587	336.131415782519
Cond-005615	NPD5671	NPD5671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.8507428414	COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)c(Br)cc(Br)c1	InChI=1S/C24H20Br2O3/c1-13-10-18-23(28-13)21-17-11-15(25)12-19(26)22(17)29-20(21)8-9-24(18,2)14-4-6-16(27-3)7-5-14/h4-7,10-12H,8-9H2,1-3H3/t24-/m1/s1	C24H20Br2O3	516.222	3	0	35.51	5	2	1	2.4473	7.1745	3.55	7.52	50.9245	125.002	3.0863	359.487585967219
Cond-005616	NPD5672	NPD5672	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0584858435	COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)ccc(C)c1	InChI=1S/C25H24O3/c1-15-9-10-20-17(13-15)23-22(28-20)11-12-25(3,19-14-16(2)27-24(19)23)18-7-5-6-8-21(18)26-4/h5-10,13-14H,11-12H2,1-4H3/t25-/m1/s1	C25H24O3	372.456	3	0	35.51	5	2	1	1.3117	5.67752000000001	3.88	7.186	39.2284	113.242	2.8772	338.216332637952
Cond-005617	NPD5673	NPD5673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0664998048	COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(C)o3)c1c(o2)ccc(Cl)c1	InChI=1S/C24H21ClO3/c1-14-12-18-23(27-14)22-16-13-15(25)8-9-19(16)28-21(22)10-11-24(18,2)17-6-4-5-7-20(17)26-3/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1	C24H21ClO3	392.875	3	0	35.51	5	2	1	1.414	6.3029	3.66	6.748	39.3419	114.612	2.8587	336.131415782519
Cond-005618	NPD5674	NPD5674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.063170222	OC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1coc2c(cc(F)cc2)c1=O	InChI=1S/C21H15FN2O4/c22-10-5-6-17-13(7-10)20(25)14(9-28-17)19-18-12(8-16(24-19)21(26)27)11-3-1-2-4-15(11)23-18/h1-7,9,16,19,23-24H,8H2,(H,26,27)	C21H15FN2O4	378.353	6	3	91.42	5	2	0	-1.4127	3.34926	3	3.272	41.5832	104.474	2.5466	314.147241400886
Cond-005619	NPD5676	NPD5676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.0480148798	COc1c(O)cc2CCN([C@@H](C)c2c1)C(=O)c1c(C)oc(C)c1	InChI=1S/C18H21NO4/c1-10-7-15(12(3)23-10)18(21)19-6-5-13-8-16(20)17(22-4)9-14(13)11(19)2/h7-9,11,20H,5-6H2,1-4H3/t11-/m0/s1	C18H21NO4	315.364	5	1	62.91	3	3	0	-0.153899999999999	2.47214	2.89	2.346	48.8666	88.7408	2.3956	291.353720669612
Cond-005620	NPD5677	NPD5677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.5687845875	CC1C=C(C)C2[C@@H](C)[C@@]1(COC(=O)Nc1ccccc1)COC2c1ccco1	InChI=1S/C23H27NO4/c1-15-12-16(2)23(14-28-22(25)24-18-8-5-4-6-9-18)13-27-21(20(15)17(23)3)19-10-7-11-26-19/h4-12,16-17,20-21H,13-14H2,1-3H3,(H,24,25)/t16?,17-,20?,21?,23-/m1/s1	C23H27NO4	381.465	5	1	60.7	4	6	1	0.3575	5.19827000000001	3.44	5.366	62.7179	111.2997	2.9485	362.840726397347
Cond-005621	NPD5678	NPD5678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.939883809	CC1CC2(C)Oc3c(cccc3)C3OCC1(COC(=O)Nc1ccccc1)[C@@H](C)C23	InChI=1S/C25H29NO4/c1-16-13-24(3)21-17(2)25(16,15-29-23(27)26-18-9-5-4-6-10-18)14-28-22(21)19-11-7-8-12-20(19)30-24/h4-12,16-17,21-22H,13-15H2,1-3H3,(H,26,27)	C25H29NO4	407.502	5	1	56.79	5	5	1	-0.6115	5.84868000000001	3.66	6.663	60.2481	119.0947	3.12170000000001	385.07623694828
Cond-005622	NPD5679	NPD5679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7872511424	Cc1ccc(o1)/C=C/C(=O)/C=C/c1ccc(C)o1	InChI=1S/C15H14O3/c1-11-3-7-14(17-11)9-5-13(16)6-10-15-8-4-12(2)18-15/h3-10H,1-2H3/b9-5+,10-6+	C15H14O3	242.27	3	0	43.35	2	4	0	1.0292	3.05441	2.78	3.792	40.5362	73.748	1.88	229.398779883284
Cond-005623	NPD568	NPD568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.228005756	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC/C/4=N\NC(=O)N)C3CC=C2C1	InChI=1S/C22H33N3O3/c1-13(26)28-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(24-25-20(23)27)22(17,3)11-9-18(16)21/h4,15-18H,5-12H2,1-3H3,(H3,23,25,27)/b24-19+/t15?,16?,17?,18?,21-,22-/m0/s1	C22H33N3O3	387.516	6	3	93.78	4	4	0	0.0845999999999973	3.32707	3.22	3.456	102.778	110.8101	3.0775	388.457411589653
Cond-005624	NPD5680	NPD5680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	50.5545477508	Oc1cc2c(cc1)cc(C(=O)NCc1ccccc1)c(=N)o2	InChI=1S/C17H14N2O3/c18-16-14(8-12-6-7-13(20)9-15(12)22-16)17(21)19-10-11-4-2-1-3-5-11/h1-9,18,20H,10H2,(H,19,21)	C17H14N2O3	294.305	5	3	82.41	3	4	0	-0.7442	2.17335	2.78	4.169	31.3656	84.1522000000001	2.1668	268.354893448951
Cond-005625	NPD5681	NPD5681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8552435188	Cc1c(CC(=O)OC(=O)Cc2c(C)oc3c2C(=O)CC(C)(C)C3)c2c(CC(C)(C)CC2=O)o1	InChI=1S/C26H30O7/c1-13-15(23-17(27)9-25(3,4)11-19(23)31-13)7-21(29)33-22(30)8-16-14(2)32-20-12-26(5,6)10-18(28)24(16)20/h7-12H2,1-6H3	C26H30O7	454.512	7	0	103.79	4	6	0	2.4386	4.17991	3.55	4.391	91.5838	123.637	3.4045	427.466141467664
Cond-005626	NPD5682	NPD5682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.304140164	Nc1nc2c(CCCC2)c2c1C(=O)NC2=O	InChI=1S/C11H11N3O2/c12-9-8-7(10(15)14-11(8)16)5-3-1-2-4-6(5)13-9/h1-4H2,(H2,12,13)(H,14,15,16)	C11H11N3O2	217.224	5	3	85.08	3	0	0	-1.7662	0.79978	2.12	0.28	31.7455	61.1506	1.5345	188.231354004556
Cond-005627	NPD5683	NPD5683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9666352844	CN(C)/N=N/c1nc2c(n1CC(O)CO)c(=O)n(C)c(=O)n2C	InChI=1S/C12H19N7O4/c1-16(2)15-14-11-13-9-8(19(11)5-7(21)6-20)10(22)18(4)12(23)17(9)3/h7,20-21H,5-6H2,1-4H3/b15-14+	C12H19N7O4	325.324	11	2	126.86	2	5	1	-1.3671	0.21717	1.57	-2.371	65.7346	84.5186	2.3006	279.451291565012
Cond-005628	NPD5684	NPD5684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7737491102	C/C(=N\N)/[C@@]1(O)CCC2C3CCC4=C/C(=N/N)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C21H34N4O/c1-13(24-22)21(26)11-8-18-16-5-4-14-12-15(25-23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,26H,4-11,22-23H2,1-3H3/b24-13+,25-15+/t16?,17?,18?,19-,20-,21-/m0/s1	C21H34N4O	358.521	5	5	96.99	4	1	0	-0.557900000000005	3.25579	3.22	2.83	106.2362	105.3016	2.962	367.21419247163
Cond-005629	NPD5685	NPD5685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.360490482	C[C@]12CCC3C(CCc4c3ccc(O)c4)C1CC/C/2=N\O	InChI=1S/C18H23NO2/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(18)19-21/h3,5,10,14-16,20-21H,2,4,6-9H2,1H3/b19-17+/t14?,15?,16?,18-/m0/s1	C18H23NO2	285.381	3	2	52.82	4	0	0	0.141700000000002	4.44909000000001	3.11	4.282	57.1521	84.3645	2.2556	277.58972596929
Cond-005630	NPD5686	NPD5686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4546143425	COc1ccc(cc1)C(=O)C1C(C)(CC(=CC1(O)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1	InChI=1S/C36H36O6/c1-35(27-10-18-31(41-4)19-11-27)22-26(24-6-14-29(39-2)15-7-24)23-36(38,28-12-20-32(42-5)21-13-28)34(35)33(37)25-8-16-30(40-3)17-9-25/h6-21,23,34,38H,22H2,1-5H3	C36H36O6	564.667	6	1	74.22	5	9	1	-0.360300000000002	6.29748	4.76	8.265	64.9205	164.8208	4.38820000000001	541.660550120169
Cond-005631	NPD5688	NPD5688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0768559554	[C@H]1(CCCN1/N=N/c1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(=O)O	InChI=1S/C12H15N7O4/c1-17-8-7(9(20)18(2)12(17)23)13-11(14-8)15-16-19-5-3-4-6(19)10(21)22/h6H,3-5H2,1-2H3,(H,13,14)(H,21,22)/b16-15+/t6-/m0/s1	C12H15N7O4	321.292	11	2	134.56	3	3	1	-2.0188	1.15637	1.57	-0.58	57.8692	82.4803	2.149	264.458374163412
Cond-005632	NPD5689	NPD5689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7977909941	Cn1c(=O)n(C)c2c(nnc(n2)N2CCOCC2)c1=O	InChI=1S/C11H14N6O3/c1-15-8-7(9(18)16(2)11(15)19)13-14-10(12-8)17-3-5-20-6-4-17/h3-6H2,1-2H3	C11H14N6O3	278.267	9	0	91.76	3	1	0	-0.641099999999997	-0.27642	1.68	-1.058	49.6434	72.814	1.8926	230.011861329617
Cond-005633	NPD569	NPD569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2368596776	Nc1nc2c(nc(n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)N2CCCCC2)c(=O)[nH]1	InChI=1S/C15H22N6O5/c16-14-18-11-8(12(25)19-14)17-15(20-4-2-1-3-5-20)21(11)13-10(24)9(23)7(6-22)26-13/h7,9-10,13,22-24H,1-6H2,(H3,16,18,19,25)/t7-,9-,10-,13-/m1/s1	C15H22N6O5	366.372	11	6	158.46	4	3	1	-2.9498	-1.43543	1.9	-1.482	67.4927	95.4555	2.508	307.056253234207
Cond-005634	NPD5690	NPD5690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2283175274	N#N=Nc1nc2c(nn1)c(=O)[nH]c(=O)[nH]2	InChI=1S/C5H2N8O2/c6-13-12-4-7-2-1(10-11-4)3(14)9-5(15)8-2/h(H2,7,8,9,11,14,15)	C5H2N8O2	206.122	10	2	109.23	2	1	0	-3.2177	0.28648	0.91	-0.501	19.8841	46.0429	1.2107	146.522788589389
Cond-005635	NPD5691	NPD5691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5589795403	Cn1c(=O)n(C)c2c(nnc(NN)n2)c1=O	InChI=1S/C7H9N7O2/c1-13-4-3(5(15)14(2)7(13)16)11-12-6(9-4)10-8/h8H2,1-2H3,(H,9,10,12)	C7H9N7O2	223.192	9	3	117.34	2	1	0	-1.5625	-0.82742	1.24	-1.511	34.8616	57.5921	1.4787	175.390915034556
Cond-005636	NPD5692	NPD5692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.5698408689	COc1cc(C(=O)CC(=O)c2ccccc2)c(O)cc1	InChI=1S/C16H14O4/c1-20-12-7-8-14(17)13(9-12)16(19)10-15(18)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3	C16H14O4	270.28	4	1	63.6	2	5	0	-1.0049	2.82489	2.78	4.112	25.1216	77.4003	2.0366	252.848532508912
Cond-005637	NPD5693	NPD5693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.6583618453	CC(C)CNC(=O)c1ccc2c3c(onc13)c1c(cccc1)C2=O	InChI=1S/C19H16N2O3/c1-10(2)9-20-19(23)14-8-7-13-15-16(14)21-24-18(15)12-6-4-3-5-11(12)17(13)22/h3-8,10H,9H2,1-2H3,(H,20,23)	C19H16N2O3	320.342	5	1	72.2	4	4	0	-0.4682	3.38708	3	3.685	33.3866	93.6882	2.34	279.690403999885
Cond-005638	NPD5694	NPD5694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.7538405015	COc1cccc(c1)/N=C/1\C=Cc2noc3c2c1c(O)c1c3cccc1	InChI=1S/C21H14N2O3/c1-25-13-6-4-5-12(11-13)22-16-9-10-17-19-18(16)20(24)14-7-2-3-8-15(14)21(19)26-23-17/h2-11,24H,1H3/b22-16+	C21H14N2O3	342.347	5	1	67.85	5	2	0	-0.4107	5.33356	3.22	4.555	28.3461	104.618	2.4272	285.752997149218
Cond-005639	NPD5695	NPD5695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0205745252	CC1(C)[C@@H]2C[C@@H](Sc3ccccc3)[C@](C)(S)C[C@H]12	InChI=1S/C16H22S2/c1-15(2)12-9-14(16(3,17)10-13(12)15)18-11-7-5-4-6-8-11/h4-8,12-14,17H,9-10H2,1-3H3/t12-,13+,14-,16-/m1/s1	C16H22S2	278.476	0	0	64.1	3	2	1	2.3694	4.9018	3	6.567	58.0062	83.473	2.2352	266.431508625067
Cond-005640	NPD5696	NPD5696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2087763209	CS[C@@]1(C)C[C@H]2[C@@H](C[C@@H]1N1CCOCC1)C2(C)C	InChI=1S/C15H27NOS/c1-14(2)11-9-13(16-5-7-17-8-6-16)15(3,18-4)10-12(11)14/h11-13H,5-10H2,1-4H3/t11-,12+,13+,15+/m1/s1	C15H27NOS	269.446	2	0	37.77	3	2	0	1.8662	2.8749	2.78	3.448	78.3772	78.095	2.2183	269.222862952728
Cond-005641	NPD5697	NPD5697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.5815518152	CC1(CC1(Cl)Cl)C1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	InChI=1S/C12H16Cl4/c1-9-4-3-7(5-8(9)12(9,15)16)10(2)6-11(10,13)14/h7-8H,3-6H2,1-2H3/t7?,8-,9+,10?/m0/s1	C12H16Cl4	302.067	0	0	0	3	1	1	2.5498	5.1804	2.34	5.251	69.9088	70.536	1.9632	239.883169190533
Cond-005642	NPD5698	NPD5698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5533077683	CCc1cc2c(C)cc(Sc3ccc(C)cc3)c2c(C)cc1	InChI=1S/C21H22S/c1-5-17-9-8-15(3)21-19(13-17)16(4)12-20(21)22-18-10-6-14(2)7-11-18/h6-13H,5H2,1-4H3	C21H22S	306.464	0	0	25.3	3	3	1	2.8235	5.12526	3.66	8.963	34.6503	90.7290000000001	2.5612	299.420114192802
Cond-005643	NPD57	NPD57	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4619313345	OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1c(nc2c1nc[nH]c2=O)N1CCNCC1	InChI=1S/C14H20N6O5/c21-5-7-9(22)10(23)13(25-7)20-11-8(12(24)17-6-16-11)18-14(20)19-3-1-15-2-4-19/h6-7,9-10,13,15,21-23H,1-5H2,(H,16,17,24)/t7-,9-,10-,13-/m0/s1	C14H20N6O5	352.346	11	5	144.47	4	3	1	-2.559	-2.30253	1.79	-2.617	70.3336	91.3438	2.3671	289.76026860834
Cond-005644	NPD570	NPD570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2166772547	Fc1ccc(CCNC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C23H26FN3O3/c24-19-6-4-16(5-7-19)10-11-25-21(28)8-9-22(29)26-13-17-12-18(15-26)20-2-1-3-23(30)27(20)14-17/h1-7,17-18H,8-15H2,(H,25,28)/t17-,18+/m0/s1	C23H26FN3O3	411.469	6	1	69.72	4	8	0	-1.2208	2.11147	3.22	1.529	85.9568	112.1637	3.0641	390.375120262625
Cond-005645	NPD5700	NPD5700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4372316241	NC(=S)CCCc1c[nH]c2c1cccc2	InChI=1S/C12H14N2S/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,8,14H,3-4,7H2,(H2,13,15)	C12H14N2S	218.318	2	3	73.9	2	4	0	-0.346900000000001	2.69999	2.45	2.235	31.0586	69.4954	1.7303	196.915607779534
Cond-005646	NPD5701	NPD5701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2019334543	[Na+].[O-]S(=O)(=O)SCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C12H14N2O4S2.Na/c15-12(8-19-20(16,17)18)13-6-5-9-7-14-11-4-2-1-3-10(9)11;/h1-4,7,14H,5-6,8H2,(H,13,15)(H,16,17,18);/q;+1/p-1	C12H13N2NaO4S2	336.362	6	2	135.77	2	7	0	-1.6185	1.49098	1.9	0.612	40.9026	75.0236	2.1071	249.267309288978
Cond-005647	NPD5702	NPD5702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0090472801	O=C(OC1COC2C(COC12)OC(=O)c1ccco1)c1ccco1	InChI=1S/C16H14O8/c17-15(9-3-1-5-19-9)23-11-7-21-14-12(8-22-13(11)14)24-16(18)10-4-2-6-20-10/h1-6,11-14H,7-8H2	C16H14O8	334.278	8	0	97.34	4	6	0	-0.977	1.38959	2.34	1.066	42.0758	78.3245	2.1402	268.569439311156
Cond-005648	NPD5703	NPD5703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3270109532	Cn1c(=O)n(C)c2nc3c(nc2c1=O)c1c([nH]3)ccc(Br)c1	InChI=1S/C14H10BrN5O2/c1-19-12-10(13(21)20(2)14(19)22)17-9-7-5-6(15)3-4-8(7)16-11(9)18-12/h3-5H,1-2H3,(H,16,18)	C14H10BrN5O2	360.165	7	1	82.19	4	0	0	-0.0782000000000003	2.81227	2.12	1.428	38.1766	90.523	2.0942	239.330612472856
Cond-005649	NPD5704	NPD5704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1823922478	CC1(C)NC(=N(=O)C1(O)c1ccccc1)c1cccnc1	InChI=1S/C16H17N3O2/c1-15(2)16(20,13-8-4-3-5-9-13)19(21)14(18-15)12-7-6-10-17-11-12/h3-11,18,20H,1-2H3	C16H17N3O2	283.325	5	2	71.22	3	2	0	-0.8496	1.64539	2.67	4.209	26.5768	81.7315	2.153	258.53835973229
Cond-005650	NPD5705	NPD5705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	12.2987898689	COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3c(occ3)C=O)C(=C)CCC12	InChI=1S/C22H30O4/c1-15-6-9-19-21(2,11-5-12-22(19,3)20(24)25-4)17(15)8-7-16-10-13-26-18(16)14-23/h10,13-14,17,19H,1,5-9,11-12H2,2-4H3/t17-,19?,21+,22-/m0/s1	C22H30O4	358.471	4	0	56.51	3	6	1	0.932000000000003	4.87118000000001	3.44	5.699	83.9099	102.603	2.9024	363.077357665713
Cond-005651	NPD5706	NPD5706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	10.3882982388	CCOC(=O)CNCc1c(CC[C@H]2C(=C)CCC3[C@]2(C)CCC[C@]3(C)C(=O)OC)cco1	InChI=1S/C26H39NO5/c1-6-31-23(28)17-27-16-21-19(12-15-32-21)9-10-20-18(2)8-11-22-25(20,3)13-7-14-26(22,4)24(29)30-5/h12,15,20,22,27H,2,6-11,13-14,16-17H2,1,3-5H3/t20-,22?,25+,26-/m0/s1	C26H39NO5	445.592	6	1	77.77	3	11	2	0.775399999999999	4.61818000000001	3.66	5.474	106.4724	127.4497	3.6245	452.048283077909
Cond-005652	NPD5707	NPD5707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.113596179	O=C1c2c(n3CCCc3n2)C(=O)c2c1cccc2	InChI=1S/C14H10N2O2/c17-13-8-4-1-2-5-9(8)14(18)12-11(13)15-10-6-3-7-16(10)12/h1-2,4-5H,3,6-7H2	C14H10N2O2	238.241	4	0	51.96	4	0	0	-1.0788	2.38347	2.56	2.377	24.1254	68.9585	1.6628	200.593171571589
Cond-005653	NPD5708	NPD5708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4591150199	COc1cc2c(cc1OC)C1(C)CC(C)(C)N=C(S)N1CC2	InChI=1S/C17H24N2O2S/c1-16(2)10-17(3)12-9-14(21-5)13(20-4)8-11(12)6-7-19(17)15(22)18-16/h8-9H,6-7,10H2,1-5H3,(H,18,22)	C17H24N2O2S	320.45	4	0	72.86	3	2	0	1.5275	2.80179	2.78	3.477	67.8558	92.462	2.4866	302.15598430999
Cond-005654	NPD5709	NPD5709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9183678156	COc1cc2c(cc1OC)C1CC(C)NC(=S)N1CC2	InChI=1S/C15H20N2O2S/c1-9-6-12-11-8-14(19-3)13(18-2)7-10(11)4-5-17(12)15(20)16-9/h7-9,12H,4-6H2,1-3H3,(H,16,20)	C15H20N2O2S	292.396	4	1	65.82	3	2	0	0.0975000000000011	2.42939	2.56	2.677	57.3352	83.7927	2.2048	267.564015058256
Cond-005655	NPD571	NPD571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.8910891089	[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(NN1CCN(CC)C(=O)C1=O)c1ccccc1)C(=O)O	InChI=1S/C22H27N5O6S/c1-4-25-10-11-26(19(31)18(25)30)24-13(12-8-6-5-7-9-12)16(28)23-14-17(29)27-15(21(32)33)22(2,3)34-20(14)27/h5-9,13-15,20,24H,4,10-11H2,1-3H3,(H,23,28)(H,32,33)/t13?,14-,15+,20-/m1/s1	C22H27N5O6S	489.545	11	3	164.66	4	8	1	-1.9779	-0.55251	2.56	2.382	94.4076	124.4092	3.4447	433.884801362069
Cond-005656	NPD5710	NPD5710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.75852488	CC1(C)CC(C)(O)N(CCc2c[nH]c3ccccc23)C(=N1)S	InChI=1S/C17H23N3OS/c1-16(2)11-17(3,21)20(15(22)19-16)9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10,18,21H,8-9,11H2,1-3H3,(H,19,22)	C17H23N3OS	317.449	4	2	90.42	3	3	0	0.860299999999999	3.11229	2.78	3.968	58.839	95.9228	2.4847	290.826059116796
Cond-005657	NPD5712	NPD5712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1958109634	CC1(C)Cc2c(cccc2)C2CC(O)C(=O)N12	InChI=1S/C14H17NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-6,11-12,16H,7-8H2,1-2H3	C14H17NO2	231.29	3	1	40.54	3	0	0	-0.675300000000002	1.54839	2.67	3.154	38.161	66.9008	1.8006	220.762246166623
Cond-005658	NPD5713	NPD5713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6151063389	C1c2c(Oc3c1cccc3C1c3c(Oc4c1cccc4)cccc3)cccc2	InChI=1S/C26H18O2/c1-4-13-22-17(8-1)16-18-9-7-12-21(26(18)28-22)25-19-10-2-5-14-23(19)27-24-15-6-3-11-20(24)25/h1-15,25H,16H2	C26H18O2	362.42	2	0	18.46	6	1	1	0.214	7.1513	4.1	8.617	11.4867	111.102	2.7218	326.456255760057
Cond-005659	NPD5714	NPD5714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8638678311	COC(=O)c1ccc(NC(CC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2)cc1	InChI=1S/C26H25NO4/c1-30-24-16-9-19(10-17-24)8-15-23(28)18-25(20-6-4-3-5-7-20)27-22-13-11-21(12-14-22)26(29)31-2/h3-17,25,27H,18H2,1-2H3/b15-8+	C26H25NO4	415.481	5	1	64.63	3	10	1	-0.3793	4.75218000000001	3.77	7.375	46.1408	123.4207	3.26480000000001	403.002845471747
Cond-005660	NPD5715	NPD5715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.610613148	CC1(C)Cc2c(cccc2)C(=[NH+]1)NCC(=O)[O-]	InChI=1S/C13H16N2O2/c1-13(2)7-9-5-3-4-6-10(9)12(15-13)14-8-11(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)	C13H16N2O2	232.278	4	2	66.13	2	3	0	-2.2595	-1.57811	2.45	2.181	34.0247	65.5494	1.8251	224.183021748923
Cond-005661	NPD5716	NPD5716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2141063158	C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)C(=O)OC(C)C	InChI=1S/C17H21NO3/c1-11(2)21-16(20)15(19)9-14-13-8-6-5-7-12(13)10-17(3,4)18-14/h5-9,11,18H,10H2,1-4H3/b14-9-	C17H21NO3	287.354	4	1	55.4	2	4	0	0.106500000000001	2.52368	2.89	4.87	58.2268	83.7537	2.3046	288.523968043984
Cond-005662	NPD5717	NPD5717	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4906564667	C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O	InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1	C19H24O2	284.393	2	0	34.14	4	0	0	1.0951	3.94967	3.33	3.496	83.7881	84.3260000000001	2.2967	294.78895038699
Cond-005663	NPD5718	NPD5718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.0200004608	[C@@H]12CCC3C4CC=C(/C(=N/O)/C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21,26H,5-6,8-13H2,1-4H3/b24-14+/t16-,17?,18?,20?,21?,22-,23+/m0/s1	C23H35NO3	373.529	4	1	58.89	4	3	1	0.7138	5.50728000000001	3.55	6.552	102.8294	108.6155	3.0618	386.396334499986
Cond-005664	NPD5719	NPD5719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4210926519	CC(CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C)CNC(=O)C	InChI=1S/C31H47NO5/c1-18(17-32-20(3)33)7-10-27(35)19(2)29-28(36)16-26-24-9-8-22-15-23(37-21(4)34)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,29H,7,9-17H2,1-6H3,(H,32,33)/t18?,19?,23?,24?,25?,26?,29?,30-,31-/m0/s1	C31H47NO5	513.709	6	1	89.54	4	10	0	-0.00469999999999759	5.59378000000001	4.21	4.706	140.5626	145.3627	4.2204	537.071747506442
Cond-005665	NPD572	NPD572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6005326232	CC1(C)C(N2C(C(Br)(Br)C2=O)S1(=O)=O)C(=O)[O-]	InChI=1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/p-1	C8H8Br2NO5S-	390.026	6	0	102.96	2	1	0	0.101999999999999	0.28099	1.35	-0.338	61.4311	66.3	1.8179	227.644427277839
Cond-005666	NPD5720	NPD5720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.914767621	C[C@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)CO	InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1	C21H26O5	358.428	5	2	91.67	4	2	0	-0.7488	1.85207	3.22	0.608	96.3116	96.7516000000001	2.7116	353.115141039608
Cond-005667	NPD5721	NPD5721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.5215557962	[C@H]12CCC(=O)C=C1CCC1C3CC[C@@](OC(=O)C)(C#C)[C@@]3(C)CCC21	InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18?,19?,20?,21-,22-/m0/s1	C22H28O3	340.456	3	0	43.37	4	2	0	1.3295	4.30297	3.55	3.984	93.5657	97.751	2.7351	352.830672264352
Cond-005668	NPD5722	NPD5722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1218922095	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45O)C3CC=C2C1	InChI=1S/C21H30O4/c1-12(22)24-14-6-8-19(2)13(10-14)4-5-15-16(19)7-9-20(3)17(15)11-18-21(20,23)25-18/h4,14-18,23H,5-11H2,1-3H3/t14?,15?,16?,17?,18-,19+,20+,21-/m1/s1	C21H30O4	346.46	4	1	59.06	5	2	0	0.138299999999997	3.73828	3.33	3.792	91.5653	95.4358000000001	2.6733	339.877831740647
Cond-005669	NPD5724	NPD5724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9101361783	CCOC(=O)[C@]1(O[C@]21CCC1C3CCC4CC(CC[C@]4(C)C3CC[C@]21C)OC(=O)C)C(=O)N	InChI=1S/C26H39NO6/c1-5-31-22(30)26(21(27)29)25(33-26)13-10-20-18-7-6-16-14-17(32-15(2)28)8-11-23(16,3)19(18)9-12-24(20,25)4/h16-20H,5-14H2,1-4H3,(H2,27,29)/t16?,17?,18?,19?,20?,23-,24-,25+,26+/m0/s1	C26H39NO6	461.591	7	2	108.22	5	6	0	0.00530000000000552	3.75089000000001	3.55	4.686	113.4126	122.8984	3.552	452.29850977847
Cond-005670	NPD5725	NPD5725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7486808452	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]12OCOC21COCO2	InChI=1S/C23H30O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h9,16-17,19H,3-8,10-13H2,1-2H3/t16?,17?,19?,20-,21-,22+,23?/m0/s1	C23H30O6	402.481	6	0	71.06	6	0	0	-0.200300000000004	3.30108	3.33	1.313	102.4025	104.476	2.9209	377.057336991902
Cond-005671	NPD5726	NPD5726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.628032904	C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@]12CCC(=O)O1	InChI=1S/C24H34O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3,17-19H,4-15H2,1-2H3/t17?,18?,19?,21-,22-,23+/m0/s1	C24H34O4	386.524	4	0	44.76	6	0	0	0.819699999999996	4.92818000000001	3.66	4.604	103.5798	107.368	2.9874	379.409326917447
Cond-005672	NPD5727	NPD5727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.0426046683	CC(NC=O)c1ccc2n(C)c3c(cccc3)c2c1	InChI=1S/C16H16N2O/c1-11(17-10-19)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18(16)2/h3-11H,1-2H3,(H,17,19)	C16H16N2O	252.311	3	1	34.03	3	3	0	-0.5873	3.43648	2.89	3.519	26.6852	81.5457000000001	1.9945	227.851372823562
Cond-005673	NPD5728	NPD5728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.0985506578	Cn1c2c(cccc2)c2c1ccc(CC(=O)O)c2	InChI=1S/C15H13NO2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15(17)18)6-7-14(12)16/h2-8H,9H2,1H3,(H,17,18)	C15H13NO2	239.269	3	1	42.23	3	2	0	-0.0895	3.59768	2.78	3.335	20.3632	76.0488000000001	1.8125	208.348854690089
Cond-005674	NPD5729	NPD5729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.1250489643	CC(C)CCn1c2c(cccc2)c2c1ccc(CC(=O)O)c2	InChI=1S/C19H21NO2/c1-13(2)9-10-20-17-6-4-3-5-15(17)16-11-14(12-19(21)22)7-8-18(16)20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)	C19H21NO2	295.376	3	1	42.23	3	5	1	0.1047	5.10678	3.22	5.193	36.5581	94.5228000000001	2.3761	277.532793193557
Cond-005675	NPD573	NPD573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.5692279052	CC(C)C(O)(CC#CCN1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1	InChI=1S/C24H35NO/c1-19(2)24(26,20-11-7-6-8-12-20)13-9-10-14-25-18-23(5)16-21(25)15-22(3,4)17-23/h6-8,11-12,19,21,26H,13-18H2,1-5H3/t21-,23-,24?/m1/s1	C24H35NO	353.541	2	1	23.47	3	4	1	2.4927	4.56279000000001	3.88	6.647	84.2528	107.2468	3.1079	382.29540702393
Cond-005676	NPD5730	NPD5730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9879029471	Cn1c2c(cccc2)c2c1ccc(CC(=O)N)c2	InChI=1S/C15H14N2O/c1-17-13-5-3-2-4-11(13)12-8-10(9-15(16)18)6-7-14(12)17/h2-8H,9H2,1H3,(H2,16,18)	C15H14N2O	238.284	3	2	48.02	3	2	0	-0.4845	2.99838	2.78	2.607	20.5854	77.6074	1.8536	210.555388197695
Cond-005677	NPD5731	NPD5731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.3786723196	C/C=C(\C)/n1c2ccccc2c2ccccc12	InChI=1S/C16H15N/c1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11H,1-2H3/b12-3+	C16H15N	221.297	1	0	4.93	3	1	1	0.9132	4.49249	3.11	6.041	24.0093	74.003	1.836	208.064385914834
Cond-005678	NPD5732	NPD5732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3523583493	OCCC(O)n1c2c(cccc2)c2c1cccc2	InChI=1S/C15H15NO2/c17-10-9-15(18)16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,15,17-18H,9-10H2	C15H15NO2	241.285	3	2	45.39	3	3	0	-1.0516	2.7866	2.78	3.431	18.8285	72.9316	1.8555	210.985313390889
Cond-005679	NPD5733	NPD5733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.3701928616	CC1=C2C(CCS2(=O)=O)C2=C(C1)C(=O)c1c(cccc1)C2=O	InChI=1S/C17H14O4S/c1-9-8-13-14(12-6-7-22(20,21)17(9)12)16(19)11-5-3-2-4-10(11)15(13)18/h2-5,12H,6-8H2,1H3	C17H14O4S	314.356	4	0	76.66	4	0	0	-0.2633	3.37617	2.78	1.221	56.938	83.8655	2.1668	277.477082491579
Cond-005680	NPD5734	NPD5734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9790087329	[C@H]1(C[C@H]2CCC[C@]3(OC43CCCCC4)C2=O)CCC[C@]2(OC32CCCCC3)C1=O	InChI=1S/C25H36O4/c26-20-18(9-7-15-24(20)22(28-24)11-3-1-4-12-22)17-19-10-8-16-25(21(19)27)23(29-25)13-5-2-6-14-23/h18-19H,1-17H2/t18-,19-,24+,25+/m1/s1	C25H36O4	400.551	4	0	59.2	6	2	0	-2.4616	5.29259000000001	3.77	3.414	94.158	111.82	3.1283	396.705311543314
Cond-005681	NPD5736	NPD5736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.062006037	CC1(C)CC(=O)C(CO1)C(CC(=O)c1ccccc1)c1ccccc1	InChI=1S/C22H24O3/c1-22(2)14-21(24)19(15-25-22)18(16-9-5-3-6-10-16)13-20(23)17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3	C22H24O3	336.424	3	0	43.37	3	5	1	-0.1854	4.39579000000001	3.55	6.516	47.0842	100.739	2.7147	335.477754862752
Cond-005682	NPD5737	NPD5737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0939192147	CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccc(F)cc1)co2	InChI=1S/C25H26FNO7S/c1-25(2,3)34-24(30)27-19(11-12-35-4)23(29)33-17-9-10-18-20(13-17)31-14-21(22(18)28)32-16-7-5-15(26)6-8-16/h5-10,13-14,19H,11-12H2,1-4H3,(H,27,30)	C25H26FNO7S	503.54	8	1	125.46	3	12	2	0.5256	5.89955000000001	3.11	6.555	77.3665	137.0702	3.5672	452.82704125707
Cond-005683	NPD5738	NPD5738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.0706698311	CCOC(=O)c1ccc(o1)c1coc2c(ccc(OC(=O)C(C)NC(=O)OC(C)(C)C)c2)c1=O	InChI=1S/C24H25NO9/c1-6-30-22(28)18-10-9-17(33-18)16-12-31-19-11-14(7-8-15(19)20(16)26)32-21(27)13(2)25-23(29)34-24(3,4)5/h7-13H,6H2,1-5H3,(H,25,29)	C24H25NO9	471.457	10	1	130.37	3	11	1	0.193499999999999	3.73326000000001	3	4.326	77.0131	124.5247	3.3625	428.534927124419
Cond-005684	NPD5739	NPD5739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6518813798	O.O.O[C@@H]1CO[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O	InChI=1S/C11H14O5.2H2O/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7;;/h1-5,8-14H,6H2;2*1H2/t8-,9+,10-,11+;;/m1../s1	C11H18O7	262.256	5	3	79.15	2	2	0	-1.6965	0.00518999999999993	2.12	1.179	29.0154	56.8914	1.6058	199.241129584139
Cond-005685	NPD574	NPD574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.274536719	CC1(C)CC(CCO1)C(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C21H24O5/c1-21(2)11-13(8-9-25-21)18(22)12-24-14-6-7-16-15-4-3-5-17(15)20(23)26-19(16)10-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3	C21H24O5	356.412	5	0	61.83	4	4	0	-0.716100000000002	4.24817000000001	3.22	2.853	69.8375	100.347	2.6686	339.578682338807
Cond-005686	NPD5740	NPD5740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3983962764	OC[C@H]1O[C@@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H15BrO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1	C12H15BrO6	335.148	6	4	99.38	2	3	0	-1.3184	0.12859	2.01	1.159	43.577	70.5982	1.9804	244.610959888134
Cond-005687	NPD5741	NPD5741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8684992742	O.O[C@H]1CO[C@H](Oc2ccccc2)[C@H](O)[C@H]1O	InChI=1S/C11H14O5.H2O/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7;/h1-5,8-14H,6H2;1H2/t8-,9-,10+,11+;/m0./s1	C11H16O6	244.241	5	3	79.15	2	2	0	-1.6965	0.00518999999999993	2.12	1.179	29.0154	56.8914	1.6058	199.241129584139
Cond-005688	NPD5742	NPD5742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2509274407	OC1C(CI)OC(Oc2c(F)cccc2)C(O)C1O	InChI=1S/C12H14FIO5/c13-6-3-1-2-4-7(6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,15-17H,5H2	C12H14FIO5	384.139	5	3	79.15	2	3	0	0.1529	0.10819	2.01	2.267	47.232	74.7314	2.0226	247.881474730578
Cond-005689	NPD5743	NPD5743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3753312288	COC(=O)C1(C(CN(=O)=O)c2ccco2)C(CNC1=O)c1ccc(C)cc1	InChI=1S/C19H20N2O6/c1-12-5-7-13(8-6-12)14-10-20-17(22)19(14,18(23)26-2)15(11-21(24)25)16-4-3-9-27-16/h3-9,14-15H,10-11H2,1-2H3,(H,20,22)	C19H20N2O6	372.372	8	1	111.68	3	7	0	-0.3868	1.83381	2.67	4.5	48.6749	98.7087000000001	2.6677	331.954001503168
Cond-005690	NPD5744	NPD5744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.144450333	CC1=C/C(=C/c2ccc(o2)c2ccc(C)cc2)/C(=O)O1	InChI=1S/C17H14O3/c1-11-3-5-13(6-4-11)16-8-7-15(20-16)10-14-9-12(2)19-17(14)18/h3-10H,1-2H3/b14-10-	C17H14O3	266.291	3	0	39.44	3	2	1	1.1295	3.77048	3	5.156	37.8902	80.568	2.0102	248.997831733417
Cond-005691	NPD5745	NPD5745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6703149842	CC(C)CC1=C/C(=C\c2ccco2)/C(=O)O1	InChI=1S/C13H14O3/c1-9(2)6-12-8-10(13(14)16-12)7-11-4-3-5-15-11/h3-5,7-9H,6H2,1-2H3/b10-7+	C13H14O3	218.248	3	0	39.44	2	3	0	0.6833	3.12717	2.56	3.181	45.7888	62.226	1.6842	210.97972803315
Cond-005692	NPD5746	NPD5746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.5542063181	Cc1ccc(o1)c1ccc(C)c2c1oc(C)c2	InChI=1S/C15H14O2/c1-9-4-6-12(14-7-5-10(2)16-14)15-13(9)8-11(3)17-15/h4-8H,1-3H3	C15H14O2	226.27	2	0	26.28	3	1	0	1.2128	3.73215	2.89	4.534	20.2053	70.312	1.7557	199.988553182723
Cond-005693	NPD5748	NPD5748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9285236987	[C@H]12NN=C(C(=O)c3nccnc3)[C@H]1C(=O)N(C2=O)c1ccc(C)cc1	InChI=1S/C17H13N5O3/c1-9-2-4-10(5-3-9)22-16(24)12-13(20-21-14(12)17(22)25)15(23)11-8-18-6-7-19-11/h2-8,12,14,21H,1H3/t12-,14+/m1/s1	C17H13N5O3	335.317	8	1	104.62	4	3	0	-1.2079	0.700199999999999	2.45	2.304	40.0786	90.2317	2.3146	286.352256671851
Cond-005694	NPD5749	NPD5749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6057512846	COc1ccccc1C1CC(=NCCS1)c1c(O)cc(C)oc1=O	InChI=1S/C18H19NO4S/c1-11-9-14(20)17(18(21)23-11)13-10-16(24-8-7-19-13)12-5-3-4-6-15(12)22-2/h3-6,9,16,20H,7-8,10H2,1-2H3	C18H19NO4S	345.413	5	1	93.42	3	3	0	0.295099999999998	3.88757	2.78	3.083	71.2716	98.8678	2.5161	318.126286026412
Cond-005695	NPD575	NPD575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.2295142568	CCC(=O)N(CCC(C1CCOC(C)(C)C1)c1ccc(C)cc1)Cc1ccccc1	InChI=1S/C27H37NO2/c1-5-26(29)28(20-22-9-7-6-8-10-22)17-15-25(23-13-11-21(2)12-14-23)24-16-18-30-27(3,4)19-24/h6-14,24-25H,5,15-20H2,1-4H3	C27H37NO2	407.588	3	0	29.54	3	9	1	-0.285900000000003	5.72671000000001	4.1	8.892	69.9795	124.832	3.5033	426.800670200492
Cond-005696	NPD5750	NPD5750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1771469389	COc1cc(ccc1)C1CC(=NCCS1)c1c(O)cc(C)oc1=O	InChI=1S/C18H19NO4S/c1-11-8-15(20)17(18(21)23-11)14-10-16(24-7-6-19-14)12-4-3-5-13(9-12)22-2/h3-5,8-9,16,20H,6-7,10H2,1-2H3	C18H19NO4S	345.413	5	1	93.42	3	3	0	0.295099999999998	3.33207	2.78	2.872	71.2716	96.5408	2.5161	318.126286026412
Cond-005697	NPD5751	NPD5751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1678379686	COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1	InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3	C19H21NO5S	375.439	6	1	102.65	3	4	0	0.243299999999998	3.89617	2.78	2.428	78.5874	105.4198	2.7157	344.212497352841
Cond-005698	NPD5752	NPD5752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6473421047	COc1cc2c(cc1OC)C(NCC2)c1ccc2OCOc2c1	InChI=1S/C18H19NO4/c1-20-15-7-11-5-6-19-18(13(11)9-16(15)21-2)12-3-4-14-17(8-12)23-10-22-14/h3-4,7-9,18-19H,5-6,10H2,1-2H3	C18H19NO4	313.348	5	1	48.95	4	3	0	-0.6099	3.31138	2.89	2.399	37.9656	88.0777000000001	2.287	278.997261968812
Cond-005699	NPD5753	NPD5753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8913339017	CCC(Cc1ccccc1)NC(=O)/C=C/c1ccccc1	InChI=1S/C19H21NO/c1-2-18(15-17-11-7-4-8-12-17)20-19(21)14-13-16-9-5-3-6-10-16/h3-14,18H,2,15H2,1H3,(H,20,21)/b14-13+	C19H21NO	279.376	2	1	29.1	2	7	1	-0.4984	3.88848	3.33	8.2	34.7586	90.0247000000001	2.383	289.362566492996
Cond-005700	NPD5754	NPD5754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6472499366	CNc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1)[n+](C)cc2	InChI=1S/C21H24N2O3/c1-22-17-12-15-8-9-23(2)18(16(15)13-20(17)25-4)10-14-6-7-19(24-3)21(11-14)26-5/h6-9,11-13H,10H2,1-5H3/p+1	C21H25N2O3+	353.435	5	1	43.6	3	6	0	-1.4939	5.28216	3.22	3.294	41.3954	109.6527	2.7949	330.593520003619
Cond-005701	NPD5755	NPD5755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.499827185	OC12OC(=O)CC1CCCC2c1ccccc1	InChI=1S/C14H16O3/c15-13-9-11-7-4-8-12(14(11,16)17-13)10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2	C14H16O3	232.275	3	1	46.53	3	1	0	-0.8856	2.43969	2.67	4.189	33.1269	65.4258	1.7595	218.555712659017
Cond-005702	NPD5756	NPD5756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.780870527	CC(=O)c1c(C)cc2n1CCn1c(C)ccc21	InChI=1S/C14H16N2O/c1-9-8-13-12-5-4-10(2)15(12)6-7-16(13)14(9)11(3)17/h4-5,8H,6-7H2,1-3H3	C14H16N2O	228.29	3	0	26.93	3	1	0	0.877199999999999	2.70553	2.67	2.349	37.2254	70.355	1.7987	209.432320973428
Cond-005703	NPD5757	NPD5757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.5597133575	CC(=O)c1c(C)c(C)c2n1ccn1c(C)ccc21	InChI=1S/C15H16N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-8H,1-4H3	C15H16N2O	240.3	3	0	25.89	3	1	0	1.496	2.96166	2.78	2.737	33.3031	73.871	1.8966	213.191846898495
Cond-005704	NPD5758	NPD5758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3154450563	CC(=O)OCC(=O)[C@@]1(O)[C@@H](CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C25H34O7/c1-14(26)31-13-21(29)25(30)22(32-15(2)27)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h11,18-20,22,30H,5-10,12-13H2,1-4H3/t18?,19?,20?,22-,23+,24+,25-/m1/s1	C25H34O7	446.533	7	1	106.97	4	6	0	-0.363399999999997	3.08328	3.44	2.448	114.6697	117.2098	3.3926	439.879532944197
Cond-005705	NPD576	NPD576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7556057505	CC1CC2(C)Oc3c(cccc3)C3OCC1(COC(=O)NC1CCCCC1)[C@@H](C)C23	InChI=1S/C25H35NO4/c1-16-13-24(3)21-17(2)25(16,15-29-23(27)26-18-9-5-4-6-10-18)14-28-22(21)19-11-7-8-12-20(19)30-24/h7-8,11-12,16-18,21-22H,4-6,9-10,13-15H2,1-3H3,(H,26,27)	C25H35NO4	413.55	5	1	56.79	5	5	1	-2.1019	5.05879000000001	3.66	5.948	78.204	118.7957	3.2507	403.88561305068
Cond-005706	NPD5760	NPD5760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.6646696929	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(Cl)c(Cl)cc1	InChI=1S/C34H49Cl2NO2/c1-21(2)7-6-8-22(3)27-12-13-28-26-11-9-23-19-25(15-17-33(23,4)29(26)16-18-34(27,28)5)39-32(38)37-24-10-14-30(35)31(36)20-24/h9-10,14,20-22,25-29H,6-8,11-13,15-19H2,1-5H3,(H,37,38)/t22?,25?,26?,27?,28?,29?,33-,34+/m0/s1	C34H49Cl2NO2	574.664	3	1	38.33	5	9	1	3.4197	11.07617	4.65	13.422	132.634	166.2267	4.6032	569.754698122424
Cond-005707	NPD5761	NPD5761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.1624230973	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1C/C(=C\c1ccc(Cl)cc1)/C2=O	InChI=1S/C26H31ClO2/c1-25-11-9-20(28)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)29)13-16-3-6-19(27)7-4-16/h3-7,13,20-23,28H,8-12,14-15H2,1-2H3/b17-13+/t20?,21?,22?,23?,25-,26-/m0/s1	C26H31ClO2	410.976	2	1	37.3	5	1	1	1.2223	6.20347000000001	3.99	5.88	92.8945	119.4398	3.2108	402.542534436092
Cond-005708	NPD5762	NPD5762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0297702712	COc1ccc(Cc2nc(Cc3cc(OC)c(OC)cc3)c(c(N)n2)c2cc(OC)c(OC)cc2)cc1OC	InChI=1S/C30H33N3O6/c1-34-22-10-7-18(14-25(22)37-4)13-21-29(20-9-12-24(36-3)27(17-20)39-6)30(31)33-28(32-21)16-19-8-11-23(35-2)26(15-19)38-5/h7-12,14-15,17H,13,16H2,1-6H3,(H2,31,32,33)	C30H33N3O6	531.6	9	2	107.18	4	11	1	-0.6771	5.552	3.77	4.688	57.7369	151.1444	4.0368	488.50429909187
Cond-005709	NPD5763	NPD5763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3109057812	CC1(C)CC(NC=O)c2c(C1)ncc1c2c2c([nH]1)cccc2	InChI=1S/C18H19N3O/c1-18(2)7-13-17(14(8-18)20-10-22)16-11-5-3-4-6-12(11)21-15(16)9-19-13/h3-6,9-10,14,21H,7-8H2,1-2H3,(H,20,22)	C18H19N3O	293.363	4	2	57.78	4	2	0	0.1233	3.75158	3	3.513	38.7365	92.8877	2.2675	261.083643582662
Cond-005710	NPD5764	NPD5764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.342865043	COC(=O)C(=O)C1CCc2c([nH]c3c2cccc3)C1=O	InChI=1S/C15H13NO4/c1-20-15(19)14(18)10-7-6-9-8-4-2-3-5-11(8)16-12(9)13(10)17/h2-5,10,16H,6-7H2,1H3	C15H13NO4	271.268	5	1	76.23	3	3	0	-0.7635	1.81228	2.56	1.931	38.9192	76.1795	1.9299	236.829308091212
Cond-005711	NPD5765	NPD5765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.2549137077	CC(=O)N1C=Cc2c(cccc2)C1c1c[nH]c2c1cccc2	InChI=1S/C19H16N2O/c1-13(22)21-11-10-14-6-2-3-7-15(14)19(21)17-12-20-18-9-5-4-8-16(17)18/h2-12,19-20H,1H3	C19H16N2O	288.343	3	1	36.1	4	2	0	-1.1489	3.81619	3.22	4.809	29.1241	90.619	2.2226	262.109950598762
Cond-005712	NPD5766	NPD5766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6428489136	CCc1n(=O)c2c(c3c1c1c([nH]3)cccc1)/C(=N/O)/CC(C)(C)C2	InChI=1S/C19H21N3O2/c1-4-14-16-11-7-5-6-8-12(11)20-18(16)17-13(21-23)9-19(2,3)10-15(17)22(14)24/h5-8,20,23H,4,9-10H2,1-3H3/b21-13+	C19H21N3O2	323.389	5	2	75.32	4	1	0	-0.000700000000001033	4.79118000000001	3	3.834	45.8647	99.2845000000001	2.4671	287.16985490909
Cond-005713	NPD5767	NPD5767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.2591303947	CC(O)c1nc2c(cccc2)n1CC(O)Cn1c2ccccc2c2c1cccc2	InChI=1S/C24H23N3O2/c1-16(28)24-25-20-10-4-7-13-23(20)27(24)15-17(29)14-26-21-11-5-2-8-18(21)19-9-3-6-12-22(19)26/h2-13,16-17,28-29H,14-15H2,1H3	C24H23N3O2	385.458	5	2	63.21	5	5	1	-0.9205	5.13307000000001	3.55	5.227	33.0441	118.1626	2.934	331.583943235224
Cond-005714	NPD5768	NPD5768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2142445678	COC(=O)c1ccc(cc1)c1ncc(o1)c1ccccc1	InChI=1S/C17H13NO3/c1-20-17(19)14-9-7-13(8-10-14)16-18-11-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3	C17H13NO3	279.29	4	0	52.33	3	4	1	-0.1429	3.86039	2.89	5.011	13.6075	83.504	2.067	246.458133240784
Cond-005715	NPD5769	NPD5769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3571280444	CCCCCCc1cc2c(oc(=O)c(CC(=O)OCC)c2C)cc1O	InChI=1S/C20H26O5/c1-4-6-7-8-9-14-10-15-13(3)16(11-19(22)24-5-2)20(23)25-18(15)12-17(14)21/h10,12,21H,4-9,11H2,1-3H3	C20H26O5	346.417	5	1	72.83	2	9	0	-0.574700000000002	5.08326000000001	3.11	4.677	65.4787	102.093	2.7449	346.995615114541
Cond-005716	NPD577	NPD577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.896422317	[C@H]1(C[C@@H]2c3c(cccc3)N([C@@H]2N1C(=O)OC)S(=O)(=O)c1ccccc1)C(=O)OC	InChI=1S/C20H20N2O6S/c1-27-19(23)17-12-15-14-10-6-7-11-16(14)22(18(15)21(17)20(24)28-2)29(25,26)13-8-4-3-5-9-13/h3-11,15,17-18H,12H2,1-2H3/t15-,17+,18+/m1/s1	C20H20N2O6S	416.448	8	0	101.6	4	6	0	-0.982400000000001	2.43078	2.67	3.915	51.3744	102.293	2.8635	355.402551485835
Cond-005717	NPD5770	NPD5770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7856402221	[C@@H]12NC(=O)N(C)C(c3ccco3)[C@@H]1C(C)NC(=O)N2C	InChI=1S/C13H18N4O3/c1-7-9-10(8-5-4-6-20-8)16(2)13(19)15-11(9)17(3)12(18)14-7/h4-7,9-11H,1-3H3,(H,14,18)(H,15,19)/t7?,9-,10?,11-/m0/s1	C13H18N4O3	278.307	7	2	77.82	3	1	0	-1.4283	0.19919	2.12	0.139	51.5725	75.2834	2.0178	245.246768865817
Cond-005718	NPD5772	NPD5772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4676835872	[C@@H]12NC(=O)N(C(C)C)C(c3ccccc3)[C@@H]1C(C)NC(=O)N2C(C)C	InChI=1S/C19H28N4O2/c1-11(2)22-16(14-9-7-6-8-10-14)15-13(5)20-18(24)23(12(3)4)17(15)21-19(22)25/h6-13,15-17H,1-5H3,(H,20,24)(H,21,25)/t13?,15-,16?,17-/m0/s1	C19H28N4O2	344.451	6	2	64.68	3	3	0	-1.3744	2.18259	2.89	3.931	68.9506	99.0124000000001	2.7615	337.595991219657
Cond-005719	NPD5773	NPD5773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7485886772	COc1ccc(cc1)c1cn2c([nH]1)nc1c2c(=O)n(C)c(=O)n1C	InChI=1S/C16H15N5O3/c1-19-13-12(14(22)20(2)16(19)23)21-8-11(17-15(21)18-13)9-4-6-10(24-3)7-5-9/h4-8H,1-3H3,(H,17,18)	C16H15N5O3	325.322	8	1	79.7	4	2	0	-1.5056	2.17928	2.34	2.201	48.6793	92.1737	2.2597	274.329189447584
Cond-005720	NPD5774	NPD5774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6979193069	[C@@H]12NC(=O)N(C)C(c3ccc(cc3)N(=O)=O)[C@@H]1C(C)NC(=O)N2C	InChI=1S/C15H19N5O4/c1-8-11-12(9-4-6-10(7-5-9)20(23)24)18(2)15(22)17-13(11)19(3)14(21)16-8/h4-8,11-13H,1-3H3,(H,16,21)(H,17,22)/t8?,11-,12?,13-/m0/s1	C15H19N5O4	333.342	9	2	107.82	3	2	0	-0.614099999999999	0.39259	2.12	1.419	53.8434	89.1164	2.3721	294.352807624679
Cond-005721	NPD5775	NPD5775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0712228392	COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccnc2)cc1OC	InChI=1S/C23H23N3O4/c1-29-20-10-9-16(14-21(20)30-2)11-13-25-23(28)18-7-3-4-8-19(18)26-22(27)17-6-5-12-24-15-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,28)(H,26,27)	C23H23N3O4	405.446	7	2	89.55	3	10	0	-1.106	3.89208	3.22	4.171	38.6786	117.4799	3.0847	375.74487071128
Cond-005722	NPD5776	NPD5776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6796239545	OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O	InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m1/s1	C9H11BrN2O6	323.097	8	4	119.33	2	2	0	-1.8941	-1.62642	1.46	-1.364	59.3749	63.1211	1.7573	225.616526426867
Cond-005723	NPD5777	NPD5777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	58.3331413166	CCOc1ccc(Oc2coc3c(c2=O)c(O)cc(O)c3)cc1	InChI=1S/C17H14O6/c1-2-21-11-3-5-12(6-4-11)23-15-9-22-14-8-10(18)7-13(19)16(14)17(15)20/h3-9,18-19H,2H2,1H3	C17H14O6	314.289	6	2	85.22	3	4	0	-1.794	3.88816	2.67	2.732	34.211	87.9256	2.1863	275.368511835101
Cond-005724	NPD5778	NPD5778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.66095993	CCOCc1c(O)ccc2c1occ(Oc1ccccc1)c2=O	InChI=1S/C18H16O5/c1-2-21-10-14-15(19)9-8-13-17(20)16(11-22-18(13)14)23-12-6-4-3-5-7-12/h3-9,11,19H,2,10H2,1H3	C18H16O5	312.317	5	1	64.99	3	5	0	-1.3221	4.03557	2.89	3.849	36.3586	89.9318	2.2685	283.874269760406
Cond-005725	NPD5779	NPD5779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0942878868	OC(=O)c1c(c(=O)c2c(o1)cc(O)cc2)c1ccc(F)cc1	InChI=1S/C16H9FO5/c17-9-3-1-8(2-4-9)13-14(19)11-6-5-10(18)7-12(11)22-15(13)16(20)21/h1-7,18H,(H,20,21)	C16H9FO5	300.238	5	2	83.83	3	2	0	-0.8129	3.15427	2.56	3.025	26.0477	78.2631000000001	1.9614	252.713400658179
Cond-005726	NPD578	NPD578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.357518139	CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NC(C)C(=O)O)cc1	InChI=1S/C22H24N2O5/c1-14(2)29-18-11-9-16(10-12-18)13-19(21(26)23-15(3)22(27)28)24-20(25)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,26)(H,24,25)(H,27,28)/b19-13-	C22H24N2O5	396.436	7	3	104.73	2	10	1	-1.6961	2.88518	3.11	5.1	57.7845	111.5127	3.0543	382.135269979408
Cond-005727	NPD5780	NPD5780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4166916288	CCc1cc2c(oc([C@@H](C)NC(=O)OC(C)(C)C)c(c3nc(C)cs3)c2=O)cc1OC(=O)[C@@H](C)NC(=O)OC(C)(C)C	InChI=1S/C30H39N3O8S/c1-11-18-12-19-21(13-20(18)39-26(35)17(4)33-28(37)41-30(8,9)10)38-24(16(3)32-27(36)40-29(5,6)7)22(23(19)34)25-31-15(2)14-42-25/h12-14,16-17H,11H2,1-10H3,(H,32,36)(H,33,37)/t16-,17-/m1/s1	C30H39N3O8S	601.711	11	2	170.39	3	14	2	2.4477	6.32848000000001	3.44	6.245	120.6642	163.9719	4.5123	564.023152652991
Cond-005728	NPD5781	NPD5781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0574667619	[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)(NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1F)co2	InChI=1S/C38H41FN2O11/c1-37(2,3)51-35(45)41-28(20-23-13-15-24(16-14-23)49-36(46)52-38(4,5)6)34(44)40-19-9-12-32(42)48-25-17-18-26-30(21-25)47-22-31(33(26)43)50-29-11-8-7-10-27(29)39/h7-8,10-11,13-18,21-22,28H,9,12,19-20H2,1-6H3,(H,40,44)(H,41,45)/t28-/m1/s1	C38H41FN2O11	720.737	13	2	164.79	4	20	2	0.788399999999999	8.10024	4.1	8.73	107.8759	195.383899999999	5.24640000000001	668.884732141345
Cond-005729	NPD5782	NPD5782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6012580935	C(NC(=O)[C@@H](CCCN/C(=N\N(=O)=O)/N)NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	InChI=1S/C34H39N7O10/c35-33(40-41(47)48)36-18-10-17-27(39-34(46)51-23-26-15-8-3-9-16-26)31(44)37-20-29(42)38-28(32(45)50-22-25-13-6-2-7-14-25)19-30(43)49-21-24-11-4-1-5-12-24/h1-9,11-16,27-28H,10,17-23H2,(H,37,44)(H,38,42)(H,39,46)(H3,35,36,40)/t27-,28-/m1/s1	C34H39N7O10	705.714	17	6	242.68	3	26	3	-3.0022	0.0739900000000022	3.33	7.666	91.5777	183.8972	5.17100000000001	649.546809127845
Cond-005730	NPD5784	NPD5784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.9602986244	CCCn1c(=O)c(CC(=O)O)c(O)c2c1cccc2	InChI=1S/C14H15NO4/c1-2-7-15-11-6-4-3-5-9(11)13(18)10(14(15)19)8-12(16)17/h3-6,18H,2,7-8H2,1H3,(H,16,17)	C14H15NO4	261.273	5	2	77.84	2	4	0	-1.3558	2.23818	2.45	2.066	43.4365	73.0686000000001	1.9406	245.426240866945
Cond-005731	NPD5785	NPD5785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.0940113828	CCN(CC)c1cc2c(cc1)cc(c(=O)o2)c1c(O)c2c([nH]c1=O)cccc2	InChI=1S/C22H20N2O4/c1-3-24(4-2)14-10-9-13-11-16(22(27)28-18(13)12-14)19-20(25)15-7-5-6-8-17(15)23-21(19)26/h5-12H,3-4H2,1-2H3,(H2,23,25,26)	C22H20N2O4	376.405	6	2	78.87	4	4	0	-0.0260000000000004	4.90866	3.22	4.455	56.4147	112.7205	2.7784	348.632125877246
Cond-005732	NPD5786	NPD5786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0017511924	CCOC(=O)c1c(O)n2CCCc3c2c(ccc3)c1=O	InChI=1S/C15H15NO4/c1-2-20-15(19)11-13(17)10-7-3-5-9-6-4-8-16(12(9)10)14(11)18/h3,5,7,18H,2,4,6,8H2,1H3	C15H15NO4	273.284	5	1	66.84	3	3	0	-0.0378000000000005	2.65537	2.56	3.719	46.4325	76.1243	1.9729	250.365766792011
Cond-005733	NPD5787	NPD5787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7948109403	CCCCOC(=O)c1ccc(NC(=O)C2=C(O)N3CCCc4c3c(ccc4)C2O)cc1	InChI=1S/C24H26N2O5/c1-2-3-14-31-24(30)16-9-11-17(12-10-16)25-22(28)19-21(27)18-8-4-6-15-7-5-13-26(20(15)18)23(19)29/h4,6,8-12,21,27,29H,2-3,5,7,13-14H2,1H3,(H,25,28)	C24H26N2O5	422.474	7	3	99.1	4	8	1	-1.7853	3.93197000000001	3.33	6.048	60.9341	119.3833	3.1619	394.650780530341
Cond-005734	NPD5788	NPD5788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.3247540266	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)OCC	InChI=1S/C28H42N4O10/c1-9-39-22(34)16-29-21(33)15-30-23(35)17(2)31-24(36)20(32-25(37)41-27(3,4)5)14-18-10-12-19(13-11-18)40-26(38)42-28(6,7)8/h10-13,17,20H,9,14-16H2,1-8H3,(H,29,33)(H,30,35)(H,31,36)(H,32,37)/t17-,20?/m0/s1	C28H42N4O10	594.654	14	4	187.46	1	22	2	0.195999999999998	1.83528	3	3.333	120.5772	155.3378	4.5444	577.748749055346
Cond-005735	NPD5789	NPD5789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8777621604	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCCC1C(=O)N	InChI=1S/C29H43N5O9/c1-17(24(37)31-16-22(35)34-14-8-9-21(34)23(30)36)32-25(38)20(33-26(39)42-28(2,3)4)15-18-10-12-19(13-11-18)41-27(40)43-29(5,6)7/h10-13,17,20-21H,8-9,14-16H2,1-7H3,(H2,30,36)(H,31,37)(H,32,38)(H,33,39)/t17-,20?,21?/m0/s1	C29H43N5O9	605.68	14	5	195.46	2	19	2	-1.2201	1.63228	3.11	2.612	121.0327	159.6245	4.6178	584.894808488018
Cond-005736	NPD5790	NPD5790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1312011798	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC	InChI=1S/C34H46N4O10/c1-21(28(40)35-20-27(39)37-26(30(42)45-8)19-22-12-10-9-11-13-22)36-29(41)25(38-31(43)47-33(2,3)4)18-23-14-16-24(17-15-23)46-32(44)48-34(5,6)7/h9-17,21,25-26H,18-20H2,1-8H3,(H,35,40)(H,36,41)(H,37,39)(H,38,43)/t21-,25?,26-/m0/s1	C34H46N4O10	670.75	14	4	187.46	2	23	3	0.0527000000000002	3.05648	3.66	6.701	119.9096	179.7878	5.15220000000001	650.358822007345
Cond-005737	NPD5791	NPD5791	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7533583723	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N	InChI=1S/C26H39N5O9/c1-15(21(34)29-14-20(33)28-13-19(27)32)30-22(35)18(31-23(36)39-25(2,3)4)12-16-8-10-17(11-9-16)38-24(37)40-26(5,6)7/h8-11,15,18H,12-14H2,1-7H3,(H2,27,32)(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t15-,18?/m0/s1	C26H39N5O9	565.616	14	6	204.25	1	20	2	-0.700400000000003	0.757480000000001	2.78	1.861	111.7365	147.8992	4.3037	545.36331331122
Cond-005738	NPD5792	NPD5792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1957187954	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC	InChI=1S/C31H48N4O10/c1-18(2)15-23(27(39)42-10)34-24(36)17-32-25(37)19(3)33-26(38)22(35-28(40)44-30(4,5)6)16-20-11-13-21(14-12-20)43-29(41)45-31(7,8)9/h11-14,18-19,22-23H,15-17H2,1-10H3,(H,32,37)(H,33,38)(H,34,36)(H,35,40)/t19-,22?,23-/m0/s1	C31H48N4O10	636.734	14	4	187.46	1	23	2	0.818800000000002	2.85988	3.33	4.871	133.7638	169.0968	4.96710000000001	629.636702932945
Cond-005739	NPD5793	NPD5793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6473421047	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)OC	InChI=1S/C30H46N4O10/c1-17(2)23(26(38)41-10)34-22(35)16-31-24(36)18(3)32-25(37)21(33-27(39)43-29(4,5)6)15-19-11-13-20(14-12-19)42-28(40)44-30(7,8)9/h11-14,17-18,21,23H,15-16H2,1-10H3,(H,31,36)(H,32,37)(H,33,39)(H,34,35)/t18-,21?,23-/m0/s1	C30H46N4O10	622.707	14	4	187.46	1	22	2	0.563200000000002	2.46978	3.22	4.091	129.312	164.4798	4.8262	612.340718307079
Cond-005740	NPD5794	NPD5794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8962418489	[C@@H](C)(NC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)OC	InChI=1S/C28H42N4O10/c1-16(22(34)29-15-21(33)30-17(2)24(36)39-9)31-23(35)20(32-25(37)41-27(3,4)5)14-18-10-12-19(13-11-18)40-26(38)42-28(6,7)8/h10-13,16-17,20H,14-15H2,1-9H3,(H,29,34)(H,30,33)(H,31,35)(H,32,37)/t16-,17-,20?/m0/s1	C28H42N4O10	594.654	14	4	187.46	1	21	2	0.041599999999999	1.83368	3	3.436	120.9429	155.3158	4.5444	577.748749055346
Cond-005741	NPD5796	NPD5796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2463881656	CCCc1cc2c(occ(c2=O)c2ncccc2)cc1OCC(=O)O	InChI=1S/C19H17NO5/c1-2-5-12-8-13-17(9-16(12)25-11-18(21)22)24-10-14(19(13)23)15-6-3-4-7-20-15/h3-4,6-10H,2,5,11H2,1H3,(H,21,22)	C19H17NO5	339.342	6	1	85.72	3	6	0	-1.4367	4.16646	2.89	3.581	42.3814	97.0433	2.4662	309.53055589364
Cond-005742	NPD5797	NPD5797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3524044333	CCC(C)[C@@H](NCc1c2oc(=O)cc(C)c2ccc1O)C(=O)O	InChI=1S/C17H21NO5/c1-4-9(2)15(17(21)22)18-8-12-13(19)6-5-11-10(3)7-14(20)23-16(11)12/h5-7,9,15,18-19H,4,8H2,1-3H3,(H,21,22)/t9?,15-/m1/s1	C17H21NO5	319.352	6	3	95.86	2	6	0	-0.6529	2.94117	2.67	2.458	59.2817	91.2825000000001	2.422	306.104421445107
Cond-005743	NPD5798	NPD5798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4030738035	[C@H](CCCCNC(=O)OC(C)(C)C)(NCc1c(O)ccc2c1oc(=O)cc2C)C(=O)O	InChI=1S/C22H30N2O7/c1-13-11-18(26)30-19-14(13)8-9-17(25)15(19)12-24-16(20(27)28)7-5-6-10-23-21(29)31-22(2,3)4/h8-9,11,16,24-25H,5-7,10,12H2,1-4H3,(H,23,29)(H,27,28)/t16-/m1/s1	C22H30N2O7	434.483	9	4	134.19	2	12	1	-0.452400000000002	3.59007000000001	2.89	2.856	83.6764	119.9152	3.3007	418.52509948293
Cond-005744	NPD5799	NPD5799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6703610682	[C@H](CCSC)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1CC)c(=O)c(c1nc(C)cs1)c(o2)[C@@H](CCSC)NC(=O)OC(C)(C)C	InChI=1S/C34H47N3O8S3/c1-11-20-16-21-25(17-24(20)43-30(39)23(13-15-47-10)37-32(41)45-34(6,7)8)42-28(26(27(21)38)29-35-19(2)18-48-29)22(12-14-46-9)36-31(40)44-33(3,4)5/h16-18,22-23H,11-15H2,1-10H3,(H,36,40)(H,37,41)/t22-,23-/m1/s1	C34H47N3O8S3	721.947	11	2	220.99	3	20	2	3.1781	7.79488000000001	3.66	8.187	151.0948	198.6219	5.4029	670.225139271655
Cond-005745	NPD58	NPD58	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6227182446	CC(C)Oc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(OC(C)C)cc1	InChI=1S/C24H30O4/c1-17(2)27-21-13-9-19(10-14-21)23(25)7-5-6-8-24(26)20-11-15-22(16-12-20)28-18(3)4/h9-18H,5-8H2,1-4H3	C24H30O4	382.493	4	0	52.6	2	11	2	-1.2378	5.85539000000001	3.66	5.64	59.2424	114.5625	3.1638	391.216409515847
Cond-005746	NPD580	NPD580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1079843556	[Na+].CO/N=C(\C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)[O-])COC(=O)C)/c1csc(N)n1	InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14?;/m1./s1	C16H16N5NaO7S2	477.447	12	3	229.88	3	9	0	-2.1708	-1.39193	1.68	-3.051	89.6195	107.7751	2.9086	368.446373715429
Cond-005747	NPD5800	NPD5800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.2322173322	CCCc1cc2c(occ(c2=O)c2ccccn2)cc1OC(=O)CN	InChI=1S/C19H18N2O4/c1-2-5-12-8-13-17(9-16(12)25-18(22)10-20)24-11-14(19(13)23)15-6-3-4-7-21-15/h3-4,6-9,11H,2,5,10,20H2,1H3	C19H18N2O4	338.357	6	2	91.51	3	6	0	-1.8838	3.56716	2.89	3.316	44.0568	98.6019	2.5073	311.737089401246
Cond-005748	NPD5801	NPD5801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2832553745	CC(=O)Oc1cc2c(cc1)c(=O)c(c1ccc(F)cc1)c(o2)C(=O)O	InChI=1S/C18H11FO6/c1-9(20)24-12-6-7-13-14(8-12)25-17(18(22)23)15(16(13)21)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,22,23)	C18H11FO6	342.275	6	1	89.9	3	4	0	-0.433800000000001	3.37397	2.67	3.765	35.1992	87.9073	2.2589	293.459137909674
Cond-005749	NPD5802	NPD5802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1081361322	OC(=O)c1c(Oc2ccccc2)c(=O)c2c(o1)cc(O)cc2	InChI=1S/C16H10O6/c17-9-6-7-11-12(8-9)22-15(16(19)20)14(13(11)18)21-10-4-2-1-3-5-10/h1-8,17H,(H,19,20)	C16H10O6	298.247	6	2	93.06	3	3	0	-1.6979	3.50416	2.56	3.555	27.3421	81.8921	2.0024	255.436068508434
Cond-005750	NPD5803	NPD5803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.0568676698	COC(=O)C(Cc1ccccc1)NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C27H23NO7/c1-32-27(31)22(14-18-8-4-2-5-9-18)28-25(29)17-33-20-12-13-21-23(15-20)34-16-24(26(21)30)35-19-10-6-3-7-11-19/h2-13,15-16,22H,14,17H2,1H3,(H,28,29)	C27H23NO7	473.474	8	1	100.16	4	11	2	-2.1462	4.62306000000001	3.55	7.112	51.2714	133.2362	3.43020000000001	431.676592797697
Cond-005751	NPD5804	NPD5804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2464342496	COc1ccc(cc1)c1c/c(=N\O)/c2ccccc2o1	InChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)16-10-14(17-18)13-4-2-3-5-15(13)20-16/h2-10,18H,1H3/b17-14+	C16H13NO3	267.279	4	1	51.05	3	2	0	-0.5135	3.99567	2.78	4.466	27.387	79.7827	1.9691	242.698607315717
Cond-005752	NPD5805	NPD5805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.0930436185	Oc1ccc(cc1)c1c/c(=N\c2ccccc2)/c2ccccc2o1	InChI=1S/C21H15NO2/c23-17-12-10-15(11-13-17)21-14-19(22-16-6-2-1-3-7-16)18-8-4-5-9-20(18)24-21/h1-14,23H/b22-19+	C21H15NO2	313.349	3	1	41.82	4	2	1	-0.8057	5.53286	3.44	6.624	20.358	100.026	2.3773	289.22246894129
Cond-005753	NPD5806	NPD5806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.776515588	CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(Oc2cc(cc(c2)C(=O)O)C(=O)O)ccc1C(=O)O	InChI=1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-32-20-18-29(19-21-32)37(45)28-39(47)44-36-27-33(22-23-35(36)42(52)53)54-34-25-30(40(48)49)24-31(26-34)41(50)51/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53)	C42H52N2O10	744.87	12	5	196.4	3	28	3	-6.60600000000001	10.45418	4.76	12.692	102.1771	211.113299999999	5.84220000000002	735.567343794743
Cond-005754	NPD5808	NPD5808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0535386354	CC1(CO1)C1CCC2C3C[C@H](O)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C22H36O3/c1-20-8-6-13(23)10-17(20)18(24)11-14-15-4-5-19(22(3)12-25-22)21(15,2)9-7-16(14)20/h13-19,23-24H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18+,19?,20-,21+,22?/m1/s1	C22H36O3	348.519	3	2	52.99	5	1	0	-0.0651999999999998	3.76590000000001	3.55	4.835	93.7627	96.9706000000001	2.8415	353.656507067552
Cond-005755	NPD5809	NPD5809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.455007769	Brc1cc2c(cc1)c(=O)c(/C=C/C=O)co2	InChI=1S/C12H7BrO3/c13-9-3-4-10-11(6-9)16-7-8(12(10)15)2-1-5-14/h1-7H/b2-1+	C12H7BrO3	279.086	3	0	43.37	2	2	0	0.3908	3.25026	2.34	2.427	40.4418	67.1515	1.6323	207.69444498325
Cond-005756	NPD581	NPD581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1678908709	COc1ccc(cc1Cn1cc(cn1)N(=O)=O)C1NCCc2c1[nH]c1c2cc(OCc2ccccc2)cc1	InChI=1S/C29H27N5O4/c1-37-27-10-7-20(13-21(27)16-33-17-22(15-31-33)34(35)36)28-29-24(11-12-30-28)25-14-23(8-9-26(25)32-29)38-18-19-5-3-2-4-6-19/h2-10,13-15,17,28,30,32H,11-12,16,18H2,1H3	C29H27N5O4	509.556	9	2	107.24	6	8	1	-0.1334	5.06278000000001	3.66	5.659	44.3092	145.8807	3.7179	437.372005378814
Cond-005757	NPD5810	NPD5810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.108301549	OCC(NC(=O)C(=O)NCC(=O)O)C(=O)O	InChI=1S/C7H10N2O7/c10-2-3(7(15)16)9-6(14)5(13)8-1-4(11)12/h3,10H,1-2H2,(H,8,13)(H,9,14)(H,11,12)(H,15,16)	C7H10N2O7	234.164	9	5	153.03	0	8	0	-2.5568	-3.01721	1.24	-2.95	44.4832	50.5408	1.5334	202.607623598928
Cond-005758	NPD5811	NPD5811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.428497434	COc1cc2c(oc(=O)cc2)c(OC(=O)C)c1OC(=O)C	InChI=1S/C14H12O7/c1-7(15)19-13-10(18-3)6-9-4-5-11(17)21-12(9)14(13)20-8(2)16/h4-6H,1-3H3	C14H12O7	292.241	7	0	88.13	2	5	0	0.0557999999999999	2.02997	2.23	1.605	47.2832	74.523	1.9739	258.163702059661
Cond-005759	NPD5812	NPD5812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8892498941	CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1	InChI=1S/C18H22BrNO6/c1-11(2)9-26-18(24)20-8-14(21)7-15(20)17(23)25-10-16(22)12-3-5-13(19)6-4-12/h3-6,11,14-15,21H,7-10H2,1-2H3/t14-,15+/m1/s1	C18H22BrNO6	428.274	7	1	93.14	2	9	0	-0.1116	2.00079	2.56	2.577	69.4807	99.5893	2.7966	351.474251749102
Cond-005760	NPD5813	NPD5813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.360832509	OC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O	InChI=1S/C24H26N2O9/c27-20(28)12-11-18(23(31)32)25-22(30)19(13-21(29)34-14-16-7-3-1-4-8-16)26-24(33)35-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,25,30)(H,26,33)(H,27,28)(H,31,32)/t18-,19-/m0/s1	C24H26N2O9	486.471	11	4	168.33	2	17	2	-1.7989	1.40399	2.89	4.216	65.0446	122.573	3.5279	449.251687332586
Cond-005761	NPD5814	NPD5814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.038894382	Cc1cc(=O)oc2c1ccc(NC(=O)[C@H](CCCN/C(=N\C(=O)OCc1ccccc1)/NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c2	InChI=1S/C40H39N5O9/c1-27-22-35(46)54-34-23-31(19-20-32(27)34)42-36(47)33(43-38(48)51-24-28-12-5-2-6-13-28)18-11-21-41-37(44-39(49)52-25-29-14-7-3-8-15-29)45-40(50)53-26-30-16-9-4-10-17-30/h2-10,12-17,19-20,22-23,33H,11,18,21,24-26H2,1H3,(H,42,47)(H,43,48)(H2,41,44,45,49,50)/t33-/m0/s1	C40H39N5O9	733.766	14	4	182.75	5	22	3	-0.9502	5.30867000000001	4.32	10.298	88.6316	200.6138	5.41190000000001	679.016676262149
Cond-005762	NPD5815	NPD5815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.594528417	[C@H](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCCCCCC(=O)OCc1ccccc1)C(=O)N	InChI=1S/C26H40N4O7/c1-18(29-25(35)37-26(2,3)4)24(34)30-20(23(27)33)14-15-21(31)28-16-10-6-9-13-22(32)36-17-19-11-7-5-8-12-19/h5,7-8,11-12,18,20H,6,9-10,13-17H2,1-4H3,(H2,27,33)(H,28,31)(H,29,35)(H,30,34)/t18-,20-/m1/s1	C26H40N4O7	520.618	11	5	165.92	1	21	2	-2.368	1.32839	3.11	3.167	99.623	139.0045	4.1295	519.422558402731
Cond-005763	NPD5816	NPD5816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.33677073	CC(=O)N[C@H]1[C@H](OCCCc2ccccc2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C23H31NO9/c1-14(25)24-20-22(32-17(4)28)21(31-16(3)27)19(13-30-15(2)26)33-23(20)29-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,19-23H,8,11-13H2,1-4H3,(H,24,25)/t19-,20-,21-,22-,23-/m1/s1	C23H31NO9	465.494	10	1	126.46	2	14	1	-1.4485	1.52579	2.89	3.792	85.2229	117.9647	3.4592	442.404777301752
Cond-005764	NPD5817	NPD5817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.297358384	O=NN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C11H13N3O2/c15-11-3-1-2-10-9-4-8(6-14(10)11)5-13(7-9)12-16/h1-3,8-9H,4-7H2/t8-,9-/m0/s1	C11H13N3O2	219.24	5	0	52.98	3	1	0	-0.881500000000001	0.24008	2.12	-0.121	60.596	56.128	1.5775	201.767812705356
Cond-005765	NPD5818	NPD5818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.438621274	COc1ccccc1CC(CC(=O)O)C(=O)O	InChI=1S/C12H14O5/c1-17-10-5-3-2-4-8(10)6-9(12(15)16)7-11(13)14/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)	C12H14O5	238.237	5	2	83.83	1	6	0	-0.3201	1.64709	2.23	1.56	34.6798	63.3196	1.7693	223.620655509206
Cond-005766	NPD582	NPD582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9679570828	Cc1c2c(coc2c2c(oc(=O)c(Cc3ccccc3)c2C)c1)c1ccccc1	InChI=1S/C26H20O3/c1-16-13-22-24(25-23(16)21(15-28-25)19-11-7-4-8-12-19)17(2)20(26(27)29-22)14-18-9-5-3-6-10-18/h3-13,15H,14H2,1-2H3	C26H20O3	380.435	3	0	39.44	5	3	1	1.5716	6.66339	3.99	9.09	31.3944	118.791	2.8891	347.602941161419
Cond-005767	NPD5820	NPD5820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8934406931	COc1cc2c(cc1OC)[C@H](C)[N+](C)(CC(C)O)CC2	InChI=1S/C16H26NO3/c1-11(18)10-17(3)7-6-13-8-15(19-4)16(20-5)9-14(13)12(17)2/h8-9,11-12,18H,6-7,10H2,1-5H3/q+1/t11?,12-,17?/m0/s1	C16H26NO3+	280.383	4	1	38.69	2	4	0	-1.6249	1.8072	2.78	1.307	55.3623	78.4862000000001	2.3142	280.455588870918
Cond-005768	NPD5821	NPD5821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6865847342	[C@H]12CCCCN1CCC[C@H]2COC(=S)NCC	InChI=1S/C13H24N2OS/c1-2-14-13(17)16-10-11-6-5-9-15-8-4-3-7-12(11)15/h11-12H,2-10H2,1H3,(H,14,17)/t11-,12+/m0/s1	C13H24N2OS	256.407	3	1	56.59	2	5	0	-0.0371	2.1619	2.45	2.309	66.1077	74.1627	2.1019	255.347653909161
Cond-005769	NPD5822	NPD5822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1993219381	C[C@@H]1CCC2[C@](C)(COC(=O)c3ccccc3)[C@H](CC[C@]2(C)[C@]21CCC1(COC(=O)C1)O2)OC(=O)c1ccccc1	InChI=1S/C34H40O7/c1-23-14-15-26-31(2,21-39-29(36)24-10-6-4-7-11-24)27(40-30(37)25-12-8-5-9-13-25)16-17-32(26,3)34(23)19-18-33(41-34)20-28(35)38-22-33/h4-13,23,26-27H,14-22H2,1-3H3/t23-,26?,27+,31+,32+,33?,34-/m1/s1	C34H40O7	560.677	7	0	88.13	6	7	1	0.3541	6.12479000000001	4.43	9.194	96.6161	154.0845	4.2715	538.484642372197
Cond-005770	NPD5823	NPD5823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.741347648	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(C)C[N+]1(C)CCOCC1	InChI=1S/C19H38N2O2/c1-17(15-20(2)11-13-22-14-12-20)23-16-18-7-6-10-21(3)9-5-4-8-19(18)21/h17-19H,4-16H2,1-3H3/q+2/t17?,18-,19+,21?/m0/s1	C19H38N2O2++	326.517	4	0	18.46	3	5	0	-4.1506	2.2774	3.11	1.043	83.9247	93.2998000000001	2.8199	342.321223008124
Cond-005771	NPD5824	NPD5824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8114611292	[C@H]12CCCCN1CCC[C@H]2CSc1cccc2c1nccc2	InChI=1S/C19H24N2S/c1-2-12-21-13-5-8-16(17(21)9-1)14-22-18-10-3-6-15-7-4-11-20-19(15)18/h3-4,6-7,10-11,16-17H,1-2,5,8-9,12-14H2/t16-,17+/m0/s1	C19H24N2S	312.472	2	0	41.43	4	3	0	-0.614300000000001	4.99659	3.22	4.611	47.127	95.4440000000001	2.4994	293.274582759001
Cond-005772	NPD5825	NPD5825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.6325281349	O=C(Nc1cc(=O)oc2c1cccc2)c1cccnc1	InChI=1S/C15H10N2O3/c18-14-8-12(11-5-1-2-6-13(11)20-14)17-15(19)10-4-3-7-16-9-10/h1-9H,(H,17,19)	C15H10N2O3	266.251	5	1	68.29	3	3	0	-0.8116	2.32347	2.56	2.669	23.3044	75.9992	1.885	233.762924197217
Cond-005773	NPD5826	NPD5826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2516362951	COC1Oc2c(c(C)cc3c2c1c(OC)c(O)c3C(C)C)c1c2OC(OC)c3c(OC)c(O)c(C(C)C)c(cc1C)c23	InChI=1S/C34H38O8/c1-13(2)19-17-11-15(5)21(29-23(17)25(33(39-9)41-29)31(37-7)27(19)35)22-16(6)12-18-20(14(3)4)28(36)32(38-8)26-24(18)30(22)42-34(26)40-10/h11-14,33-36H,1-10H3	C34H38O8	574.661	8	2	95.84	6	7	1	1.2582	9.74070999999999	4.32	5.494	83.5254	172.746	4.2872	522.838410371958
Cond-005774	NPD5827	NPD5827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3953477421	OC(CCl)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C14H19ClN2O2/c15-5-12(18)9-16-6-10-4-11(8-16)13-2-1-3-14(19)17(13)7-10/h1-3,10-12,18H,4-9H2/t10-,11+,12?/m1/s1	C14H19ClN2O2	282.766	4	1	43.78	3	3	0	-0.497699999999999	0.90637	2.45	0.0809999999999998	75.8394	76.4028	2.0658	260.506532846023
Cond-005775	NPD5828	NPD5828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3130385648	CC(C)c1c(O)c(O)c(/C=N/CCCN2CCOCC2)c2c1cc(C)c(c2O)c1c(O)c2c(cc1C)c(C(C)C)c(O)c(O)c2/C=N/CCCN1CCOCC1	InChI=1S/C44H58N4O8/c1-25(2)33-29-21-27(5)35(41(51)37(29)31(39(49)43(33)53)23-45-9-7-11-47-13-17-55-18-14-47)36-28(6)22-30-34(26(3)4)44(54)40(50)32(38(30)42(36)52)24-46-10-8-12-48-15-19-56-20-16-48/h21-26,49-54H,7-20H2,1-6H3/b45-23+,46-24+	C44H58N4O8	770.953	12	6	171.04	6	13	2	-1.5674	8.38018999999999	4.98	4.69	141.0596	233.990799999999	6.00940000000002	734.512380061687
Cond-005776	NPD5829	NPD5829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1846776852	CC(C)c1c(O)c(O)c(/C=N/c2ccc(Cl)cc2Cl)c2c(O)c(c(C)cc12)c1c(O)c2c(/C=N/c3ccc(Cl)cc3Cl)c(O)c(O)c(C(C)C)c2cc1C	InChI=1S/C42H36Cl4N2O6/c1-17(2)31-23-11-19(5)33(39(51)35(23)25(37(49)41(31)53)15-47-29-9-7-21(43)13-27(29)45)34-20(6)12-24-32(18(3)4)42(54)38(50)26(36(24)40(34)52)16-48-30-10-8-22(44)14-28(30)46/h7-18,49-54H,1-6H3/b47-15+,48-16+	C42H36Cl4N2O6	806.557	8	6	146.1	6	7	2	2.5768	14.00797	4.76	10.454	92.4918	234.3788	5.64220000000001	683.571955869433
Cond-005777	NPD583	NPD583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3030689283	CCOC(=O)C(C)Oc1c2c(oc(=O)cc2c2ccccc2)cc(C)c1	InChI=1S/C21H20O5/c1-4-24-21(23)14(3)25-17-10-13(2)11-18-20(17)16(12-19(22)26-18)15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3	C21H20O5	352.38	5	0	61.83	3	6	1	0.718100000000001	3.94769	3.22	6.256	47.94	100.203	2.6482	333.125764937207
Cond-005778	NPD5830	NPD5830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1975796958	COc1cc2c(cc1O)c1ccccc1CN(C)C2	InChI=1S/C16H17NO2/c1-17-9-11-5-3-4-6-13(11)14-8-15(18)16(19-2)7-12(14)10-17/h3-8,18H,9-10H2,1-2H3	C16H17NO2	255.312	3	1	32.7	3	1	0	-0.3734	2.75319	2.89	3.007	27.8995	77.057	1.9964	239.181298016756
Cond-005779	NPD5832	NPD5832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.038188068	CCN1C[C@]2(C)CC[C@H](OC(=O)c3ccccc3)[C@]34C1C(CC23)[C@]12C[C@@H]([C@@H](O)CC41)C(=C)[C@H]2OC(=O)c1ccccc1	InChI=1S/C36H41NO5/c1-4-37-20-34(3)16-15-29(41-32(39)22-11-7-5-8-12-22)36-27(34)17-25(30(36)37)35-19-24(26(38)18-28(35)36)21(2)31(35)42-33(40)23-13-9-6-10-14-23/h5-14,24-31,38H,2,4,15-20H2,1,3H3/t24-,25?,26+,27?,28?,29+,30?,31-,34+,35-,36+/m1/s1	C36H41NO5	567.714	6	1	76.07	8	7	0	1.5331	0.79509	4.76	4.604	163.1162	113.5458	7.0081	541.780001029374
Cond-005780	NPD5833	NPD5833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	65.8002542732	CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3	C21H26O2	310.43	2	1	37.3	4	1	0	0.475299999999997	3.82446	3.55	3.659	90.8844	92.4568000000001	2.5355	326.744460937924
Cond-005781	NPD5834	NPD5834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7284456373	COc1ccc(cc1COc1c(cc(Cl)c(C)c1)C(C)C)C1CC(=O)c2c(O1)cccc2	InChI=1S/C27H27ClO4/c1-16(2)21-13-22(28)17(3)11-27(21)31-15-19-12-18(9-10-24(19)30-4)26-14-23(29)20-7-5-6-8-25(20)32-26/h5-13,16,26H,14-15H2,1-4H3	C27H27ClO4	450.954	4	0	44.76	4	6	1	1.3314	7.12960000000001	3.88	6.781	53.9448	131.141	3.4057	417.42959636068
Cond-005782	NPD5835	NPD5835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6548476715	Cc1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C18H18N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3	C18H18N2	262.349	2	2	27.82	4	1	1	0.0179999999999997	3.05122	3.22	5.243	24.664	81.9647000000001	2.109	241.296656673934
Cond-005783	NPD5836	NPD5836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6300795781	Clc1ccc(C2NCCc3c2[nH]c2c3cccc2)c(Cl)c1	InChI=1S/C17H14Cl2N2/c18-10-5-6-13(14(19)9-10)16-17-12(7-8-20-16)11-3-1-2-4-15(11)21-17/h1-6,9,16,20-21H,7-8H2	C17H14Cl2N2	317.212	2	2	27.82	4	1	0	0.8646	4.33	2.89	4.479	30.3931	88.3447	2.2129	254.422807588934
Cond-005784	NPD5837	NPD5837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1410745397	Fc1cc(ccc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C17H15FN2/c18-12-5-3-4-11(10-12)16-17-14(8-9-19-16)13-6-1-2-7-15(13)20-17/h1-7,10,16,19-20H,8-9H2	C17H15FN2	266.313	2	2	27.82	4	1	0	-0.1443	2.76868	3	4.246	20.0344	80.1517	1.9858	230.068230898374
Cond-005785	NPD5838	NPD5838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8261053821	COc1cc2c([nH]c3c2CCNC3c2ccc(Cl)cc2)cc1	InChI=1S/C18H17ClN2O/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11/h2-7,10,17,20-21H,8-9H2,1H3	C18H17ClN2O	312.793	3	2	37.05	4	2	0	0.0684999999999998	4.18599	3	3.728	32.0933	91.9477	2.2901	265.297951144929
Cond-005786	NPD5839	NPD5839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4706879503	COc1cc2c([nH]c3c2CCNC3c2ccccc2O)cc1	InChI=1S/C18H18N2O2/c1-22-11-6-7-15-14(10-11)12-8-9-19-17(18(12)20-15)13-4-2-3-5-16(13)21/h2-7,10,17,19-21H,8-9H2,1H3	C18H18N2O2	294.348	4	3	57.28	4	2	0	-1.1361	3.10799	3	2.88	29.0423	88.9607	2.2264	258.877110075057
Cond-005787	NPD584	NPD584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.693503768	COc1cc2c([nH]c3c2CCNC3c2ccc(OC)c(COc3c(Cl)cc(Cl)cc3)c2)cc1	InChI=1S/C26H24Cl2N2O3/c1-31-18-5-6-22-20(13-18)19-9-10-29-25(26(19)30-22)15-3-7-23(32-2)16(11-15)14-33-24-8-4-17(27)12-21(24)28/h3-8,11-13,25,29-30H,9-10,14H2,1-2H3	C26H24Cl2N2O3	483.386	5	2	55.51	5	6	1	0.618499999999999	7.14378	3.55	5.211	51.356	137.9157	3.4195	405.291514520219
Cond-005788	NPD5840	NPD5840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.9431652305	COc1cc2c([nH]c3c2CCNC3c2ccc(OC)c(COc3c(cc(Cl)c(C)c3)C(C)C)c2)cc1	InChI=1S/C30H33ClN2O3/c1-17(2)23-15-25(31)18(3)12-28(23)36-16-20-13-19(6-9-27(20)35-5)29-30-22(10-11-32-29)24-14-21(34-4)7-8-26(24)33-30/h6-9,12-15,17,29,32-33H,10-11,16H2,1-5H3	C30H33ClN2O3	505.048	5	2	55.51	5	7	1	1.0891	7.64180000000001	4.1	6.416	65.5103	150.6347	3.8607	459.264385253253
Cond-005789	NPD5841	NPD5841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.0750105947	CCOC(=O)c1c(OCc2cc(ccc2OC)C2NCCc3c2[nH]c2c3cc(OCc3ccccc3)cc2)cccc1	InChI=1S/C35H34N2O5/c1-3-40-35(38)28-11-7-8-12-32(28)42-22-25-19-24(13-16-31(25)39-2)33-34-27(17-18-36-33)29-20-26(14-15-30(29)37-34)41-21-23-9-5-4-6-10-23/h4-16,19-20,33,36-37H,3,17-18,21-22H2,1-2H3	C35H34N2O5	562.655	7	2	81.81	6	11	2	-0.699200000000001	6.15668000000001	4.54	8.673	55.4225	165.9517	4.2796	514.311400509275
Cond-005790	NPD5842	NPD5842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.66063945	COc1ccc2[nH]c3c(CCNC3c3ccc(OC)c(COc4ccc(cc4)C(=O)OCC(C)C)c3)c2c1	InChI=1S/C31H34N2O5/c1-19(2)17-38-31(34)20-5-8-23(9-6-20)37-18-22-15-21(7-12-28(22)36-4)29-30-25(13-14-32-29)26-16-24(35-3)10-11-27(26)33-30/h5-12,15-16,19,29,32-33H,13-14,17-18H2,1-4H3	C31H34N2O5	514.612	7	2	81.81	5	10	1	-0.376699999999998	5.56188000000001	4.1	5.655	65.3965	151.6497	3.9536	476.293296809008
Cond-005791	NPD5844	NPD5844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7350849932	CC1(C)[C@@](C)(CCC1(Br)C(=O)O)C(=O)O	InChI=1S/C10H15BrO4/c1-8(2)9(3,6(12)13)4-5-10(8,11)7(14)15/h4-5H2,1-3H3,(H,12,13)(H,14,15)/t9-,10?/m0/s1	C10H15BrO4	279.128	4	2	74.6	1	2	0	1.6287	2.34949	2.01	1.31	56.4052	61.2946	1.7328	218.331454636878
Cond-005792	NPD5845	NPD5845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6325281349	COc1cc2c(cc1OC)C(CN(=O)=O)N(C)CC2	InChI=1S/C13H18N2O4/c1-14-5-4-9-6-12(18-2)13(19-3)7-10(9)11(14)8-15(16)17/h6-7,11H,4-5,8H2,1-3H3	C13H18N2O4	266.293	6	0	64.84	2	4	0	0.6762	1.0274	2.23	1.296	44.2036	71.5780000000001	1.9855	244.399933850845
Cond-005793	NPD5846	NPD5846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.368131092	[C@@H]1(NC(=O)Cc2ccccc2)C(=O)N2C(C(=O)OCC(Cl)(Cl)Cl)C(C)(C)S(=O)[C@H]12	InChI=1S/C18H19Cl3N2O5S/c1-17(2)13(16(26)28-9-18(19,20)21)23-14(25)12(15(23)29(17)27)22-11(24)8-10-6-4-3-5-7-10/h3-7,12-13,15H,8-9H2,1-2H3,(H,22,24)/t12-,13?,15-,29?/m1/s1	C18H19Cl3N2O5S	481.778	7	1	111.99	3	8	0	0.2648	2.80469	2.23	3.251	84.1314	113.3472	3.0848	386.18293494724
Cond-005794	NPD5847	NPD5847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6565899138	CCNC(=O)C12N=CNN=C1N(C)C(=O)N2C	InChI=1S/C9H14N6O2/c1-4-10-7(16)9-6(13-12-5-11-9)14(2)8(17)15(9)3/h5H,4H2,1-3H3,(H,10,16)(H,11,12)	C9H14N6O2	238.246	8	2	89.4	2	3	0	-1.196	-1.20973	1.57	-0.662	57.3182	66.2724	1.7037	212.522582778923
Cond-005795	NPD5848	NPD5848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7396054057	[C@H]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(=O)O	InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12?,14-/m1/s1	C16H18N2O5S	350.39	7	2	121.24	3	6	0	-0.8626	1.43178	2.34	1.988	59.668	92.8995	2.4358	305.957762384207
Cond-005796	NPD5849	NPD5849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7343786787	[Na+].[C@@H]1(NC(=O)/C(=N/OC)/c2csc(N)n2)C(=O)N2C(=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)C(=O)[O-]	InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8+;/t9-,15-;/m1./s1	C18H17N8NaO7S3	576.562	15	4	294.14	4	9	1	-2.2062	-1.52233	1.46	-2.344	113.3112	133.8689	3.4587	436.908271546863
Cond-005797	NPD585	NPD585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0896684784	CC(C)NC(=O)OC[C@@]12COC(C([C@H]1C)C(=CC2C)C)c1cccnc1	InChI=1S/C21H30N2O3/c1-13(2)23-20(24)26-12-21-11-25-19(17-7-6-8-22-10-17)18(16(21)5)14(3)9-15(21)4/h6-10,13,15-16,18-19H,11-12H2,1-5H3,(H,23,24)/t15?,16-,18?,19?,21-/m1/s1	C21H30N2O3	358.474	5	1	60.45	3	6	0	0.5638	3.30528	3.22	3.703	76.2941	102.3637	2.9024	358.984666755619
Cond-005798	NPD5850	NPD5850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4483684136	CC(=O)OCC1OC(OC2C(COC(=O)C)OC(O)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1O	InChI=1S/C24H34O17/c1-9(25)33-7-15-17(31)19(35-11(3)27)22(38-14(6)30)24(40-15)41-18-16(8-34-10(2)26)39-23(32)21(37-13(5)29)20(18)36-12(4)28/h15-24,31-32H,7-8H2,1-6H3	C24H34O17	594.517	17	2	225.95	2	16	2	-1.9857	-1.73851	2.23	-1.368	123.2457	129.1456	4.0129	532.562274024741
Cond-005799	NPD5851	NPD5851	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9398220088	O[C@@H](CNC(=O)c1ccccc1)c1ccccc1	InChI=1S/C15H15NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1-10,14,17H,11H2,(H,16,18)/t14-/m0/s1	C15H15NO2	241.285	3	2	49.33	2	5	0	-1.1339	1.77729	2.78	4.692	18.1162	72.4205	1.9211	231.605313390889
Cond-005800	NPD5852	NPD5852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6607807129	[C@@H]12C3C(CC[N+]3(C)Cc3c1cc1OCOc1c3)C[C@H](OC(=O)C)[C@H]2OC(=O)C	InChI=1S/C21H26NO6/c1-11(23)27-18-6-13-4-5-22(3)9-14-7-16-17(26-10-25-16)8-15(14)19(20(13)22)21(18)28-12(2)24/h7-8,13,18-21H,4-6,9-10H2,1-3H3/q+1/t13?,18-,19-,20?,21+,22?/m0/s1	C21H26NO6+	388.434	7	0	71.06	5	4	0	-2.5793	2.50988	3	1.598	69.1881	102.2294	2.783	350.963898597935
Cond-005801	NPD5853	NPD5853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.7943683194	COc1cc(Cc2nc(N)nc(N)c2)cc(OC)c1OC	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)13(10)21-3)4-9-7-12(15)18-14(16)17-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	C14H18N4O3	290.318	7	4	105.51	2	5	0	-1.334	1.93509	2.23	0.779	35.1462	81.0878	2.1813	258.726294790884
Cond-005802	NPD5854	NPD5854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1375900551	COc1ccc2cc1Oc1ccc(cc1)/C=C\c1c(CCN(C)C)cc(OC)c(Oc3c(/C=C\2)c(CCN(C)C)c(OC)c(OC)c3OC)c1	InChI=1S/C41H48N2O7/c1-42(2)22-20-30-25-35(45-6)37-26-29(30)15-10-27-11-16-31(17-12-27)49-36-24-28(14-19-34(36)44-5)13-18-32-33(21-23-43(3)4)38(46-7)40(47-8)41(48-9)39(32)50-37/h10-19,24-26H,20-23H2,1-9H3/b15-10-,18-13-	C41H48N2O7	680.829	9	0	71.09	4	11	2	1.3384	9.09574999999999	4.98	7.992	107.3652	203.522999999999	5.35100000000001	658.924220366394
Cond-005803	NPD5856	NPD5856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9140179875	[C@@H]12CCC3C(CN4CC(C)CC[C@H]4[C@@]3(C)O)[C@@H]1C[C@H]1C2C/C(=N\NC(=O)N)/[C@H]2CC(O)CCC12C	InChI=1S/C28H46N4O3/c1-15-4-7-25-28(3,35)21-6-5-17-18(20(21)14-32(25)13-15)11-22-19(17)12-24(30-31-26(29)34)23-10-16(33)8-9-27(22,23)2/h15-23,25,33,35H,4-14H2,1-3H3,(H3,29,31,34)/b30-24+/t15?,16?,17-,18-,19?,20?,21?,22+,23-,25+,27?,28+/m1/s1	C28H46N4O3	486.69	7	5	111.18	6	2	0	-2.2616	2.83718000000001	3.77	3.692	124.6054	139.0687	3.8915	483.79007955302
Cond-005804	NPD5857	NPD5857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9691105147	OCc1c(O)ccc(CCN(O)CCCCCCCCN(O)CCc2cc(CO)c(O)cc2)c1	InChI=1S/C26H40N2O6/c29-19-23-17-21(7-9-25(23)31)11-15-27(33)13-5-3-1-2-4-6-14-28(34)16-12-22-8-10-26(32)24(18-22)20-30/h7-10,17-18,29-34H,1-6,11-16,19-20H2	C26H40N2O6	476.606	8	6	127.86	2	17	2	-3.8826	3.76220000000001	3.44	2.868	75.83	133.7466	3.8486	470.655269986636
Cond-005805	NPD5858	NPD5858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.148043509	C[C@@H]1O[C@@H](OC2CC[C@]3(C)C4C(C[C@]5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C37H52O14/c1-18-30(48-20(3)39)31(49-21(4)40)32(50-22(5)41)33(46-18)51-24-8-11-34(6)29-26(9-12-36(34,43)15-24)37(44)13-10-25(23-14-28(42)45-17-23)35(37,7)16-27(29)47-19(2)38/h14,18,24-27,29-33,43-44H,8-13,15-17H2,1-7H3/t18-,24?,25?,26?,27?,29?,30-,31+,32+,33-,34+,35+,36?,37?/m0/s1	C37H52O14	720.8	14	2	190.42	6	11	2	-0.968400000000001	2.98508000000001	3.99	2.598	170.6307	176.9586	5.23410000000001	681.613559256121
Cond-005806	NPD5859	NPD5859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7138013844	CC(C)Cn1cc(C=O)c2c1cccc2C(=O)O	InChI=1S/C14H15NO3/c1-9(2)6-15-7-10(8-16)13-11(14(17)18)4-3-5-12(13)15/h3-5,7-9H,6H2,1-2H3,(H,17,18)	C14H15NO3	245.274	4	1	59.3	2	4	0	0.165500000000001	3.18158	2.56	2.444	35.3912	73.1853000000001	1.8819	225.736014166384
Cond-005807	NPD586	NPD586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1191883464	Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cnccc2)/C1=O	InChI=1S/C22H23N5O3/c1-15-7-9-17(10-8-15)27-21(29)18(20(28)25-22(27)30)14-24-26-12-3-2-6-19(26)16-5-4-11-23-13-16/h4-5,7-11,13-14,19,24H,2-3,6,12H2,1H3,(H,25,28,30)/b18-14-	C22H23N5O3	405.45	8	2	94.64	4	4	0	-1.7915	2.65419	3	3.385	56.7108	112.4794	3.0191	372.832179801185
Cond-005808	NPD5860	NPD5860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4975278994	[C@@H]12CCC([C@H](C)CCC(=O)OC)[C@@]1(C)[C@@H](Br)C(=O)[C@]13O[C@@H]4CC[C@@]1(C)[C@H](CC[C@@H]23)C4	InChI=1S/C25H37BrO4/c1-14(5-10-20(27)29-4)17-8-9-18-19-7-6-15-13-16-11-12-23(15,2)25(19,30-16)22(28)21(26)24(17,18)3/h14-19,21H,5-13H2,1-4H3/t14-,15-,16-,17?,18+,19+,21+,23+,24-,25+/m1/s1	C25H37BrO4	481.463	4	0	52.6	3	5	1	1.3295	5.54229000000001	3.66	5.506	113.1452	121.476	3.4119	428.345389221681
Cond-005809	NPD5861	NPD5861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5282290342	C[C@]12CCC3C(CCC4CCCC[C@]34C)C1CC/C/2=N\C1CCCCC1	InChI=1S/C25H41N/c1-24-16-7-6-8-18(24)11-12-20-21-13-14-23(25(21,2)17-15-22(20)24)26-19-9-4-3-5-10-19/h18-22H,3-17H2,1-2H3/b26-23+/t18?,20?,21?,22?,24-,25-/m0/s1	C25H41N	355.6	1	0	12.36	5	1	1	-0.982899999999997	7.09059000000001	4.1	8.487	95.8244	111.467	3.1449	387.534082350836
Cond-005810	NPD5862	NPD5862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3067288223	[C@@H](NC(=O)OC(C)(C)C)(C(C)CC)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C26H29NO7/c1-6-16(2)22(27-25(30)34-26(3,4)5)24(29)33-18-12-13-19-20(14-18)31-15-21(23(19)28)32-17-10-8-7-9-11-17/h7-16,22H,6H2,1-5H3,(H,27,30)/t16?,22-/m1/s1	C26H29NO7	467.511	8	1	100.16	3	11	2	-0.473899999999998	5.55266000000001	3.44	7.06	72.7256	131.5072	3.5269	445.54644297503
Cond-005811	NPD5863	NPD5863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8003013608	[C@H](CCSC)(NC(=O)COc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2)C(=O)OC	InChI=1S/C24H25NO7S/c1-15-23(32-16-7-5-4-6-8-16)22(27)18-10-9-17(13-20(18)31-15)30-14-21(26)25-19(11-12-33-3)24(28)29-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,25,26)/t19-/m1/s1	C24H25NO7S	471.523	8	1	125.46	3	12	2	-1.2784	4.52356000000001	3.11	5.054	73.3385	130.7062	3.4086	429.463497780897
Cond-005812	NPD5864	NPD5864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4211517634	NCC(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C17H13NO5/c18-9-16(19)23-12-6-7-13-14(8-12)21-10-15(17(13)20)22-11-4-2-1-3-5-11/h1-8,10H,9,18H2	C17H13NO5	311.289	6	2	87.85	3	5	0	-2.1148	3.20786	2.67	3.563	32.548	88.3379	2.1844	274.938586641906
Cond-005813	NPD5865	NPD5865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6060177991	Clc1ccc(cc1)[C@@]12NCCN1C(=O)c1c2cccc1	InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)19(16)10-9-18-16/h1-8,18H,9-10H2/t16-/m1/s1	C16H13ClN2O	284.74	3	1	32.34	4	1	0	-0.2677	2.0494	2.78	3.809	28.0821	79.2897	2.0083	241.605981893195
Cond-005814	NPD5866	NPD5866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.631492207	Fc1ccc(OP(=O)(Oc2ccc(F)cc2)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C23H21F2N2O4P/c24-18-4-8-20(9-5-18)30-32(29,31-21-10-6-19(25)7-11-21)26-13-16-12-17(15-26)22-2-1-3-23(28)27(22)14-16/h1-11,16-17H,12-15H2/t16-,17-/m1/s1	C23H21F2N2O4P	458.394	6	0	68.89	5	5	0	-0.450700000000001	4.57185000000001	3	3.86	65.8424	114.8555	3.0937	388.170481611726
Cond-005815	NPD5868	NPD5868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6067241136	O/N=C/C(=O)Nc1cc2c(oc(=O)cc2)cc1	InChI=1S/C11H8N2O4/c14-10(6-12-16)13-8-2-3-9-7(5-8)1-4-11(15)17-9/h1-6,16H,(H,13,14)/b12-6+	C11H8N2O4	232.192	6	2	87.99	2	3	0	0.0451999999999999	1.56927	2.01	1.886	33.7923	64.2612	1.5747	201.898588496711
Cond-005816	NPD5869	NPD5869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.1894335358	O=Cc1cc2c([nH]1)ccc1c2oc2ccccc12	InChI=1S/C15H9NO2/c17-8-9-7-12-13(16-9)6-5-11-10-3-1-2-4-14(10)18-15(11)12/h1-8,16H	C15H9NO2	235.237	3	1	46	4	1	0	-0.7669	3.29238	2.78	3.545	11.213	76.581	1.6609	182.455937288489
Cond-005817	NPD587	NPD587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8079769163	CN1C(=O)N(C)C(=O)C(CN2CC3C[C@H](C2)c2cccc(=O)n2C3)(Cc2ccc(C)cc2)C1=O	InChI=1S/C26H30N4O4/c1-17-7-9-18(10-8-17)12-26(23(32)27(2)25(34)28(3)24(26)33)16-29-13-19-11-20(15-29)21-5-4-6-22(31)30(21)14-19/h4-10,19-20H,11-16H2,1-3H3/t19?,20-/m1/s1	C26H30N4O4	462.541	8	0	81.24	5	4	0	-0.684599999999997	1.61419	3.44	2.733	103.4917	126.831	3.476	440.989584797047
Cond-005818	NPD5870	NPD5870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8439045063	[C@@H]12CCC3C4CC[C@@H](OS(=O)(=O)c5ccc(C)cc5)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](C2)N=N#N	InChI=1S/C26H37N3O3S/c1-17-4-7-20(8-5-17)33(30,31)32-24-11-10-22-21-9-6-18-16-19(28-29-27)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-5,7-8,18-19,21-24H,6,9-16H2,1-3H3/t18-,19+,21?,22?,23?,24+,25-,26-/m0/s1	C26H37N3O3S	471.655	6	0	64.11	5	4	1	-1.7398	6.25471000000001	3.55	7.826	94.0059	121.273	3.653	450.25745674912
Cond-005819	NPD5871	NPD5871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8037858455	[C@@H]12CCC3C4C[C@H]5O[C@@]5(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2	InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h13,15-18H,4-11H2,1-3H3/t13-,15?,16?,17?,18+,19-,20-,21+/m0/s1	C21H30O3	330.461	3	0	46.67	5	1	0	0.0732999999999998	4.16859	3.44	3.886	89.0694	93.6450000000001	2.6146	331.087605040085
Cond-005820	NPD5872	NPD5872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8738993266	C[C@]12CCC3C(CCC4=C/C(=N\N)/CC[C@]34C)C1CC/C/2=N/N	InChI=1S/C19H30N4/c1-18-9-7-13(22-20)11-12(18)3-4-14-15-5-6-17(23-21)19(15,2)10-8-16(14)18/h11,14-16H,3-10,20-21H2,1-2H3/b22-13-,23-17-/t14?,15?,16?,18-,19-/m0/s1	C19H30N4	314.468	4	4	76.76	4	0	0	-0.0433999999999992	3.40248	3.11	2.394	96.0416	95.4928	2.6215	323.831996519335
Cond-005821	NPD5873	NPD5873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.6869143476	C[C@]12CCC3C(CCC4=C/C(=N\NC(=O)N)/CC[C@]34C)C1CC/C/2=N/NC(=S)N	InChI=1S/C21H32N6OS/c1-20-9-7-13(24-26-18(22)28)11-12(20)3-4-14-15-5-6-17(25-27-19(23)29)21(15,2)10-8-16(14)20/h11,14-16H,3-10H2,1-2H3,(H3,22,26,28)(H3,23,27,29)/b24-13-,25-17-/t14?,15?,16?,20-,21-/m0/s1	C21H32N6OS	416.583	7	6	149.98	4	4	0	0.7913	2.58457	2.89	3.326	113.3495	122.6122	3.2391	402.443819543964
Cond-005822	NPD5874	NPD5874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5460281584	C[C@]12CCC3C(CCC4=C/C(=N\NC(=O)N)/CC[C@]34C)C1CC/C/2=N/NC(=O)N	InChI=1S/C21H32N6O2/c1-20-9-7-13(24-26-18(22)28)11-12(20)3-4-14-15-5-6-17(25-27-19(23)29)21(15,2)10-8-16(14)20/h11,14-16H,3-10H2,1-2H3,(H3,22,26,28)(H3,23,27,29)/b24-13-,25-17-/t14?,15?,16?,20-,21-/m0/s1	C21H32N6O2	400.518	8	6	134.96	4	4	0	-0.1078	2.41967	2.89	2.39	105.3586	115.4102	3.1343	392.725022186925
Cond-005823	NPD5875	NPD5875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8644818006	Cn1c2ccc(/C=C(\NC(=O)c3ccccc3)/C(=O)NCCC(=O)O)cc2c2c1cccc2	InChI=1S/C26H23N3O4/c1-29-22-10-6-5-9-19(22)20-15-17(11-12-23(20)29)16-21(26(33)27-14-13-24(30)31)28-25(32)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,27,33)(H,28,32)(H,30,31)/b21-16-	C26H23N3O4	441.479	7	3	100.43	4	9	1	-1.3265	4.14967	3.55	5.603	49.6047	130.7947	3.31280000000001	399.10344848648
Cond-005824	NPD5876	NPD5876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3618684372	OC(=O)CNC(=O)/C(=C/c1cnccc1)/NC(=O)c1ccccc1	InChI=1S/C17H15N3O4/c21-15(22)11-19-17(24)14(9-12-5-4-8-18-10-12)20-16(23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24)(H,20,23)(H,21,22)/b14-9-	C17H15N3O4	325.319	7	3	108.39	2	8	0	-1.6902	1.10448	2.56	2.739	36.3106	88.9487000000001	2.3909	297.861880357679
Cond-005825	NPD5877	NPD5877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2565334087	Cc1cc(CN2CCc3c(C2)[nH]c2c3cccc2)ccc1	InChI=1S/C19H20N2/c1-14-5-4-6-15(11-14)12-21-10-9-17-16-7-2-3-8-18(16)20-19(17)13-21/h2-8,11,20H,9-10,12-13H2,1H3	C19H20N2	276.375	2	1	19.03	4	2	1	0.5252	3.05322	3.33	5.445	30.2885	86.426	2.2499	258.592641299801
Cond-005826	NPD5878	NPD5878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.5570466638	Clc1ccc(CN2CCc3c(C2)[nH]c2c3cccc2)cc1Cl	InChI=1S/C18H16Cl2N2/c19-15-6-5-12(9-16(15)20)10-22-8-7-14-13-3-1-2-4-17(13)21-18(14)11-22/h1-6,9,21H,7-8,10-11H2	C18H16Cl2N2	331.239	2	1	19.03	4	2	0	1.3718	4.332	3	4.681	36.0176	92.806	2.3538	271.718792214801
Cond-005827	NPD588	NPD588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5823450603	COc1ccc(cc1CSc1ccccn1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C25H23N3O3S/c1-31-21-10-9-15(12-16(21)14-32-22-8-4-5-11-26-22)23-24-18(13-20(28-23)25(29)30)17-6-2-3-7-19(17)27-24/h2-12,20,23,27-28H,13-14H2,1H3,(H,29,30)	C25H23N3O3S	445.533	6	3	112.54	5	6	0	-0.675299999999999	4.00057000000001	3.44	4.894	45.2269	125.4315	3.2541	384.442719918452
Cond-005828	NPD5880	NPD5880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8149456138	CCOc1ccc(CN2CCc3c(C2)[nH]c2c3cccc2)cc1	InChI=1S/C20H22N2O/c1-2-23-16-9-7-15(8-10-16)13-22-12-11-18-17-5-3-4-6-19(17)21-20(18)14-22/h3-10,21H,2,11-14H2,1H3	C20H22N2O	306.401	3	1	28.26	4	4	0	0.0817999999999998	3.86998	3.33	4.468	36.396	95.7500000000001	2.4495	284.678852626229
Cond-005829	NPD5881	NPD5881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5359043179	COc1ccc(/C=C/C(=O)c2c3CCCCc3c(C)[nH]c2=O)cc1	InChI=1S/C20H21NO3/c1-13-16-5-3-4-6-17(16)19(20(23)21-13)18(22)12-9-14-7-10-15(24-2)11-8-14/h7-12H,3-6H2,1-2H3,(H,21,23)/b12-9+	C20H21NO3	323.386	4	1	55.4	3	4	0	-0.699	3.45546	3.22	3.953	67.9379	95.0127	2.5327	322.782545819185
Cond-005830	NPD5882	NPD5882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.099919951	CCCCc1c(CC2=[NH+]/C(=C/c3c(C)c(C)c[nH]3)/C(=C2CCCC)C)[nH]c(/C=C\2/[NH+]=CC(=C2C)C)c1C	InChI=1S/C33H44N4/c1-9-11-13-26-24(7)30(15-28-22(5)20(3)18-34-28)36-32(26)17-33-27(14-12-10-2)25(8)31(37-33)16-29-23(6)21(4)19-35-29/h15-16,18-19,34,37H,9-14,17H2,1-8H3/p+2/b29-16+,30-15+	C33H46N4++	498.745	4	4	59.52	4	10	1	-0.980800000000006	7.74280000000001	4.65	7.97	121.1399	161.6714	4.3361	528.35702907667
Cond-005831	NPD5883	NPD5883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.274332533	CCCCc1c(CC2=[NH+]/C(=C\c3ccc[nH]3)/C(=C2CCCC)C)[nH]c(/C=C\2/C=CC=[NH+]2)c1C	InChI=1S/C29H36N4/c1-5-7-13-24-20(3)26(17-22-11-9-15-30-22)32-28(24)19-29-25(14-8-6-2)21(4)27(33-29)18-23-12-10-16-31-23/h9-12,15-18,30,33H,5-8,13-14,19H2,1-4H3/p+2/b23-18-,26-17-	C29H38N4++	442.639	4	4	59.52	4	10	1	-3.2643	4.82056000000001	4.21	7.384	101.4966	141.6484	3.7725	459.173090573203
Cond-005832	NPD5884	NPD5884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.748222442	CCc1c(CC2=[NH+]/C(=C/c3c(C)c(C)c(Br)[nH]3)/C(=C2CC)C)[nH]c(/C=C/2\[NH+]=C(Br)C(=C2C)C)c1C	InChI=1S/C29H34Br2N4/c1-9-20-18(7)24(11-22-14(3)16(5)28(30)34-22)32-26(20)13-27-21(10-2)19(8)25(33-27)12-23-15(4)17(6)29(31)35-23/h11-12,32,35H,9-10,13H2,1-8H3/p+2/b22-11-,25-12+	C29H36Br2N4++	600.431	4	4	59.52	4	6	1	1.9663	5.17631000000001	3.99	7.266	124.9679	154.2234	4.1225	497.740328528336
Cond-005833	NPD5885	NPD5885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2223477892	O=c1[nH]cnc2c1Cc1c(nc[nH]c1=O)O2	InChI=1S/C9H6N4O3/c14-6-4-1-5-7(15)11-3-13-9(5)16-8(4)12-2-10-6/h2-3H,1H2,(H,10,12,14)(H,11,13,15)	C9H6N4O3	218.169	7	2	92.15	3	0	0	-0.4729	-0.86994	1.68	-1.872	50.4837	56.5414	1.3682	181.68991296075
Cond-005834	NPD5886	NPD5886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9433064934	C(O)C(O)C(O)C(O)C(O)C(=O)N/N=C/c1c(O)cccc1	InChI=1S/C13H18N2O7/c16-6-9(18)10(19)11(20)12(21)13(22)15-14-5-7-3-1-2-4-8(7)17/h1-5,9-12,16-21H,6H2,(H,15,22)/b14-5+	C13H18N2O7	314.291	9	7	162.84	1	8	1	-3.7275	-2.59022	1.9	-1.405	48.6088	79.0145000000001	2.2272	280.490613952528
Cond-005835	NPD5887	NPD5887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2942035127	C12CCC3C4CCC(C(C)CC=C(c5ccccc5)c5ccccc5)[C@@]4(C)CC(=O)[C@]43O[C@H](CC[C@@]14C)C2	InChI=1S/C36H44O2/c1-24(14-16-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26)30-18-19-31-32-17-15-27-22-28-20-21-35(27,3)36(32,38-28)33(37)23-34(30,31)2/h4-13,16,24,27-28,30-32H,14-15,17-23H2,1-3H3/t24?,27?,28-,30?,31?,32?,34-,35+,36+/m1/s1	C36H44O2	508.733	2	0	26.3	5	5	1	0.6656	8.55498	5.2	13.422	98.747	155.646	4.1942	519.405478121125
Cond-005836	NPD5888	NPD5888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.4598577954	[C@@H]12CCC3C4CCC(O)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC1CCCCO1	InChI=1S/C24H40O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h16-22,25H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,21?,22?,23-,24-/m0/s1	C24H40O3	376.573	3	1	38.69	5	2	1	-0.899100000000001	5.30180000000001	3.77	6.274	96.0327	106.1978	3.1233	388.248476319286
Cond-005837	NPD5889	NPD5889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2453736403	CC(C)NC(=O)C1CC[C@@](C)(C(=O)O)C1(C)C	InChI=1S/C13H23NO3/c1-8(2)14-10(15)9-6-7-13(5,11(16)17)12(9,3)4/h8-9H,6-7H2,1-5H3,(H,14,15)(H,16,17)/t9?,13-/m0/s1	C13H23NO3	241.327	4	2	66.4	1	4	0	0.537299999999998	2.27199	2.45	1.882	64.5422	68.7695000000001	2.0216	253.142323044517
Cond-005838	NPD589	NPD589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8300144014	COc1c(COc2ccc(NC(=O)C)cc2)cc(/C=N/NC(=O)CN2CCCCC2c2cnccc2)cc1	InChI=1S/C29H33N5O4/c1-21(35)32-25-9-11-26(12-10-25)38-20-24-16-22(8-13-28(24)37-2)17-31-33-29(36)19-34-15-4-3-7-27(34)23-6-5-14-30-18-23/h5-6,8-14,16-18,27H,3-4,7,15,19-20H2,1-2H3,(H,32,35)(H,33,36)/b31-17+	C29H33N5O4	515.603	9	2	105.15	4	12	1	-2.5796	5.01378000000001	3.66	4.944	65.8104	150.4894	3.9781	486.521381481214
Cond-005839	NPD5890	NPD5890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0723736874	[C@H]12CC[C@]3(C)C(CCC3(O)C1CCC1(O)CC(O)CC[C@]21/C=N/Cc1ccccc1)C1=CC(=O)OC1	InChI=1S/C30H39NO5/c1-27-11-8-24-25(30(27,35)14-10-23(27)21-15-26(33)36-18-21)9-13-29(34)16-22(32)7-12-28(24,29)19-31-17-20-5-3-2-4-6-20/h2-6,15,19,22-25,32,34-35H,7-14,16-18H2,1H3/b31-19+/t22?,23?,24-,25?,27+,28-,29?,30?/m0/s1	C30H39NO5	493.634	6	3	99.35	6	4	0	-1.3604	3.79088000000001	4.1	4.233	108.0531	138.3664	3.8193	481.526386778175
Cond-005840	NPD5892	NPD5892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1135282761	CC(C)(C)c1ccc(cc1)S(=O)(=O)CCN1CCCCC1c1cnccc1	InChI=1S/C22H30N2O2S/c1-22(2,3)19-9-11-20(12-10-19)27(25,26)16-15-24-14-5-4-8-21(24)18-7-6-13-23-17-18/h6-7,9-13,17,21H,4-5,8,14-16H2,1-3H3	C22H30N2O2S	386.551	4	0	58.65	3	6	1	0.2646	4.55279000000001	3.33	5.727	56.9357	104.515	3.1051	372.462990037725
Cond-005841	NPD5893	NPD5893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.099919951	COC1(C[C@@]21CC2(C)C(=O)O)c1ccccc1	InChI=1S/C14H16O3/c1-12(11(15)16)8-13(12)9-14(13,17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)/t12?,13-,14?/m0/s1	C14H16O3	232.275	3	1	46.53	3	3	0	0.103299999999999	2.30579	2.67	3.07	36.9368	65.0038	1.7595	218.555712659017
Cond-005842	NPD5894	NPD5894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9492395348	[C@@H]12CCC(C(C)CCCC(C)C)[C@@]1(C)CC[C@H]1C2CC[C@H]2CC(=CC[C@]12C)OC(=O)C	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20?,22-,24?,25?,26-,27-,28-,29+/m0/s1	C29H48O2	428.69	2	0	26.3	4	7	1	2.42259999999999	8.32468000000001	4.43	12.074	125.2946	131.275	3.7917	473.021714047259
Cond-005843	NPD5895	NPD5895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8456467486	[C@@H](Cc1c[nH+]c[nH]1)(NC(=O)CNC(=O)N)C(=O)[O-]	InChI=1S/C9H13N5O4/c10-9(18)12-3-7(15)14-6(8(16)17)1-5-2-11-4-13-5/h2,4,6H,1,3H2,(H,11,13)(H,14,15)(H,16,17)(H3,10,12,18)/t6-/m0/s1	C9H13N5O4	255.231	9	6	154.28	1	8	0	-4.1477	-6.12791	1.46	-2.991	37.9622	59.2948	1.7869	217.926275971878
Cond-005844	NPD5896	NPD5896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.506615812	OC[C@H]1O[C@H](O)[C@H](NC(=O)CCCN2C(=O)c3c(cccc3)C2=O)[C@@H](O)[C@@H]1O	InChI=1S/C18H22N2O8/c21-8-11-14(23)15(24)13(18(27)28-11)19-12(22)6-3-7-20-16(25)9-4-1-2-5-10(9)17(20)26/h1-2,4-5,11,13-15,18,21,23-24,27H,3,6-8H2,(H,19,22)/t11-,13-,14-,15-,18+/m1/s1	C18H22N2O8	394.376	10	5	156.63	3	7	0	-3.6878	-1.78721	2.34	0.0640000000000002	65.3563	96.1959000000001	2.7302	348.411387680024
Cond-005845	NPD5897	NPD5897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.1416395913	CC1CC2(CCCCCC2)Nc2c(C)cccc12	InChI=1S/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3	C17H25N	243.387	1	1	12.03	3	0	1	-0.508300000000001	5.38152	3.22	5.573	45.0558	77.6787	2.1489	257.706205343901
Cond-005846	NPD5898	NPD5898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.717285869	OC(CNC(=O)/C(=C\c1ccco1)/NC(=O)c1ccccc1)CNC(=O)/C(=C\c1ccco1)/NC(=O)c1ccccc1	InChI=1S/C31H28N4O7/c36-23(19-32-30(39)26(17-24-13-7-15-41-24)34-28(37)21-9-3-1-4-10-21)20-33-31(40)27(18-25-14-8-16-42-25)35-29(38)22-11-5-2-6-12-22/h1-18,23,36H,19-20H2,(H,32,39)(H,33,40)(H,34,37)(H,35,38)/b26-17+,27-18+	C31H28N4O7	568.577	11	5	162.91	4	16	2	-3.2929	2.31087	3.66	5.844	67.6837	154.1101	4.16420000000001	515.041435823264
Cond-005847	NPD5899	NPD5899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.0800018835	COc1cccc(c1)C1=CC(=O)C=CC1=O	InChI=1S/C13H10O3/c1-16-11-4-2-3-9(7-11)12-8-10(14)5-6-13(12)15/h2-8H,1H3	C13H10O3	214.217	3	0	43.37	2	2	0	-0.159500000000001	1.76397	2.56	1.833	37.1996	62.036	1.5982	205.70681063155
Cond-005848	NPD59	NPD59	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.1188118812	CCOC(=O)C(C)Oc1cc2c(cc1)c(=O)c(co2)c1cc2c(o1)cccc2	InChI=1S/C22H18O6/c1-3-25-22(24)13(2)27-15-8-9-16-19(11-15)26-12-17(21(16)23)20-10-14-6-4-5-7-18(14)28-20/h4-13H,3H2,1-2H3	C22H18O6	378.375	6	0	74.97	4	6	0	-0.8191	4.59196	3.22	4.847	44.0472	108.498	2.6962	333.319058862035
Cond-005849	NPD590	NPD590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.8961691438	COc1ccc(cc1)c1c/c(=N\c2cc(C)cc(C)c2)/c2c(o1)cccc2	InChI=1S/C24H21NO2/c1-16-12-17(2)14-19(13-16)25-22-15-24(18-8-10-20(26-3)11-9-18)27-23-7-5-4-6-21(22)23/h4-15H,1-3H3/b25-22+	C24H21NO2	355.429	3	0	30.82	4	3	1	0.8868	5.52131	3.77	7.789	36.1134	109.774	2.8	341.110422818891
Cond-005850	NPD5900	NPD5900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.454301455	COc1ccc(/C=C\2/C(=O)OC(=O)c3c2cccc3)cc1	InChI=1S/C17H12O4/c1-20-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(18)21-17(15)19/h2-10H,1H3/b15-10+	C17H12O4	280.275	4	0	52.6	3	2	0	0.00579999999999971	2.60958	2.89	4.84	27.6475	78.897	2.0259	255.151599733178
Cond-005851	NPD5901	NPD5901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4902293168	OC(=O)c1c(cccc1)c1cc2c(cccc2)c(=O)o1	InChI=1S/C16H10O4/c17-15(18)13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)16(19)20-14/h1-9H,(H,17,18)	C16H10O4	266.248	4	1	63.6	3	2	1	-0.3099	2.91279	2.78	5.078	23.1573	75.3593	1.885	237.855615107312
Cond-005852	NPD5902	NPD5902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	9.7942270566	Oc1ccc(/C=C/2\N=C(OC2=O)c2ccccc2)cc1	InChI=1S/C16H11NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-10,18H/b14-10-	C16H11NO3	265.263	4	1	58.89	3	2	0	-0.4957	2.78788	2.78	4.573	24.7012	77.3358	1.9261	240.062148614917
Cond-005853	NPD5904	NPD5904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7198341894	CC1(C)c2ccccc2N2CC(=O)N(CC=C)[C@]12C	InChI=1S/C16H20N2O/c1-5-10-17-14(19)11-18-13-9-7-6-8-12(13)15(2,3)16(17,18)4/h5-9H,1,10-11H2,2-4H3/t16-/m0/s1	C16H20N2O	256.343	3	0	23.55	3	2	0	0.8812	3.21577	2.89	3.445	51.5849	80.5260000000001	2.0805	254.924290225162
Cond-005854	NPD5905	NPD5905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8096782914	CCN1C(=O)CN2c3ccc(C)cc3C(C)(C)[C@]12C	InChI=1S/C16H22N2O/c1-6-17-14(19)10-18-13-8-7-11(2)9-12(13)15(3,4)16(17,18)5/h7-9H,6,10H2,1-5H3/t16-/m1/s1	C16H22N2O	258.359	3	0	23.55	3	1	0	1.1568	3.1515	2.89	3.576	52.2181	79.9130000000001	2.1235	257.560748925962
Cond-005855	NPD5906	NPD5906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8727584032	COc1ccc(cc1)C1CC(=O)N(c2ccc(cc2)C(=O)O)C2=C1C(=O)CCC2	InChI=1S/C23H21NO5/c1-29-17-11-7-14(8-12-17)18-13-21(26)24(19-3-2-4-20(25)22(18)19)16-9-5-15(6-10-16)23(27)28/h5-12,18H,2-4,13H2,1H3,(H,27,28)	C23H21NO5	391.417	6	1	83.91	4	4	0	-1.4585	3.81558	3.33	3.095	55.9903	109.8748	2.8782	363.721576995507
Cond-005856	NPD5907	NPD5907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6209786429	Cn1c2c(n(CCN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cn2)c(=O)n(C)c1=O	InChI=1S/C20H24N6O3/c1-22-18-17(19(28)23(2)20(22)29)25(12-21-18)7-6-24-9-13-8-14(11-24)15-4-3-5-16(27)26(15)10-13/h3-5,12-14H,6-11H2,1-2H3/t13-,14-/m0/s1	C20H24N6O3	396.443	9	0	81.99	5	3	0	-1.2647	1.65555	2.67	-0.847	93.4368	109.8775	2.8575	355.689888159219
Cond-005857	NPD5908	NPD5908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.018022889	O=C(NCCCCCCNC(=O)/C(=C/NC(=O)c1ccccc1)/c1ccc2OCOc2c1)/C(=C/c1cc2c(OCO2)cc1)/NC(=O)c1ccccc1	InChI=1S/C40H38N4O8/c45-37(28-11-5-3-6-12-28)43-24-31(30-16-18-34-36(23-30)52-26-50-34)39(47)41-19-9-1-2-10-20-42-40(48)32(44-38(46)29-13-7-4-8-14-29)21-27-15-17-33-35(22-27)51-25-49-33/h3-8,11-18,21-24H,1-2,9-10,19-20,25-26H2,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/b31-24+,32-21-	C40H38N4O8	702.752	12	4	153.32	6	19	2	-4.5012	5.78335	4.54	8.418	83.7675	198.4073	5.18780000000001	649.509689353422
Cond-005858	NPD5909	NPD5909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0983148599	[C@@H]12CC=CC[C@@H]1C(=O)N(CCCc1c[nH]c3c1cccc3)C2=O	InChI=1S/C19H20N2O2/c22-18-15-8-1-2-9-16(15)19(23)21(18)11-5-6-13-12-20-17-10-4-3-7-14(13)17/h1-4,7,10,12,15-16,20H,5-6,8-9,11H2/t15-,16+	C19H20N2O2	308.374	4	1	53.17	4	4	0	-1.0895	3.13507	3.11	2.685	55.4648	93.14	2.3673	287.073094700923
Cond-005859	NPD591	NPD591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4108081061	COc1c(CSc2nc3c([nH]2)cccc3)cc(cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C26H24N4OS/c1-31-23-11-10-16(14-17(23)15-32-26-29-21-8-4-5-9-22(21)30-26)24-25-19(12-13-27-24)18-6-2-3-7-20(18)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3,(H,29,30)	C26H24N4OS	440.56	5	3	91.03	6	5	1	-0.494	5.69017000000001	3.66	5.737	42.2834	134.3507	3.2688	371.898552650564
Cond-005860	NPD5910	NPD5910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5674506623	CC(C)CCCCCCOc1ccc(cc1)C1CC(=NC1=O)O	InChI=1S/C19H27NO3/c1-14(2)7-5-3-4-6-12-23-16-10-8-15(9-11-16)17-13-18(21)20-19(17)22/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21,22)	C19H27NO3	317.423	4	1	58.89	2	9	1	-1.4272	4.77388000000001	3.11	5.523	58.086	96.3468000000001	2.6294	325.752395996518
Cond-005861	NPD5911	NPD5911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6209786429	COc1ccc(cc1)[C@]1(C)NC(=O)NC1=O	InChI=1S/C11H12N2O3/c1-11(9(14)12-10(15)13-11)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H2,12,13,14,15)/t11-/m0/s1	C11H12N2O3	220.225	5	2	67.43	2	2	0	-0.6484	0.00668999999999992	2.12	1.155	30.2354	59.0964	1.602	198.38127919775
Cond-005862	NPD5912	NPD5912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.02757502	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@]2(C)CC(C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)/O2	InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18?,19-,20+,21-,22-,23-,24+,25-,26?,27-,28+,29-,30-,31-,34?,35+,36+,37-/m1/s1	C37H66N2O12	730.926	14	4	178.2	4	7	1	-2.07690000000001	2.53688000000001	3.99	2.307	180.9681	191.9082	5.70550000000002	721.285378476131
Cond-005863	NPD5913	NPD5913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.12751194	[C@@H]1(N)C(=O)N2C(=C(CSc3nnc(C)s3)CS[C@H]12)C(=O)O	InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1	C11H12N4O3S3	344.433	7	3	188.25	3	4	0	0.0223000000000007	0.29239	1.57	-2.236	72.513	79.9342	2.1835	263.545413086084
Cond-005864	NPD5914	NPD5914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.172569163	[C@@H]1(N)C(=O)N2C(=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)C(=O)O	InChI=1S/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)/t5-,10-/m1/s1	C12H13N5O5S2	371.392	10	4	196	3	4	0	-1.88	-1.68002	1.46	-3.42	85.4002	89.5079	2.3351	299.17312856284
Cond-005865	NPD5916	NPD5916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.566369289	[Na+].[C@H]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C(=O)[O-]	InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12?,15-;/m1./s1	C17H19N2NaO6S	402.397	8	1	133.3	3	6	0	-1.2881	-0.15171	2.34	0.707	65.8407	95.1422	2.6139	330.725744360235
Cond-005866	NPD5917	NPD5917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0213571235	CC(O)Cn1c2c(cccc2)c2c1cccc2	InChI=1S/C15H15NO/c1-11(17)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,17H,10H2,1H3	C15H15NO	225.286	2	1	25.16	3	2	0	-0.4346	3.58049	2.89	4.068	19.4714	72.1658	1.7968	202.195086690328
Cond-005867	NPD5918	NPD5918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8760926376	C/C(=C/C(=O)O)/C=C/c1cc2c(OCO2)cc1	InChI=1S/C13H12O4/c1-9(6-13(14)15)2-3-10-4-5-11-12(7-10)17-8-16-11/h2-7H,8H2,1H3,(H,14,15)/b3-2+,9-6-	C13H12O4	232.232	4	1	55.76	2	3	0	0.7328	2.93756	2.45	2.763	39.5355	66.9638	1.6999	217.133496032911
Cond-005868	NPD5919	NPD5919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9853113454	CCC(C[N+](C)(C)C)C(=O)/C=C/c1ccccc1	InChI=1S/C16H24NO/c1-5-15(13-17(2,3)4)16(18)12-11-14-9-7-6-8-10-14/h6-12,15H,5,13H2,1-4H3/q+1/b12-11+	C16H24NO+	246.368	2	0	17.07	1	6	0	-1.4095	3.05248	3	4.52	49.8237	79.3444000000001	2.2194	269.958676768995
Cond-005869	NPD592	NPD592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2864329043	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(/C=N/N1CCN(C)CC1)c2O	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	C43H58N4O12	822.94	16	6	220.15	4	5	2	-1.1263	4.99357000000001	4.43	1.964	181.6868	226.561399999999	6.21190000000002	786.533760938865
Cond-005870	NPD5920	NPD5920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1040821844	[Na+].[Na+].C/C(=C/C(=C\c1ccco1)/C(=O)[O-])/C(=O)[O-]	InChI=1S/C11H10O5.2Na/c1-7(10(12)13)5-8(11(14)15)6-9-3-2-4-16-9;;/h2-6H,1H3,(H,12,13)(H,14,15);;/q;2*+1/p-2/b7-5-,8-6+;;	C11H8Na2O5	266.158	5	0	93.4	1	4	0	-0.8029	-1.94993	2.12	0.272	35.2012	52.367	1.5424	201.051753481739
Cond-005871	NPD5921	NPD5921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2395241957	CN1C(=O)[C@@](O)(CC(=O)C)c2c1cccc2	InChI=1S/C12H13NO3/c1-8(14)7-12(16)9-5-3-4-6-10(9)13(2)11(12)15/h3-6,16H,7H2,1-2H3/t12-/m1/s1	C12H13NO3	219.237	4	1	57.61	2	2	0	-1.4968	1.30429	2.34	1.29	33.3254	62.2018	1.6431	204.68050361545
Cond-005872	NPD5922	NPD5922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.2229431378	CC(=O)/C=C\c1cn(C(=O)C)c2c1cccc2	InChI=1S/C14H13NO2/c1-10(16)7-8-12-9-15(11(2)17)14-6-4-3-5-13(12)14/h3-9H,1-2H3/b8-7-	C14H13NO2	227.259	3	0	39.07	2	3	0	-0.5177	3.35997	2.67	2.582	33.8798	71.1755	1.7802	214.309328765023
Cond-005873	NPD5923	NPD5923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6633324322	COc1cc(OC)c(/C=C(/C(=O)O)\C(=C\C(=O)O)\C)cc1	InChI=1S/C15H16O6/c1-9(6-14(16)17)12(15(18)19)7-10-4-5-11(20-2)8-13(10)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)/b9-6+,12-7+	C15H16O6	292.284	6	2	93.06	1	6	0	0.4965	2.18007	2.45	1.947	52.6942	78.4626000000001	2.1647	279.025918685767
Cond-005874	NPD5924	NPD5924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4470577634	CCCCC1=NCCc2c1[nH]c1c2cccc1	InChI=1S/C15H18N2/c1-2-3-7-14-15-12(9-10-16-14)11-6-4-5-8-13(11)17-15/h4-6,8,17H,2-3,7,9-10H2,1H3	C15H18N2	226.317	2	1	28.15	3	3	0	-0.972899999999999	3.52428	2.89	3.776	35.1514	75.22	1.8809	217.938078898734
Cond-005875	NPD5925	NPD5925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.9235829503	CCC1=NCCc2c1[nH]c1c2cc(OC)cc1	InChI=1S/C14H16N2O/c1-3-12-14-10(6-7-15-12)11-8-9(17-2)4-5-13(11)16-14/h4-5,8,16H,3,6-7H2,1-2H3	C14H16N2O	228.29	3	1	37.38	3	2	0	-0.448699999999999	2.75268	2.67	1.983	36.644	72.538	1.7987	209.432320973428
Cond-005876	NPD5926	NPD5926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2668288727	CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(C[C@]12C)OC(=O)C	InChI=1S/C25H29FO6/c1-14(27)31-13-21(30)20-8-7-18-19-6-5-16-11-17(29)9-10-24(16,4)25(19,26)22(32-15(2)28)12-23(18,20)3/h8-11,18-19,22H,5-7,12-13H2,1-4H3/t18?,19?,22?,23-,24-,25-/m0/s1	C25H29FO6	444.493	6	0	86.74	4	6	0	0.698199999999998	3.60896	3.44	2.732	115.2939	115.441	3.2656	431.883947692342
Cond-005877	NPD5928	NPD5928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.4442642156	CC(=O)n1c2c(cccc2)c2c1cc1ccccc1n2	InChI=1S/C17H12N2O/c1-11(20)19-15-9-5-3-7-13(15)17-16(19)10-12-6-2-4-8-14(12)18-17/h2-10H,1H3	C17H12N2O	260.29	3	0	34.89	4	1	0	-0.6249	4.78157	3	4.512	12.8659	86.149	1.9408	216.617981347028
Cond-005878	NPD5929	NPD5929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.0491123727	CC(=O)n1c2c(cccc2)c2c1cc1cc(Cl)ccc1n2	InChI=1S/C17H11ClN2O/c1-10(21)20-15-5-3-2-4-13(15)17-16(20)9-11-8-12(18)6-7-14(11)19-17/h2-9H,1H3	C17H11ClN2O	294.735	3	0	34.89	4	1	0	0.1194	5.43497	2.89	4.397	18.4815	91.159	2.0632	231.829049117462
Cond-005879	NPD593	NPD593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1815000473	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)cc1	InChI=1S/C33H43NO8/c1-31-14-11-23(36)17-21(31)5-8-24-25-12-15-33(41,32(25,2)18-26(37)30(24)31)27(38)19-42-29(40)10-9-28(39)34-16-13-20-3-6-22(35)7-4-20/h3-4,6-7,17,24-26,30,35,37,41H,5,8-16,18-19H2,1-2H3,(H,34,39)/t24?,25?,26?,30?,31-,32-,33-/m0/s1	C33H43NO8	581.696	9	4	150.23	5	11	1	-1.5107	3.33728000000001	4.1	1.694	128.3623	156.0431	4.4407	566.868562056657
Cond-005880	NPD5930	NPD5930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1666216094	COC(=O)NCCc1c[nH]c2c1cc(OC)cc2	InChI=1S/C13H16N2O3/c1-17-10-3-4-12-11(7-10)9(8-15-12)5-6-14-13(16)18-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	C13H16N2O3	248.278	5	2	63.35	2	6	0	-0.1867	1.59628	2.34	1.513	34.2693	73.2897	1.8838	222.073248449484
Cond-005881	NPD5931	NPD5931	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0505542038	[C@H](CCCNC(=N)N)(NC(O)CNC(=O)c1ccccc1)C(=O)O	InChI=1S/C15H23N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11-12,20-21H,4,7-9H2,(H,19,22)(H,23,24)(H4,16,17,18)/t11-,12?/m1/s1	C15H23N5O4	337.374	9	8	160.56	1	12	2	-2.8025	-0.72524	2.12	-0.823	53.473	91.7353000000001	2.5893	319.065725026279
Cond-005882	NPD5932	NPD5932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2575470848	[NH3+]C(C(O)c1cccc(c1)N(=O)=O)C(=O)[O-]	InChI=1S/C9H10N2O5/c10-7(9(13)14)8(12)5-2-1-3-6(4-5)11(15)16/h1-4,7-8,12H,10H2,(H,13,14)	C9H10N2O5	226.186	7	4	131.14	1	4	0	-2.3692	-2.25961	1.68	0.462	18.1168	54.0779	1.5462	193.726222047939
Cond-005883	NPD5933	NPD5933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0587546184	[C@H](NC(=O)CCCCCCCCCCCCC)(C(=O)OCC)[C@@H](OC(=O)CCCCCCCCCCCCC)c1ccccc1	InChI=1S/C39H67NO5/c1-4-7-9-11-13-15-17-19-21-23-28-32-35(41)40-37(39(43)44-6-3)38(34-30-26-25-27-31-34)45-36(42)33-29-24-22-20-18-16-14-12-10-8-5-2/h25-27,30-31,37-38H,4-24,28-29,32-33H2,1-3H3,(H,40,41)/t37-,38+/m1/s1	C39H67NO5	629.953	6	1	81.7	1	33	2	-6.8356	10.61379	5.09	15.939	121.6871	188.459699999999	5.63040000000001	698.972541914972
Cond-005884	NPD5934	NPD5934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8880778589	[C@H](NC(=O)Cc1ccc(cc1)N(CCCl)CCCl)(C(=O)OCC)[C@@H](OC(=O)CCCCCCCCCCCCC)c1ccccc1	InChI=1S/C37H54Cl2N2O5/c1-3-5-6-7-8-9-10-11-12-13-17-20-34(43)46-36(31-18-15-14-16-19-31)35(37(44)45-4-2)40-33(42)29-30-21-23-32(24-22-30)41(27-25-38)28-26-39/h14-16,18-19,21-24,35-36H,3-13,17,20,25-29H2,1-2H3,(H,40,42)/t35-,36+/m1/s1	C37H54Cl2N2O5	677.741	7	1	84.94	2	28	2	-2.1707	8.43939000000001	4.54	12.661	116.7388	191.1807	5.45560000000001	674.633633609072
Cond-005885	NPD5935	NPD5935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3834369649	[Na+].[C@H](O)(c1ccccc1)[C@@H](/N=C/c1ccccc1O)C(=O)[O-]	InChI=1S/C16H15NO4.Na/c18-13-9-5-4-8-12(13)10-17-14(16(20)21)15(19)11-6-2-1-3-7-11;/h1-10,14-15,18-19H,(H,20,21);/q;+1/p-1/b17-10+;/t14-,15+;/m1./s1	C16H14NNaO4	307.276	5	2	92.95	2	5	0	-2.0799	0.453680000000002	2.67	2.905	24.3424	79.1776	2.1149	262.527063366678
Cond-005886	NPD5936	NPD5936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3479318735	[C@H](NC(=O)C)(C(=O)OC)[C@@H](OC)c1c(cccc1)N(=O)=O	InChI=1S/C13H16N2O6/c1-8(16)14-11(13(17)21-3)12(20-2)9-6-4-5-7-10(9)15(18)19/h4-7,11-12H,1-3H3,(H,14,16)/t11-,12+/m1/s1	C13H16N2O6	296.276	8	1	107.77	1	8	0	-0.2129	1.32839	2.01	1.736	42.7808	78.1807	2.1255	269.063928551167
Cond-005887	NPD5937	NPD5937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9784626476	CN(C)CCCC(=O)c1cc2c(OCO2)cc1	InChI=1S/C13H17NO3/c1-14(2)7-3-4-11(15)10-5-6-12-13(8-10)17-9-16-12/h5-6,8H,3-4,7,9H2,1-2H3	C13H17NO3	235.279	4	0	38.77	2	5	0	-0.5903	2.40898	2.45	1.378	39.2825	69.766	1.827	224.612946942117
Cond-005888	NPD5938	NPD5938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9246643237	CNCCOc1c(CC=C)ccc2c1OCCO2	InChI=1S/C14H19NO3/c1-3-4-11-5-6-12-14(18-10-9-16-12)13(11)17-8-7-15-2/h3,5-6,15H,1,4,7-10H2,2H3	C14H19NO3	249.306	4	1	39.72	2	6	0	0.294700000000001	2.71227	2.56	1.752	47.6046	74.6067	1.9679	241.908931567984
Cond-005889	NPD594	NPD594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5641728932	CCCc1nn(C)c2c1nc([nH]c2=O)c1c(OCC)ccc(c1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C28H32N6O5S/c1-4-7-21-25-26(32(3)31-21)28(36)30-27(29-25)20-13-19(10-11-23(20)39-5-2)40(37,38)33-14-17-12-18(16-33)22-8-6-9-24(35)34(22)15-17/h6,8-11,13,17-18H,4-5,7,12,14-16H2,1-3H3,(H,29,30,36)/t17-,18+/m1/s1	C28H32N6O5S	564.656	11	1	134.58	6	7	0	-1.9713	3.91953000000001	3.22	1.549	110.187	150.0852	4.028	498.981407821675
Cond-005890	NPD5940	NPD5940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7455168063	NCC(O)COc1cccc2c1OCCO2	InChI=1S/C11H15NO4/c12-6-8(13)7-16-10-3-1-2-9-11(10)15-5-4-14-9/h1-3,8,13H,4-7,12H2	C11H15NO4	225.241	5	3	73.94	2	4	0	-1.6765	0.656990000000001	2.12	-0.194	33.8907	60.0492	1.6469	201.447663091745
Cond-005891	NPD5941	NPD5941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1406686492	COc1ccc(CCN2C(=O)N(C(C)C)C(N(O)C(=O)NC(C)C)C2(C)C)cc1	InChI=1S/C21H34N4O4/c1-14(2)22-19(26)25(28)18-21(5,6)23(20(27)24(18)15(3)4)13-12-16-8-10-17(29-7)11-9-16/h8-11,14-15,18,28H,12-13H2,1-7H3,(H,22,26)	C21H34N4O4	406.519	8	2	85.35	2	9	0	-0.669600000000001	2.89559	2.89	3.026	86.2657	113.7892	3.2693	402.124872573314
Cond-005892	NPD5942	NPD5942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.183923583	Cc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(=O)o1	InChI=1S/C15H12O5/c1-9-8-13(18)14(15(19)20-9)12(17)7-4-10-2-5-11(16)6-3-10/h2-8,16,18H,1H3/b7-4+	C15H12O5	272.253	5	2	83.83	2	3	0	-0.2845	2.15076	2.56	2.723	50.5286	73.2926	1.9544	255.242774583606
Cond-005893	NPD5943	NPD5943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.7431738308	Cc1cc(O)c(C(=O)/C=C/c2cccc(O)c2)c(=O)o1	InChI=1S/C15H12O5/c1-9-7-13(18)14(15(19)20-9)12(17)6-5-10-3-2-4-11(16)8-10/h2-8,16,18H,1H3/b6-5+	C15H12O5	272.253	5	2	83.83	2	3	0	-0.2845	2.15076	2.56	2.723	50.5286	73.2926	1.9544	255.242774583606
Cond-005894	NPD5944	NPD5944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.0474001983	ClC(=C/C=C\1/CCc2c1oc(=O)cc2)Cl	InChI=1S/C11H8Cl2O2/c12-9(13)5-3-7-1-2-8-4-6-10(14)15-11(7)8/h3-6H,1-2H2/b7-3-	C11H8Cl2O2	243.086	2	0	26.3	2	1	0	1.9407	3.33135	2.23	2.123	64.4227	61.527	1.5885	208.919667621722
Cond-005895	NPD5945	NPD5945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8610435253	COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(=O)c1ccccc1	InChI=1S/C24H22N2O5/c1-30-21-14-19(26-24(29)17-11-7-4-8-12-17)22(31-2)13-18(21)25-23(28)15-20(27)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)	C24H22N2O5	418.442	7	2	93.73	3	10	1	-1.6022	5.23687	3.33	6.367	39.4098	123.2859	3.1415	388.197863128741
Cond-005896	NPD5946	NPD5946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6543209877	[C@H]1(CCCN1C)c1cccn2c1nc(C)c2C(=O)OCC	InChI=1S/C16H21N3O2/c1-4-21-16(20)14-11(2)17-15-12(7-5-10-19(14)15)13-8-6-9-18(13)3/h5,7,10,13H,4,6,8-9H2,1-3H3/t13-/m0/s1	C16H21N3O2	287.357	5	0	46.84	3	4	0	0.215	2.44762	2.67	2.516	47.4407	83.21	2.239	263.81127713389
Cond-005897	NPD5947	NPD5947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7714697666	C12CC3C4C[C@@H]5O[C@]65C[C@@H](CC[C@]6(C)C4CC[C@]3(C)C1(CCCC2)C(=O)C)OC(=O)C	InChI=1S/C27H40O4/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23-27(31-23)15-19(30-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-23H,5-15H2,1-4H3/t18?,19-,20?,21?,22?,23+,24+,25-,26?,27+/m1/s1	C27H40O4	428.604	4	0	55.9	6	3	1	-0.973100000000002	5.70149000000001	3.99	6.157	110.8251	120.476	3.4101	431.297280795047
Cond-005898	NPD5948	NPD5948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0221681536	[C@@H]12CCC3C4C[C@H]5OC(C)(C)O[C@@]5(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](C2)OC(=O)c1cc(I)ccc1	InChI=1S/C31H41IO5/c1-18(33)31-26(36-28(2,3)37-31)17-25-23-10-9-20-16-22(35-27(34)19-7-6-8-21(32)15-19)11-13-29(20,4)24(23)12-14-30(25,31)5/h6-8,15,20,22-26H,9-14,16-17H2,1-5H3/t20-,22+,23?,24?,25?,26+,29-,30-,31+/m0/s1	C31H41IO5	620.559	5	0	61.83	6	4	1	1.4822	6.91689000000001	4.21	8.606	121.3413	151.943	4.1616	515.738871566941
Cond-005899	NPD5949	NPD5949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.1579706227	CC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CC(F)[C@@]4(Br)CC(O)CC[C@]4(C)C3CC[C@]21C	InChI=1S/C24H36BrFO4/c1-13(27)24-19(29-20(2,3)30-24)11-17-15-10-18(26)23(25)12-14(28)6-8-21(23,4)16(15)7-9-22(17,24)5/h14-19,28H,6-12H2,1-5H3/t14?,15?,16?,17?,18?,19-,21-,22+,23+,24-/m1/s1	C24H36BrFO4	487.443	4	1	55.76	5	1	0	0.776599999999996	5.17859000000001	3.44	4.714	111.5859	118.2558	3.3317	419.75342214692
Cond-005900	NPD595	NPD595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.4928343358	COc1c(F)cc(cc1)c1coc2c1cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C22H17FO4/c1-11-20-16(9-15-13-4-3-5-14(13)22(24)27-21(11)15)17(10-26-20)12-6-7-19(25-2)18(23)8-12/h6-10H,3-5H2,1-2H3	C22H17FO4	364.366	4	0	48.67	5	2	0	0.7381	5.73239	3.33	3.987	42.122	103.332	2.5309	312.086164311219
Cond-005901	NPD5950	NPD5950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0696584663	[C@@H]12CCC3C4C[C@@H](C)[C@](O)(C(=O)C)[C@@]4(C)CC=C3[C@@]1(C)CC[C@H](C2)OC(=O)c1cccc(I)c1	InChI=1S/C29H37IO4/c1-17-14-25-23-9-8-20-16-22(34-26(32)19-6-5-7-21(30)15-19)10-12-27(20,3)24(23)11-13-28(25,4)29(17,33)18(2)31/h5-7,11,15,17,20,22-23,25,33H,8-10,12-14,16H2,1-4H3/t17-,20+,22-,23?,25?,27+,28+,29+/m1/s1	C29H37IO4	576.506	4	1	63.6	5	4	1	1.7796	6.24008000000001	4.1	6.822	113.8538	142.9948	3.8867	482.076675614646
Cond-005902	NPD5952	NPD5952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.4594034424	CC(=O)C12CCCCC1CC1C3C[C@@H]4O[C@]54CC(O)CC[C@]5(C)C3CC[C@]21C	InChI=1S/C25H38O3/c1-15(26)24-9-5-4-6-16(24)12-20-18-13-21-25(28-21)14-17(27)7-10-23(25,3)19(18)8-11-22(20,24)2/h16-21,27H,4-14H2,1-3H3/t16?,17?,18?,19?,20?,21-,22-,23+,24?,25-/m0/s1	C25H38O3	386.567	3	1	49.83	6	1	1	-1.3522	5.13069000000001	3.88	5.417	101.6736	110.9288	3.1126	390.551543543553
Cond-005903	NPD5953	NPD5953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.0417229882	C[C@]12CCC3C(CCC4=CC(O)C=C[C@]34C)C1CC[C@@]2(O)C#C	InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,7,10,13,15-18,22-23H,5-6,8-9,11-12H2,2-3H3/t15?,16?,17?,18?,19-,20-,21-/m0/s1	C21H28O2	312.446	2	2	40.46	4	0	0	1.5659	3.38237	3.55	3.994	91.7432	90.2136000000001	2.5785	329.380919638724
Cond-005904	NPD5954	NPD5954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.525907903	CCOC(=O)N/N=C(/C)\C1=CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C24H36N2O3/c1-5-29-22(28)26-25-15(2)19-8-9-20-18-7-6-16-14-17(27)10-12-23(16,3)21(18)11-13-24(19,20)4/h6,8,17-18,20-21,27H,5,7,9-14H2,1-4H3,(H,26,28)/b25-15-/t17?,18?,20?,21?,23-,24+/m0/s1	C24H36N2O3	400.554	5	2	70.92	4	5	1	0.655999999999999	4.31646000000001	3.55	5.457	112.8545	117.5715	3.2595	412.052620633219
Cond-005905	NPD5955	NPD5955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9243939804	Nc1c(CCCC(=O)O)sc(CCCCCC(=O)O)c1	InChI=1S/C14H21NO4S/c15-11-9-10(5-2-1-3-7-13(16)17)20-12(11)6-4-8-14(18)19/h9H,1-8,15H2,(H,16,17)(H,18,19)	C14H21NO4S	299.386	5	4	128.86	1	10	0	-1.2101	3.15899	2.34	1.906	56.1026	82.3560000000001	2.2987	281.564641026945
Cond-005906	NPD5956	NPD5956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2668288727	NC(C(=O)O)c1ccc(CCCC(=O)O)s1	InChI=1S/C10H13NO4S/c11-9(10(14)15)7-5-4-6(16-7)2-1-3-8(12)13/h4-5,9H,1-3,11H2,(H,12,13)(H,14,15)	C10H13NO4S	243.28	5	4	128.86	1	6	0	-0.7936	0.64489	1.9	-1.704	41.6896	58.74	1.7351	212.380702523478
Cond-005907	NPD5957	NPD5957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.8438316662	O=C(CCCNC(=O)c1cccnc1)NCc1ccccc1	InChI=1S/C17H19N3O2/c21-16(20-12-14-6-2-1-3-7-14)9-5-11-19-17(22)15-8-4-10-18-13-15/h1-4,6-8,10,13H,5,9,11-12H2,(H,19,22)(H,20,21)	C17H19N3O2	297.352	5	2	71.09	2	9	0	-1.4996	1.53689	2.78	3.023	31.7682	86.3584	2.3595	285.554344358157
Cond-005908	NPD5958	NPD5958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8353609084	O/N=C/1\CSC[C@H]1NC(=O)c1ccccc1	InChI=1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,9,15H,6-7H2,(H,12,14)/b13-10+/t9-/m1/s1	C11H12N2O2S	236.29	4	2	86.99	2	3	0	-0.6134	1.33039	2.12	3.111	36.7129	67.2642	1.7068	208.100076554789
Cond-005909	NPD5959	NPD5959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.1394070469	COC(=O)CCC/C=C\1/SC[C@@H](NC(=O)c2ccccc2)C1=O	InChI=1S/C17H19NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,18,21)/b14-9+/t13-/m1/s1	C17H19NO4S	333.402	5	1	97.77	2	8	0	-0.418900000000001	2.48818	2.67	3.708	62.1633	92.0842	2.4838	313.186760101345
Cond-005910	NPD596	NPD596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.463097323	COc1cc2c([nH]c3c2CCNC3c2cc(Cn3nc(C)cc3C)c(OC)cc2)cc1	InChI=1S/C25H28N4O2/c1-15-11-16(2)29(28-15)14-18-12-17(5-8-23(18)31-4)24-25-20(9-10-26-24)21-13-19(30-3)6-7-22(21)27-25/h5-8,11-13,24,26-27H,9-10,14H2,1-4H3	C25H28N4O2	416.515	6	2	64.1	5	5	0	0.176199999999999	4.01873000000001	3.55	3.858	52.8687	121.3647	3.2177	373.413146770058
Cond-005911	NPD5960	NPD5960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9336757682	COC(=O)CCC/C=C/1\SC[C@@H](NC(=O)c2ccccc2)[C@@H]1O	InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9-/t13-,16+/m1/s1	C17H21NO4S	335.418	5	2	100.93	2	8	0	-0.5591	2.27998	2.67	3.385	62.8549	93.084	2.5268	315.823218802146
Cond-005912	NPD5961	NPD5961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3039560242	[C@@H](CSCC(=O)O)(NC(=O)c1ccccc1)C(=O)O	InChI=1S/C12H13NO5S/c14-10(15)7-19-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m0/s1	C12H13NO5S	283.3	6	3	129	1	8	0	-0.8711	0.92129	2.01	2.094	42.2706	73.5358	1.9896	250.489981074173
Cond-005913	NPD5962	NPD5962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0153194557	Cc1ccc(cc1C)N(CC(O)C(O)C(O)CO)N=O	InChI=1S/C13H20N2O5/c1-8-3-4-10(5-9(8)2)15(14-20)6-11(17)13(19)12(18)7-16/h3-5,11-13,16-19H,6-7H2,1-2H3	C13H20N2O5	284.308	7	4	113.59	1	7	0	-0.798999999999999	-0.68157	2.12	0.188999999999999	49.5378	71.1602000000001	2.1528	265.546619252206
Cond-005914	NPD5964	NPD5964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.8811390466	O[C@@H]1C2SC[C@]1(CCC2OC(=O)c1ccccc1)NC(=O)c1ccccc1	InChI=1S/C21H21NO4S/c23-18-17-16(26-20(25)15-9-5-2-6-10-15)11-12-21(18,13-27-17)22-19(24)14-7-3-1-4-8-14/h1-10,16-18,23H,11-13H2,(H,22,24)/t16?,17?,18-,21+/m1/s1	C21H21NO4S	383.461	5	2	100.93	4	6	1	-1.0525	2.61929	3.11	6.199	48.6636	106.793	2.7872	344.121322502413
Cond-005915	NPD5965	NPD5965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8512210507	COC(=O)CCC/C=C/1\SCC(NC(=O)c2ccccc2)\C1=N/O	InChI=1S/C17H20N2O4S/c1-23-15(20)10-6-5-9-14-16(19-22)13(11-24-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,22H,5-6,10-11H2,1H3,(H,18,21)/b14-9-,19-16+	C17H20N2O4S	348.417	6	2	113.29	2	8	0	-0.377000000000001	2.74928	2.56	3.951	65.6982	96.2987	2.5836	324.183520309512
Cond-005916	NPD5966	NPD5966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0945300532	O[C@@H]1CSC[C@H]1NC(=O)OCc1ccccc1	InChI=1S/C12H15NO3S/c14-11-8-17-7-10(11)13-12(15)16-6-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11-/m1/s1	C12H15NO3S	253.317	4	2	83.86	2	5	0	-0.0197000000000002	0.64759	2.23	3.344	40.0833	68.9805	1.8496	225.82598637385
Cond-005917	NPD5967	NPD5967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2935928629	O[C@H]1COC(Nc2ccc(cc2)N(=O)=O)[C@H](O)[C@H]1O	InChI=1S/C11H14N2O6/c14-8-5-19-11(10(16)9(8)15)12-6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2/t8-,9-,10+,11?/m0/s1	C11H14N2O6	270.239	8	4	125.09	2	3	0	-1.3027	-0.13341	1.79	1.088	34.5863	67.4621	1.8211	227.388418000234
Cond-005918	NPD5968	NPD5968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1769847707	Cc1cc(NC2O[C@H](C(O)CO)[C@H](O)[C@H]2O)c(NC2O[C@@H](C(O)CO)[C@@H](O)[C@@H]2O)cc1C	InChI=1S/C20H32N2O10/c1-7-3-9(21-19-15(29)13(27)17(31-19)11(25)5-23)10(4-8(7)2)22-20-16(30)14(28)18(32-20)12(26)6-24/h3-4,11-30H,5-6H2,1-2H3/t11?,12?,13-,14+,15-,16+,17-,18+,19?,20?	C20H32N2O10	460.475	12	10	204.36	3	8	2	-3.663	-3.23367	2.34	-1.092	84.3218	108.7448	3.25840000000001	408.49318643528
Cond-005919	NPD5969	NPD5969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7174010994	OC[C@H]1OC(Nc2cc(ccc2)N(=O)=O)[C@H](O)[C@@H]1O	InChI=1S/C11H14N2O6/c14-5-8-9(15)10(16)11(19-8)12-6-2-1-3-7(4-6)13(17)18/h1-4,8-12,14-16H,5H2/t8-,9-,10-,11?/m1/s1	C11H14N2O6	270.239	8	4	125.09	2	4	0	-1.3027	-0.13341	1.79	1.088	34.5863	67.4621	1.8211	227.388418000234
Cond-005920	NPD597	NPD597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4108081061	COc1cc2c([nH]c3c2CCNC3c2c(OCc3ncccc3)ccc(Br)c2)cc1	InChI=1S/C24H22BrN3O2/c1-29-17-6-7-21-19(13-17)18-9-11-27-23(24(18)28-21)20-12-15(25)5-8-22(20)30-14-16-4-2-3-10-26-16/h2-8,10,12-13,23,27-28H,9,11,14H2,1H3	C24H22BrN3O2	464.354	5	2	59.17	5	5	0	0.0704999999999996	5.38949	3.44	4.886	41.4081	123.7577	3.109	361.767562212791
Cond-005921	NPD5970	NPD5970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6993782103	CC(=O)Nc1ccc(NC(=O)C)c(NC2OC[C@H](O)[C@H](O)[C@H]2O)c1	InChI=1S/C15H21N3O6/c1-7(19)16-9-3-4-10(17-8(2)20)11(5-9)18-15-14(23)13(22)12(21)6-24-15/h3-5,12-15,18,21-23H,6H2,1-2H3,(H,16,19)(H,17,20)/t12-,13-,14+,15?/m0/s1	C15H21N3O6	339.344	9	6	140.15	2	6	1	-3.2126	0.28828	2.12	-0.307	56.4281	89.9185	2.4415	304.932658011068
Cond-005922	NPD5971	NPD5971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.2758403172	CCOC(=O)CCCC[C@H]1SC[C@@H](NC(=O)OC)[C@H]1NC(=O)OC	InChI=1S/C15H26N2O6S/c1-4-23-12(18)8-6-5-7-11-13(17-15(20)22-3)10(9-24-11)16-14(19)21-2/h10-11,13H,4-9H2,1-3H3,(H,16,19)(H,17,20)/t10-,11-,13-/m1/s1	C15H26N2O6S	362.442	8	2	128.26	1	13	1	-0.0799999999999986	1.27249	2.12	1.619	81.2446	92.8584	2.6998	340.974297962901
Cond-005923	NPD5972	NPD5972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1054339011	O=C1C2CN3C[C@@]1(CN(C2)CC3)c1ccccc1	InChI=1S/C15H18N2O/c18-14-12-8-16-6-7-17(9-12)11-15(14,10-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2/t12?,15-	C15H18N2O	242.316	3	0	23.55	3	1	0	-0.682300000000002	0.98839	2.78	1.769	45.6573	72.74	1.874	227.908305599295
Cond-005924	NPD5973	NPD5973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7993151302	COc1cc2c(cc1)n(CC(=O)N1CCCC1C(=O)N)cc2	InChI=1S/C16H19N3O3/c1-22-12-4-5-13-11(9-12)6-8-18(13)10-15(20)19-7-2-3-14(19)16(17)21/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,17,21)	C16H19N3O3	301.34	6	2	77.56	3	5	0	-2.2315	1.76528	2.56	0.611	43.517	86.7034	2.2547	269.965045133651
Cond-005925	NPD5974	NPD5974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6193565829	CC(C)COC(=O)n1c(=O)oc2c1cccc2	InChI=1S/C12H13NO4/c1-8(2)7-16-11(14)13-9-5-3-4-6-10(9)17-12(13)15/h3-6,8H,7H2,1-2H3	C12H13NO4	235.236	5	0	55.84	2	4	0	0.927800000000001	2.89678	2.23	3.01	34.0656	66.046	1.7018	213.470730316011
Cond-005926	NPD5976	NPD5976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0614580517	CC(=O)OCC(OC(=O)C)[C@@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C16H22O11/c1-7(17)22-6-12(23-8(2)18)13-14(24-9(3)19)15(25-10(4)20)16(27-13)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14-,15+,16+/m0/s1	C16H22O11	390.339	11	0	140.73	1	12	2	-0.617899999999999	-0.13351	2.01	0.287	81.6809	86.965	2.6851	356.44595421604
Cond-005927	NPD5977	NPD5977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.6656754078	Cc1c(oc2ccc3c(C)cc(=O)oc3c12)/C(=N/O)/c1ccc(Cl)cc1	InChI=1S/C20H14ClNO4/c1-10-9-16(23)26-20-14(10)7-8-15-17(20)11(2)19(25-15)18(22-24)12-3-5-13(21)6-4-12/h3-9,24H,1-2H3/b22-18+	C20H14ClNO4	367.782	5	1	72.03	4	2	0	1.7267	5.19589	3	4.65	42.4349	104.6885	2.5192	307.354464187779
Cond-005928	NPD5978	NPD5978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4115526719	C/C(=N\O)/c1c(C)c2c3oc(=O)cc(C)c3ccc2o1	InChI=1S/C15H13NO4/c1-7-6-12(17)20-15-10(7)4-5-11-13(15)8(2)14(19-11)9(3)16-18/h4-6,18H,1-3H3/b16-9+	C15H13NO4	271.268	5	1	72.03	3	1	0	0.9923	3.51409	2.56	2.441	42.2437	79.8085	1.9299	236.829308091212
Cond-005929	NPD5979	NPD5979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3023339641	CCOC(=O)c1c(c2c3oc(=O)cc(C)c3ccc2o1)c1ccccc1	InChI=1S/C21H16O5/c1-3-24-21(23)20-17(13-7-5-4-6-8-13)18-15(25-20)10-9-14-12(2)11-16(22)26-19(14)18/h4-11H,3H2,1-2H3	C21H16O5	348.349	5	0	65.74	4	4	1	0.8239	5.12526	3.22	5.584	38.7185	104.1815	2.4966	307.232847535607
Cond-005930	NPD598	NPD598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9390072979	COCCOC(=O)c1c(C)oc2ccc(OC/C=C/c3ccccc3)cc12	InChI=1S/C22H22O5/c1-16-21(22(23)26-14-13-24-2)19-15-18(10-11-20(19)27-16)25-12-6-9-17-7-4-3-5-8-17/h3-11,15H,12-14H2,1-2H3/b9-6+	C22H22O5	366.407	5	0	57.9	3	9	1	0.491	4.06799000000001	3.33	6.163	47.0334	107.106	2.7891	339.521749563074
Cond-005931	NPD5980	NPD5980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1671622961	CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1C(=O)CC	InChI=1S/C19H22O6/c1-5-13(20)17-15(24-14(6-2)19(22)23-7-3)9-8-12-11(4)10-16(21)25-18(12)17/h8-10,14H,5-7H2,1-4H3	C19H22O6	346.374	6	0	78.9	2	8	0	0.252399999999999	4.37486000000001	2.89	2.878	66.6455	97.9925	2.6197	335.853398488435
Cond-005932	NPD5981	NPD5981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0809227719	C/C(=N\O)/c1c2oc(=O)cc(C)c2ccc1OCc1ccccc1	InChI=1S/C19H17NO4/c1-12-10-17(21)24-19-15(12)8-9-16(18(19)13(2)20-22)23-11-14-6-4-3-5-7-14/h3-10,22H,11H2,1-2H3/b20-13+	C19H17NO4	323.343	5	1	68.12	3	4	0	0.3619	4.49936	3	4.766	41.4538	96.0465	2.4075	300.740329193079
Cond-005933	NPD5982	NPD5982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1753627106	CCOC(=O)C(CC)(/N=N/c1c(C)cc2oc(=O)cc(C)c2c1)C(=O)C	InChI=1S/C19H22N2O5/c1-6-19(13(5)22,18(24)25-7-2)21-20-15-10-14-11(3)9-17(23)26-16(14)8-12(15)4/h8-10H,6-7H2,1-5H3/b21-20+	C19H22N2O5	358.388	7	0	94.39	2	7	0	0.844499999999999	3.92589	2.78	4.306	64.4852	99.543	2.7176	346.420233503407
Cond-005934	NPD5983	NPD5983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3670361359	CC(C)C(=O)Nc1c(C)cc2oc(=O)cc(C)c2c1	InChI=1S/C15H17NO3/c1-8(2)15(18)16-12-7-11-9(3)6-14(17)19-13(11)5-10(12)4/h5-8H,1-4H3,(H,16,18)	C15H17NO3	259.3	4	1	55.4	2	3	0	1.4579	3.83819	2.67	2.461	48.8474	77.5867	2.0228	253.93199879225
Cond-005935	NPD5984	NPD5984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3673064792	Cc1cc(=O)oc2cc(C)c(NC(=O)c3ccc(Br)cc3)cc12	InChI=1S/C18H14BrNO3/c1-10-8-17(21)23-16-7-11(2)15(9-14(10)16)20-18(22)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,20,22)	C18H14BrNO3	372.213	4	1	55.4	3	3	0	1.6124	5.25849	2.89	4.462	42.3599	96.2142	2.3829	293.937736844218
Cond-005936	NPD5985	NPD5985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.3309903578	Cc1cc(=O)oc2cc(C)c(NC(=O)CCCCl)cc12	InChI=1S/C15H16ClNO3/c1-9-7-15(19)20-13-6-10(2)12(8-11(9)13)17-14(18)4-3-5-16/h6-8H,3-5H2,1-2H3,(H,17,18)	C15H16ClNO3	293.745	4	1	55.4	2	5	0	1.2263	4.20119	2.56	2.868	51.5494	82.7027	2.1452	269.143066562684
Cond-005937	NPD5986	NPD5986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.607641705	Cc1cc(=O)oc2c(I)c(O)ccc12	InChI=1S/C10H7IO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,1H3	C10H7IO3	302.065	3	1	46.53	2	0	0	1.6762	2.87107	2.12	2.228	37.328	64.3518	1.5197	184.368575825816
Cond-005938	NPD5988	NPD5988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.44192124	Cc1cc2c(cc1NC(=O)CCC(=O)O)c(C)cc(=O)o2	InChI=1S/C15H15NO5/c1-8-6-15(20)21-12-5-9(2)11(7-10(8)12)16-13(17)3-4-14(18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H,18,19)	C15H15NO5	289.283	6	2	92.7	2	5	0	0.553399999999999	3.04699	2.45	1.285	50.0785	79.6185	2.0972	268.875993492573
Cond-005939	NPD5989	NPD5989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9582770118	Cc1cc(=O)oc2c1ccc1c2/C(=N/O)/CO1	InChI=1S/C12H9NO4/c1-6-4-10(14)17-12-7(6)2-3-9-11(12)8(13-15)5-16-9/h2-4,15H,5H2,1H3/b13-8+	C12H9NO4	231.204	5	1	68.12	3	0	0	0.1386	2.63236	2.23	1.32	35.8792	65.8495	1.5502	198.477812914411
Cond-005940	NPD599	NPD599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.36447216	CCCCc1c(C)c2c(oc1=O)cc(OCC(=O)c1ccc(C)cc1)cc2	InChI=1S/C23H24O4/c1-4-5-6-20-16(3)19-12-11-18(13-22(19)27-23(20)25)26-14-21(24)17-9-7-15(2)8-10-17/h7-13H,4-6,14H2,1-3H3	C23H24O4	364.434	4	0	52.6	3	7	1	0.187500000000001	5.41099	3.55	6.612	53.2887	108.3455	2.8713	358.92750748838
Cond-005941	NPD5990	NPD5990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1204830134	CC(=O)CCc1c(C)c2c([nH]c1=O)cccc2	InChI=1S/C14H15NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6H,7-8H2,1-2H3,(H,15,17)	C14H15NO2	229.274	3	1	46.17	2	3	0	-0.0729000000000003	3.43267	2.67	2.053	41.007	70.0047	1.8232	227.845787465823
Cond-005942	NPD5991	NPD5991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7438947463	CC1Cc2c(S1)c1c(cccc1)nc2C	InChI=1S/C13H13NS/c1-8-7-11-9(2)14-12-6-4-3-5-10(12)13(11)15-8/h3-6,8H,7H2,1-2H3	C13H13NS	215.314	1	0	38.19	3	0	0	1.0934	3.70471	2.67	3.961	27.688	65.447	1.6628	190.858373496434
Cond-005943	NPD5992	NPD5992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	9.4530053168	CCOC(=O)c1cc2c(cc1)nc(C)c1c2OC(C1)C(C)(Cl)Br	InChI=1S/C17H17BrClNO3/c1-4-22-16(21)10-5-6-13-12(7-10)15-11(9(2)20-13)8-14(23-15)17(3,18)19/h5-7,14H,4,8H2,1-3H3	C17H17BrClNO3	398.679	4	0	48.42	3	4	0	1.9092	5.022	2.67	4.641	55.1174	99.034	2.4934	299.762196091184
Cond-005944	NPD5993	NPD5993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0748851041	COc1cccc2c1nc(C)c(CC=C)c2O	InChI=1S/C14H15NO2/c1-4-6-10-9(2)15-13-11(14(10)16)7-5-8-12(13)17-3/h4-5,7-8H,1,6H2,2-3H3,(H,15,16)	C14H15NO2	229.274	3	1	42.35	2	3	0	0.956099999999999	3.4622	2.67	2.791	30.5147	70.957	1.8232	216.945787465823
Cond-005945	NPD5994	NPD5994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9972965666	CCc1c(C)[nH]c2ccc(cc2c1=O)C(=O)O	InChI=1S/C13H13NO3/c1-3-9-7(2)14-11-5-4-8(13(16)17)6-10(11)12(9)15/h4-6H,3H2,1-2H3,(H,14,15)(H,16,17)	C13H13NO3	231.247	4	2	66.4	2	2	0	-0.352200000000001	3.17167	2.45	1.956	40.3745	67.3400000000001	1.741	219.340029540517
Cond-005946	NPD5995	NPD5995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3847886816	Cc1nc2ccc(cc2c2c1CCC(=O)O2)C(=O)O	InChI=1S/C14H11NO4/c1-7-9-3-5-12(16)19-13(9)10-6-8(14(17)18)2-4-11(10)15-7/h2,4,6H,3,5H2,1H3,(H,17,18)	C14H11NO4	257.241	5	1	76.49	3	1	0	0.2058	2.7417	2.45	1.995	28.6581	72.6878	1.789	219.533323465345
Cond-005947	NPD5996	NPD5996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1775254573	COc1ccc(cc1)C1(Oc2c(C=C1)c1c(cccc1)c(OC(=O)C(C)C)c2)c1ccc(OC)cc1	InChI=1S/C31H28O5/c1-20(2)30(32)35-28-19-29-27(25-7-5-6-8-26(25)28)17-18-31(36-29,21-9-13-23(33-3)14-10-21)22-11-15-24(34-4)16-12-22/h5-20H,1-4H3	C31H28O5	480.551	5	0	53.99	5	7	1	0.568400000000001	7.42947	4.32	8.037	50.2506	146.505	3.66800000000001	449.026858991075
Cond-005948	NPD5997	NPD5997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.8556366586	CN1c2c(c3c(cccc3)cc2)C(C)(C)[C@]21Oc1ccc3ncccc3c1N=C2	InChI=1S/C25H21N3O/c1-24(2)22-17-8-5-4-7-16(17)10-12-20(22)28(3)25(24)15-27-23-18-9-6-14-26-19(18)11-13-21(23)29-25/h4-15H,1-3H3/t25-/m1/s1	C25H21N3O	379.454	4	0	37.72	6	0	1	0.8614	7.03967000000001	3.77	6.81	33.6901	122.157	2.8646	335.99678375893
Cond-005949	NPD5998	NPD5998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.5134721096	Oc1cc2c(c3c(cccc3)C2=O)c2c1cccc2	InChI=1S/C17H10O2/c18-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17(14)19/h1-9,18H	C17H10O2	246.26	2	1	37.3	4	0	0	-0.7241	3.77359	3.11	4.914	7.9106	78.3868	1.7999	214.314687631256
Cond-005950	NPD6	NPD6	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0571272988	CCOc1c(O)cc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C20H20N2O4/c1-2-26-17-8-7-11(9-16(17)23)18-19-13(10-15(22-18)20(24)25)12-5-3-4-6-14(12)21-19/h3-9,15,18,21-23H,2,10H2,1H3,(H,24,25)	C20H20N2O4	352.384	6	4	94.58	4	4	0	-1.4874	2.75988	3	2.788	39.5796	100.6923	2.5826	308.413074027113
Cond-005951	NPD60	NPD60	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.4440317755	CCc1c(OCC(=O)NCCCCCC(=O)O)cc2oc(=O)cc(C)c2c1	InChI=1S/C20H25NO6/c1-3-14-10-15-13(2)9-20(25)27-17(15)11-16(14)26-12-18(22)21-8-6-4-5-7-19(23)24/h9-11H,3-8,12H2,1-2H3,(H,21,22)(H,23,24)	C20H25NO6	375.416	7	2	101.93	2	11	1	-1.0248	3.76406	2.89	2.58	70.0058	106.0175	2.8604	364.146143322469
Cond-005952	NPD600	NPD600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0184297482	COc1cc2c(cc1OC)[C@H](C)N(CC1(Cc3ccc(OC(C)C)cc3)C(=O)N(C)C(=O)N(C)C1=O)CC2	InChI=1S/C29H37N3O6/c1-18(2)38-22-10-8-20(9-11-22)16-29(26(33)30(4)28(35)31(5)27(29)34)17-32-13-12-21-14-24(36-6)25(37-7)15-23(21)19(32)3/h8-11,14-15,18-19H,12-13,16-17H2,1-7H3/t19-/m0/s1	C29H37N3O6	523.621	9	0	88.62	4	8	0	-0.496300000000001	2.94649000000001	3.66	3.553	95.9573	144.593	4.0249	500.917690568403
Cond-005953	NPD6000	NPD6000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0212540331	CCC1(CC)N2C[C@@]3(C)CN1C[C@@](C)(C2)C3O	InChI=1S/C14H26N2O/c1-5-14(6-2)15-7-12(3)8-16(14)10-13(4,9-15)11(12)17/h11,17H,5-10H2,1-4H3/t11?,12-,13+	C14H26N2O	238.369	3	1	26.71	0	2	0	-0.346899999999999	1.521	2.67	1.598	66.7737	68.6798000000001	2.0137	244.414614477428
Cond-005954	NPD6001	NPD6001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.414792085	C[C@@]12CNC[C@@](C)(CN(C1)C(=O)CCC(=O)O)C2=O	InChI=1S/C13H20N2O4/c1-12-5-14-6-13(2,11(12)19)8-15(7-12)9(16)3-4-10(17)18/h14H,3-8H2,1-2H3,(H,17,18)/t12-,13+	C13H20N2O4	268.309	6	2	86.71	2	4	0	-0.898400000000001	0.11219	2.23	-1.807	67.4992	70.7835	2.0285	257.936392551645
Cond-005955	NPD6002	NPD6002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6331761467	CN1C[C@]2(CN(C)C[C@](C1)(C(=O)c1ccccc1)C2=O)C(=O)c1ccccc1	InChI=1S/C23H24N2O3/c1-24-13-22(19(26)17-9-5-3-6-10-17)15-25(2)16-23(14-24,21(22)28)20(27)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/t22-,23+	C23H24N2O3	376.448	5	0	57.69	4	4	0	-1.2536	2.15329	3.44	4.051	57.3172	109.4335	2.9036	359.774342503352
Cond-005956	NPD6003	NPD6003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1079398028	CCOC(=O)c1c(CCN2C(=O)c3c(cccc3)C2=O)c2c(ccc(Br)c2)[nH]1	InChI=1S/C21H17BrN2O4/c1-2-28-21(27)18-13(16-11-12(22)7-8-17(16)23-18)9-10-24-19(25)14-5-3-4-6-15(14)20(24)26/h3-8,11,23H,2,9-10H2,1H3	C21H17BrN2O4	441.275	6	1	79.47	4	6	0	0.2389	3.83748	3	4.453	49.7283	111.963	2.8125	339.719760228946
Cond-005957	NPD6004	NPD6004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.7944089709	CC1=C2C(CCS2(=O)=O)c2c(C1)c(O)ccc2O	InChI=1S/C13H14O4S/c1-7-6-9-10(14)2-3-11(15)12(9)8-4-5-18(16,17)13(7)8/h2-3,8,14-15H,4-6H2,1H3	C13H14O4S	266.313	4	2	82.98	3	0	0	-0.732900000000001	3.20758	2.34	-0.0960000000000001	43.4968	69.5138	1.8408	228.558978791311
Cond-005958	NPD6005	NPD6005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.015793867	CC(=O)Oc1cc(ccc1)C(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C	InChI=1S/C39H56O5/c1-24(2)28-14-19-39(23-43-34(42)26-10-9-11-27(22-26)44-25(3)40)21-20-37(7)29(33(28)39)12-13-31-36(6)17-16-32(41)35(4,5)30(36)15-18-38(31,37)8/h9-11,22,28-33,41H,1,12-21,23H2,2-8H3/t28?,29?,30?,31?,32?,33?,36-,37+,38+,39?/m0/s1	C39H56O5	604.859	5	1	72.83	6	7	1	2.4286	8.68178	5.2	12.344	147.2554	175.7608	4.98760000000001	626.193488202806
Cond-005959	NPD6006	NPD6006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.331671217	COc1ncnc2c1[nH]c1c2cc(C)cc1	InChI=1S/C12H11N3O/c1-7-3-4-9-8(5-7)10-11(15-9)12(16-2)14-6-13-10/h3-6,15H,1-2H3	C12H11N3O	213.235	4	1	50.8	3	1	0	0.1698	2.88139	2.34	2.304	16.1179	65.142	1.5737	172.300653229062
Cond-005960	NPD6007	NPD6007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0972450983	[C@@H]1(CC[C@](C)(O1)C1C(C[C@@]2(C)C3C[C@H](OC(=O)C)C4[C@]5(C[C@@]35CC[C@]12C)CCC(OC(=O)C)C4(C)C)OC(=O)C)C(C)(C)O	InChI=1S/C36H56O8/c1-20(37)41-23-17-25-33(9)18-24(42-21(2)38)29(34(10)13-11-27(44-34)31(6,7)40)32(33,8)15-16-35(25)19-36(35)14-12-26(43-22(3)39)30(4,5)28(23)36/h23-29,40H,11-19H2,1-10H3/t23-,24?,25?,26?,27+,28?,29?,32+,33-,34-,35-,36+/m0/s1	C36H56O8	616.825	8	1	108.36	6	8	1	0.752999999999997	6.38289000000001	4.54	7.519	159.7597	166.3648	4.87	619.485590529289
Cond-005961	NPD6008	NPD6008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.337018569	[C@@H]1(CC[C@](C)(O1)C1C(C[C@@]2(C)C3C[C@H](OC(=O)C)C4[C@]5(C[C@@]35CC[C@]12C)CCC(OC(=O)C)C4(C)C)OC(=O)C)C(C)(C)OC(=O)C	InChI=1S/C38H58O9/c1-21(39)43-25-18-27-35(10)19-26(44-22(2)40)31(36(11)14-12-29(47-36)33(7,8)46-24(4)42)34(35,9)16-17-37(27)20-38(37)15-13-28(45-23(3)41)32(5,6)30(25)38/h25-31H,12-20H2,1-11H3/t25-,26?,27?,28?,29+,30?,31?,34+,35-,36-,37-,38+/m0/s1	C38H58O9	658.862	9	0	114.43	6	10	1	1.1321	6.95369000000001	4.65	8.259	168.9112	175.912	5.16750000000001	660.231327780783
Cond-005962	NPD6009	NPD6009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	58.8163624467	CCCCOc1ccc(NC(=S)N2CCn3c4c(CCC24)c(=O)c2c3ccc(C)c2)cc1	InChI=1S/C26H29N3O2S/c1-3-4-15-31-19-8-6-18(7-9-19)27-26(32)29-14-13-28-22-11-5-17(2)16-21(22)25(30)20-10-12-23(29)24(20)28/h5-9,11,16,23H,3-4,10,12-15H2,1-2H3,(H,27,32)	C26H29N3O2S	447.592	5	1	76.9	5	7	1	-0.431800000000002	5.51999000000001	3.66	6.851	78.7583	134.5727	3.4223	420.021395245358
Cond-005963	NPD601	NPD601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7134184635	Cc1ccc(cc1C)/N=c/1\cc(oc2c1cccc2)c1cc2c(OCO2)cc1	InChI=1S/C24H19NO3/c1-15-7-9-18(11-16(15)2)25-20-13-23(28-21-6-4-3-5-19(20)21)17-8-10-22-24(12-17)27-14-26-22/h3-13H,14H2,1-2H3/b25-20+	C24H19NO3	369.413	4	0	40.05	5	2	1	0.6359	5.7422	3.66	7.272	36.2697	111.406	2.7501	337.544190818652
Cond-005964	NPD6010	NPD6010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.725096455	COC(=O)c1c(C)nc(C)c2c1c1c(oc2=O)c(OC)ccc1	InChI=1S/C17H15NO5/c1-8-12(16(19)22-4)14-10-6-5-7-11(21-3)15(10)23-17(20)13(14)9(2)18-8/h5-7H,1-4H3	C17H15NO5	313.305	6	0	74.72	3	3	0	0.7473	3.16463	2.67	2.566	37.0609	87.3425	2.2274	277.575045342706
Cond-005965	NPD6012	NPD6012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9472710453	Cc1nc2c(c3c1[nH]c1c3cccc1)/C(=N/NC(=O)c1c(O)cccc1)/CC(C)(C)C2	InChI=1S/C25H24N4O2/c1-14-23-21(15-8-4-6-10-17(15)27-23)22-18(26-14)12-25(2,3)13-19(22)28-29-24(31)16-9-5-7-11-20(16)30/h4-11,27,30H,12-13H2,1-3H3,(H,29,31)/b28-19+	C25H24N4O2	412.484	6	3	90.37	5	3	1	0.0885999999999999	4.75078000000001	3.55	6.772	48.5702	127.8025	3.1317	368.140229368458
Cond-005966	NPD6013	NPD6013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2256041154	[C@H]12CCCC[C@]1(C)C1CC[C@@]3(C)C(CC[C@]43CN(C(=O)CI)C(C)(C)O4)C1CC2	InChI=1S/C25H40INO2/c1-22(2)27(21(28)15-26)16-25(29-22)14-11-20-18-9-8-17-7-5-6-12-23(17,3)19(18)10-13-24(20,25)4/h17-20H,5-16H2,1-4H3/t17-,18?,19?,20?,23+,24+,25-/m1/s1	C25H40INO2	513.495	3	0	29.54	5	2	1	1.2247	6.42179000000001	3.77	8.726	119.9434	128.082	3.5205	430.391337422224
Cond-005967	NPD6014	NPD6014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.1765980009	CC1(C)O[C@]2(CCC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]23C)CN1C(=O)CI	InChI=1S/C25H36INO3/c1-22(2)27(21(29)14-26)15-25(30-22)12-9-20-18-6-5-16-13-17(28)7-10-23(16,3)19(18)8-11-24(20,25)4/h13,18-20H,5-12,14-15H2,1-4H3/t18?,19?,20?,23-,24-,25+/m0/s1	C25H36INO3	525.463	4	0	46.61	5	2	1	1.5945	5.44708000000001	3.66	5.369	126.1978	128.178	3.4932	433.908646721185
Cond-005968	NPD6015	NPD6015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.9116220302	CC(C)COC(=O)Cc1c(C)nc(O)nc1O	InChI=1S/C11H16N2O4/c1-6(2)5-17-9(14)4-8-7(3)12-11(16)13-10(8)15/h6H,4-5H2,1-3H3,(H2,12,13,15,16)	C11H16N2O4	240.256	6	2	92.54	1	5	0	0.0471000000000001	1.7565	2.01	0.663	40.6826	64.0936	1.8123	222.164423299911
Cond-005969	NPD6016	NPD6016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2994742898	CCN(CC)CCCn1cnc2c1c(=O)n(CCOC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n2C	InChI=1S/C25H35N5O7/c1-7-28(8-2)10-9-11-29-16-26-22-20(29)23(31)30(25(33)27(22)3)12-13-37-24(32)17-14-18(34-4)21(36-6)19(15-17)35-5/h14-16H,7-13H2,1-6H3	C25H35N5O7	517.575	12	0	115.67	3	14	1	-0.405200000000003	2.88338000000001	2.89	1.244	96.3573	139.9105	3.8712	477.510416583431
Cond-005970	NPD6017	NPD6017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9204214706	COc1cc(cc(OC)c1OC)C(=O)OCCCn1c(=O)n(C)c2c(n(CCN(C)C)cn2)c1=O	InChI=1S/C23H31N5O7/c1-25(2)9-10-27-14-24-20-18(27)21(29)28(23(31)26(20)3)8-7-11-35-22(30)15-12-16(32-4)19(34-6)17(13-15)33-5/h12-14H,7-11H2,1-6H3	C23H31N5O7	489.522	12	0	115.67	3	12	1	-0.906	2.10318000000001	2.67	0.398	87.7697	130.6765	3.5894	442.918447331697
Cond-005971	NPD6018	NPD6018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1207553981	COc1cc(cc(OC)c1OC)C(=O)OCCCn1c(=O)n(C)c2c(n(CC(O)CO)cn2)c1=O	InChI=1S/C22H28N4O9/c1-24-19-17(25(12-23-19)10-14(28)11-27)20(29)26(22(24)31)6-5-7-35-21(30)13-8-15(32-2)18(34-4)16(9-13)33-3/h8-9,12,14,27-28H,5-7,10-11H2,1-4H3	C22H28N4O9	492.479	13	2	152.89	3	12	1	-2.0948	0.894780000000002	2.45	-0.836	82.0054	125.2151	3.4661	432.206155898786
Cond-005972	NPD6019	NPD6019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2904492227	CCCCCCn1c(=O)n(C)c2c(n(CC(O)CO)cn2)c1=O	InChI=1S/C15H24N4O4/c1-3-4-5-6-7-19-14(22)12-13(17(2)15(19)23)16-10-18(12)8-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3	C15H24N4O4	324.375	8	2	98.9	2	8	0	-2.6726	1.20218	2.23	0.482	63.6876	88.3596	2.4669	300.985423518912
Cond-005973	NPD602	NPD602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.6363128881	COc1ccc(cc1)c1c/c(=N\c2ccc(C)c(C)c2)/c2c(o1)cccc2	InChI=1S/C24H21NO2/c1-16-8-11-19(14-17(16)2)25-22-15-24(18-9-12-20(26-3)13-10-18)27-23-7-5-4-6-21(22)23/h4-15H,1-3H3/b25-22+	C24H21NO2	355.429	3	0	30.82	4	3	1	0.8868	5.52131	3.77	7.789	36.1134	109.774	2.8	341.110422818891
Cond-005974	NPD6020	NPD6020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3860472462	CC(C)NCC(O)COc1nc2c(n(C)cn2)c(=O)n1C	InChI=1S/C13H21N5O3/c1-8(2)14-5-9(19)6-21-13-16-11-10(12(20)18(13)4)17(3)7-15-11/h7-9,14,19H,5-6H2,1-4H3	C13H21N5O3	295.338	8	2	91.98	2	6	0	-0.687199999999999	0.139969999999999	2.01	-0.357	63.165	82.3715	2.2262	268.599987774784
Cond-005975	NPD6021	NPD6021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9220911081	Cn1c2c(n(CC(O)CO)cn2)c(=O)nc1O	InChI=1S/C9H12N4O4/c1-12-7-6(8(16)11-9(12)17)13(4-10-7)2-5(15)3-14/h4-5,14-15H,2-3H2,1H3,(H,11,16,17)	C9H12N4O4	240.216	8	3	111.18	2	3	0	-1.6765	-0.46134	1.57	-0.687	42.2652	63.4184	1.6215	197.209515763711
Cond-005976	NPD6022	NPD6022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2922316735	CCN(CC)CCNC(=O)Cc1nc2c(n1C)c(O)nc(=O)n2C	InChI=1S/C15H24N6O3/c1-5-21(6-2)8-7-16-11(22)9-10-17-13-12(19(10)3)14(23)18-15(24)20(13)4/h5-9H2,1-4H3,(H,16,22)(H,18,23,24)	C15H24N6O3	336.389	9	2	103.06	2	8	0	-0.484599999999998	0.60106	2.12	-0.294	74.3045	96.4255000000001	2.5648	311.552258533885
Cond-005977	NPD6024	NPD6024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.4969201958	CCCCNc1nc2c(nc(C)n(CCCC)c2=O)c(NCCCC)n1	InChI=1S/C19H32N6O/c1-5-8-11-20-17-15-16(23-19(24-17)21-12-9-6-2)18(26)25(13-10-7-3)14(4)22-15/h5-13H2,1-4H3,(H2,20,21,23,24)	C19H32N6O	360.497	7	2	82.51	2	11	1	-2.9703	4.88286000000001	2.78	3.574	74.9668	113.4594	3.011	363.15574363623
Cond-005978	NPD6025	NPD6025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2959093883	COc1cc(cc(OC)c1OC)C(=O)OCCCn1c(=O)n(C)c2c(n(CCCN(C)C)cn2)c1=O	InChI=1S/C24H33N5O7/c1-26(2)9-7-10-28-15-25-21-19(28)22(30)29(24(32)27(21)3)11-8-12-36-23(31)16-13-17(33-4)20(35-6)18(14-16)34-5/h13-15H,7-12H2,1-6H3	C24H33N5O7	503.548	12	0	115.67	3	13	1	-1.194	2.49328	2.78	0.756	90.6813	135.2935	3.7303	460.214431957564
Cond-005979	NPD6026	NPD6026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2833194197	CC1(OCCO1)C1CCC2C3CCC4CC5(CC[C@]4(C)C3C3CC12C(=O)O3)OCCO5	InChI=1S/C25H36O6/c1-22-7-8-24(29-11-12-30-24)13-15(22)3-4-16-17-5-6-19(23(2)27-9-10-28-23)25(17)14-18(20(16)22)31-21(25)26/h15-20H,3-14H2,1-2H3/t15?,16?,17?,18?,19?,20?,22-,25?/m0/s1	C25H36O6	432.55	6	0	63.22	7	1	0	-0.589899999999998	3.90069	3.55	3.78	106.7134	112.993	3.1801	404.565764944436
Cond-005980	NPD6027	NPD6027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0775253266	[C@@H]12CCC(C(=O)C)[C@@]1(C)C[C@@H](O)[C@@]13O[C@]4(O)CC[C@@]1(C)C(CC[C@@H]23)C4	InChI=1S/C21H32O4/c1-12(22)14-6-7-15-16-5-4-13-10-20(24)9-8-19(13,3)21(16,25-20)17(23)11-18(14,15)2/h13-17,23-24H,4-11H2,1-3H3/t13?,14?,15-,16-,17+,18+,19-,20+,21+/m0/s1	C21H32O4	348.476	4	2	66.76	3	1	0	-0.7759	3.28039	3.33	2.91	89.4669	95.8066000000001	2.7163	342.514290441447
Cond-005981	NPD6028	NPD6028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2291690169	C[C@]12CC(=O)C3C(CC=C4OC(=O)CC[C@]34C)C1CCC12OCOC21COCO2	InChI=1S/C22H28O7/c1-19-7-6-17(24)29-16(19)4-3-13-14-5-8-21(20(14,2)9-15(23)18(13)19)22(28-12-26-21)10-25-11-27-22/h4,13-14,18H,3,5-12H2,1-2H3/t13?,14?,18?,19-,20-,21?,22?/m0/s1	C22H28O7	404.454	7	0	80.29	6	0	0	-0.427700000000001	2.84258	3.11	0.927	99.5193	100.944	2.8387	368.551579066597
Cond-005982	NPD6029	NPD6029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1785835157	Oc1c(O)c2c(cc1)c(=O)c(co2)c1ccc2OCCCOc2c1	InChI=1S/C18H14O6/c19-13-4-3-11-16(20)12(9-24-18(11)17(13)21)10-2-5-14-15(8-10)23-7-1-6-22-14/h2-5,8-9,19,21H,1,6-7H2	C18H14O6	326.3	6	2	85.22	4	1	0	-2.1603	3.66256	2.78	2.164	36.0087	90.8376	2.2186	280.308037760168
Cond-005983	NPD603	NPD603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.7357104108	CCC(=O)c1cc(OC)c(OCC(O)COc2ccc(cc2OC)C(=O)CC)cc1	InChI=1S/C23H28O7/c1-5-18(25)15-7-9-20(22(11-15)27-3)29-13-17(24)14-30-21-10-8-16(19(26)6-2)12-23(21)28-4/h7-12,17,24H,5-6,13-14H2,1-4H3	C23H28O7	416.464	7	1	91.29	2	12	1	-1.2547	4.17708000000001	3.22	2.444	64.8445	117.3103	3.199	400.291104991663
Cond-005984	NPD6030	NPD6030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5360212992	CCOC(=O)c1ccc(C/C(=N/O)/c2c(O)cc(O)cc2)o1	InChI=1S/C15H15NO6/c1-2-21-15(19)14-6-4-10(22-14)8-12(16-20)11-5-3-9(17)7-13(11)18/h3-7,17-18,20H,2,8H2,1H3/b16-12-	C15H15NO6	305.283	7	3	112.49	2	6	0	-1.0002	2.18298	2.34	1.696	36.4606	81.6481	2.1559	266.766220193134
Cond-005985	NPD6031	NPD6031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.4852327339	Oc1c(cccc1)C(=O)/C=C/c1c2OCOCc2cc(Br)c1	InChI=1S/C17H13BrO4/c18-13-7-11(17-12(8-13)9-21-10-22-17)5-6-16(20)14-3-1-2-4-15(14)19/h1-8,19H,9-10H2/b6-5+	C17H13BrO4	361.187	4	1	55.76	3	3	0	0.234700000000001	3.41819	2.78	4.106	38.9375	87.3668	2.2439	277.071677411545
Cond-005986	NPD6032	NPD6032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.3517519912	CCc1cc(c2n[nH]cc2c2ccc(OC)cc2)c(O)cc1O	InChI=1S/C18H18N2O3/c1-3-11-8-14(17(22)9-16(11)21)18-15(10-19-20-18)12-4-6-13(23-2)7-5-12/h4-10,21-22H,3H2,1-2H3,(H,19,20)	C18H18N2O3	310.347	5	3	78.37	3	4	0	-1.0859	4.08198	2.89	3.245	26.0955	95.758	2.3507	277.387336775618
Cond-005987	NPD6033	NPD6033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	10.4510277295	CCOC(=O)c1c(C)c2c(o1)ccc(CC(=O)c1c(O)cc(O)cc1)c2	InChI=1S/C20H18O6/c1-3-25-20(24)19-11(2)15-8-12(4-7-18(15)26-19)9-16(22)14-6-5-13(21)10-17(14)23/h4-8,10,21,23H,3,9H2,1-2H3	C20H18O6	354.353	6	2	96.97	3	6	0	-0.400099999999999	3.42331	3	3.026	38.4278	99.0671	2.566	313.720007011902
Cond-005988	NPD6034	NPD6034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0052119763	Cc1cc2c(cc1C)c(=O)c(O)c(o2)c1c2OCOCc2cc(c1)C(=O)O	InChI=1S/C20H16O7/c1-9-3-13-15(4-10(9)2)27-19(17(22)16(13)21)14-6-11(20(23)24)5-12-7-25-8-26-18(12)14/h3-6,22H,7-8H2,1-2H3,(H,23,24)	C20H16O7	368.337	7	2	102.29	4	2	0	-0.2069	3.31171	2.89	3.88	48.6247	97.5061	2.5161	321.053775011663
Cond-005989	NPD6036	NPD6036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2993614765	Cc1cc(O)c(cc1C)C(=O)/C=C/c1cc2c(o1)cccc2	InChI=1S/C19H16O3/c1-12-9-16(18(21)10-13(12)2)17(20)8-7-15-11-14-5-3-4-6-19(14)22-15/h3-11,21H,1-2H3/b8-7+	C19H16O3	292.329	3	1	50.44	3	3	1	0.7669	3.80231	3.22	5.574	30.7774	89.0878	2.249	270.053342284351
Cond-005990	NPD6037	NPD6037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2417589856	CCc1cc2c(occ(c2=O)c2ccc(Cl)cc2)cc1O	InChI=1S/C17H13ClO3/c1-2-10-7-13-16(8-15(10)19)21-9-14(17(13)20)11-3-5-12(18)6-4-11/h3-9,19H,2H2,1H3	C17H13ClO3	300.736	3	1	46.53	3	2	0	-0.0758000000000003	4.88126	2.89	4.215	33.836	88.312	2.1326	264.20889950385
Cond-005991	NPD6038	NPD6038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.887998917	O=c1c(coc2c1cccc2)c1ccc2OCCOc2c1	InChI=1S/C17H12O4/c18-17-12-3-1-2-4-14(12)21-10-13(17)11-5-6-15-16(9-11)20-8-7-19-15/h1-6,9-10H,7-8H2	C17H12O4	280.275	4	0	44.76	4	1	0	-0.9517	3.86126	2.89	3.514	27.9679	82.891	1.9603	245.431599733178
Cond-005992	NPD6039	NPD6039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7887231786	CCOC(=O)c1c(c2cscn2)c(=O)c2c(o1)cc(O[C@H]1O[C@@H](COC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)cc2	InChI=1S/C29H29NO14S/c1-6-37-28(36)25-22(19-11-45-12-30-19)23(35)18-8-7-17(9-20(18)43-25)42-29-27(41-16(5)34)26(40-15(4)33)24(39-14(3)32)21(44-29)10-38-13(2)31/h7-9,11-12,21,24,26-27,29H,6,10H2,1-5H3/t21-,24-,26+,27-,29-/m0/s1	C29H29NO14S	647.604	15	0	217.39	4	15	2	-0.4311	2.70647	2.89	2.69	111.0509	153.8935	4.3294	559.845631711758
Cond-005993	NPD604	NPD604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7767111362	C(NC(=O)OCc1ccccc1)C(=O)OCC(OC(=O)CNC(=O)OCc1ccccc1)[C@H]1OC2OC(C)(C)O[C@H]2C1OC(=O)CNC(=O)OCc1ccccc1	InChI=1S/C39H43N3O15/c1-39(2)56-34-33(54-31(45)20-42-38(48)52-23-27-16-10-5-11-17-27)32(55-35(34)57-39)28(53-30(44)19-41-37(47)51-22-26-14-8-4-9-15-26)24-49-29(43)18-40-36(46)50-21-25-12-6-3-7-13-25/h3-17,28,32-35H,18-24H2,1-2H3,(H,40,46)(H,41,47)(H,42,48)/t28?,32-,33?,34+,35?/m1/s1	C39H43N3O15	793.77	18	3	221.58	5	26	3	-1.4934	1.58829000000001	3.77	7.402	113.5127	193.8921	5.59560000000001	713.914366226515
Cond-005994	NPD6040	NPD6040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.8231538097	CCCC(=O)Oc1c(c2ccc(o2)C(=O)OCC)c(=O)oc2c1cc(CC)c(OC)c2	InChI=1S/C23H24O8/c1-5-8-19(24)31-21-14-11-13(6-2)17(27-4)12-18(14)30-23(26)20(21)15-9-10-16(29-15)22(25)28-7-3/h9-12H,5-8H2,1-4H3	C23H24O8	428.432	8	0	101.27	3	10	0	-0.196099999999998	5.02785000000001	3.11	4.604	69.9367	118.1595	3.1061	394.088414290624
Cond-005995	NPD6041	NPD6041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0702827102	CCCc1cc2c(oc(=O)c(c3ccc(o3)C(=O)OCC)c2OC(=O)c2ccccc2)cc1OC	InChI=1S/C27H24O8/c1-4-9-17-14-18-22(15-21(17)31-3)34-27(30)23(19-12-13-20(33-19)26(29)32-5-2)24(18)35-25(28)16-10-7-6-8-11-16/h6-8,10-15H,4-5,9H2,1-3H3	C27H24O8	476.475	8	0	101.27	4	10	1	-0.475399999999999	5.16536000000001	3.55	7.097	59.9024	131.3515	3.4321	432.106517990891
Cond-005996	NPD6042	NPD6042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4962433158	[Na+].Oc1cc2c(cc1)c(=O)c(co2)c1cc2c(oc(c2)C(=O)[O-])cc1	InChI=1S/C18H10O6.Na/c19-11-2-3-12-15(7-11)23-8-13(17(12)20)9-1-4-14-10(5-9)6-16(24-14)18(21)22;/h1-8,19H,(H,21,22);/q;+1/p-1	C18H9NaO6	344.25	6	1	99.8	4	2	0	-2.1987	2.33066	2.78	2.221	24.4305	87.7703	2.1111	262.816891008167
Cond-005997	NPD6043	NPD6043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9619819047	[C@@H](NC(=O)OC(C)(C)C)(C(C)CC)C(=O)Oc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1	InChI=1S/C26H29NO7/c1-6-15(2)23(27-25(31)34-26(3,4)5)24(30)32-17-12-18(28)22-19(29)14-20(33-21(22)13-17)16-10-8-7-9-11-16/h7-15,23,28H,6H2,1-5H3,(H,27,31)/t15?,23-/m1/s1	C26H29NO7	467.511	8	2	111.16	3	10	1	-0.365800000000001	5.13986000000001	3.44	6.296	74.3543	132.0042	3.5269	445.54644297503
Cond-005998	NPD6044	NPD6044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.842219264	CC(=O)Oc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1	InChI=1S/C17H12O5/c1-10(18)21-12-7-13(19)17-14(20)9-15(22-16(17)8-12)11-5-3-2-4-6-11/h2-9,19H,1H3	C17H12O5	296.274	5	1	72.83	3	3	0	-1.0451	3.85626	2.78	3.903	30.817	85.4545	2.0846	263.941826433739
Cond-005999	NPD6045	NPD6045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.6232711356	[C@H](C)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c1c(cccc1)c(=O)o2	InChI=1S/C21H21NO6/c1-12(22-20(25)28-21(2,3)4)18(23)26-13-9-10-15-14-7-5-6-8-16(14)19(24)27-17(15)11-13/h5-12H,1-4H3,(H,22,25)/t12-/m1/s1	C21H21NO6	383.395	7	1	90.93	3	7	1	0.661599999999998	3.85198	3	5.433	50.0982	107.1022	2.8067	352.912751845935
Cond-006000	NPD6046	NPD6046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3376954491	[C@@H](NC(=O)OC(C)(C)C)(C(C)C)C(=O)Oc1cc2c(cc1)c1c(cccc1)c(=O)o2	InChI=1S/C23H25NO6/c1-13(2)19(24-22(27)30-23(3,4)5)21(26)28-14-10-11-16-15-8-6-7-9-17(15)20(25)29-18(16)12-14/h6-13,19H,1-5H3,(H,24,27)/t19-/m1/s1	C23H25NO6	411.448	7	1	90.93	3	8	1	1.1832	4.48808000000001	3.22	6.088	58.4673	116.2662	3.0885	387.504721097669
Cond-006001	NPD6048	NPD6048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4491099028	CSCCC(NC(=O)C)C(=O)Oc1ccc2ccc(=O)oc2c1	InChI=1S/C16H17NO5S/c1-10(18)17-13(7-8-23-2)16(20)21-12-5-3-11-4-6-15(19)22-14(11)9-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,18)	C16H17NO5S	335.375	6	1	107	2	8	0	-0.186600000000001	2.33397	2.45	2.941	60.1296	91.5917	2.4016	304.68100217604
Cond-006002	NPD6049	NPD6049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5867196137	COC(=O)c1ccc(Oc2coc3c(ccc(OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c3)c2=O)cc1	InChI=1S/C28H31NO9/c1-16(2)13-21(29-27(33)38-28(3,4)5)26(32)37-19-11-12-20-22(14-19)35-15-23(24(20)30)36-18-9-7-17(8-10-18)25(31)34-6/h7-12,14-16,21H,13H2,1-6H3,(H,29,33)	C28H31NO9	525.547	10	1	126.46	3	13	2	0.469099999999999	5.33926000000001	3.44	6.618	86.088	142.8467	3.8831	495.082406927086
Cond-006003	NPD605	NPD605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.1114977526	COc1ccc(cc1)c1cc(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C24H16O4/c1-26-17-9-7-16(8-10-17)18-12-24(25)28-23-13-22-20(11-19(18)23)21(14-27-22)15-5-3-2-4-6-15/h2-14H,1H3	C24H16O4	368.381	4	0	48.67	5	3	1	-0.1315	6.05947	3.66	6.884	24.25	112.484	2.666	321.801198610246
Cond-006004	NPD6050	NPD6050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.354752826	CCc1ccc(Oc2coc3c(ccc(OC(=O)CCNS(=O)(=O)c4ccc(C)cc4)c3)c2=O)cc1	InChI=1S/C27H25NO7S/c1-3-19-6-8-20(9-7-19)34-25-17-33-24-16-21(10-13-23(24)27(25)30)35-26(29)14-15-28-36(31,32)22-11-4-18(2)5-12-22/h4-13,16-17,28H,3,14-15H2,1-2H3	C27H25NO7S	507.555	8	1	116.38	4	10	1	-1.1043	5.72207	3.44	6.983	60.0195	134.2452	3.6367	452.822075556097
Cond-006005	NPD6051	NPD6051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.822725119	CSCCC(NC(=O)C)C(=O)Oc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1	InChI=1S/C22H21NO6S/c1-13(24)23-16(8-9-30-2)22(27)28-15-10-17(25)21-18(26)12-19(29-20(21)11-15)14-6-4-3-5-7-14/h3-7,10-12,16,25H,8-9H2,1-2H3,(H,23,24)	C22H21NO6S	427.47	7	2	127.23	3	9	0	-1.4205	3.45807	3	4.572	62.6953	117.7435	3.0681	386.081301828602
Cond-006006	NPD6052	NPD6052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3607544956	NC(=N)SCCNc1nc2c(N)ncnc2[nH]1	InChI=1S/C8H12N8S/c9-5-4-6(14-3-13-5)16-8(15-4)12-1-2-17-7(10)11/h3H,1-2H2,(H3,10,11)(H4,9,12,13,14,15,16)	C8H12N8S	252.299	8	7	167.68	2	5	0	-0.9351	0.49447	1.35	-0.653	36.7397	72.1602	1.7655	193.712230525067
Cond-006007	NPD6053	NPD6053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.3859344329	CC1C2CCC3C(C=CC4CC(CC[C@]34C)OC(=O)c3ccc(cc3)N(=O)=O)C2OC21CCC(C)CO2	InChI=1S/C30H39NO6/c1-18-12-15-30(35-17-18)19(2)24-10-11-26-25(27(24)37-30)9-6-21-16-23(13-14-29(21,26)3)36-28(32)20-4-7-22(8-5-20)31(33)34/h4-9,18-19,21,23-27H,10-17H2,1-3H3/t18?,19?,21?,23?,24?,25?,26?,27?,29-,30?/m0/s1	C30H39NO6	509.634	7	0	87.9	6	4	1	1.0264	6.07008000000001	3.99	7.46	103.9875	142.335	3.878	490.316613478736
Cond-006008	NPD6054	NPD6054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0429818822	NC(=N)NC(=O)c1c(nc[nH]1)C(=O)NC(=N)N	InChI=1S/C7H10N8O2/c8-6(9)14-4(16)2-3(13-1-12-2)5(17)15-7(10)11/h1H,(H,12,13)(H4,8,9,14,16)(H4,10,11,15,17)	C7H10N8O2	238.207	10	9	186.62	1	6	1	-1.6064	-2.85727	1.13	-1.42	35.5824	60.8021	1.6441	196.107675242723
Cond-006009	NPD6055	NPD6055	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4779675549	[C@H]12CCCC(=O)[C@H]1Nc1c2cc(cc1)C1CCCCC1	InChI=1S/C18H23NO/c20-17-8-4-7-14-15-11-13(12-5-2-1-3-6-12)9-10-16(15)19-18(14)17/h9-12,14,18-19H,1-8H2/t14-,18+/m1/s1	C18H23NO	269.381	2	1	29.1	4	1	1	-1.8039	4.59889	3.22	5.36	47.1254	84.5207	2.1969	268.799499268729
Cond-006010	NPD6056	NPD6056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0682746328	[C@@H]12CCC(C3(C)OCCO3)[C@@]1(C)C[C@@H](O)C1C2CC[C@@H]2CC3(C/C(=N\O)/[C@]12C)OCCO3	InChI=1S/C25H39NO6/c1-22-13-18(27)21-16(17(22)6-7-19(22)24(3)29-8-9-30-24)5-4-15-12-25(31-10-11-32-25)14-20(26-28)23(15,21)2/h15-19,21,27-28H,4-14H2,1-3H3/b26-20+/t15-,16?,17+,18-,19?,21?,22+,23-/m1/s1	C25H39NO6	449.58	7	2	89.74	6	1	0	-0.278600000000004	3.93289000000001	3.44	3.216	114.1415	118.5745	3.3885	427.918983853403
Cond-006011	NPD6057	NPD6057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6553552492	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(=CC=C4C(=O)C)C3CC=C2C1	InChI=1S/C23H30O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7-8,17-18,21H,6,9-13H2,1-4H3/t17?,18?,21?,22-,23+/m0/s1	C23H30O3	354.482	3	0	43.37	4	3	0	1.1241	4.93876000000001	3.66	4.664	103.3959	103.813	2.876	370.126656890219
Cond-006012	NPD6058	NPD6058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.210893256	[C@H](C)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c(C)cc(=O)o2	InChI=1S/C18H21NO6/c1-10-8-15(20)24-14-9-12(6-7-13(10)14)23-16(21)11(2)19-17(22)25-18(3,4)5/h6-9,11H,1-5H3,(H,19,22)/t11-/m1/s1	C18H21NO6	347.362	7	1	90.93	2	7	0	1.4691	3.37947	2.67	3.503	64.6237	94.4367	2.5786	329.554174070735
Cond-006013	NPD606	NPD606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.7396197862	CCOc1cc(c/c(=N\c2ccc(C)cc2C)/c2c(C)oc(C)c12)c1ccc(O)cc1	InChI=1S/C27H27NO3/c1-6-30-25-15-21(20-8-10-22(29)11-9-20)14-24(26-18(4)31-19(5)27(25)26)28-23-12-7-16(2)13-17(23)3/h7-15,29H,6H2,1-5H3/b28-24+	C27H27NO3	413.508	4	1	54.96	4	4	1	1.8281	5.63105000000001	3.99	6.932	63.5353	125.399	3.2814	401.788603397052
Cond-006014	NPD6060	NPD6060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.1369328309	CCOc1ccc(Oc2c(C)[nH]nc2c2c(O)cc(O)cc2)cc1	InChI=1S/C18H18N2O4/c1-3-23-13-5-7-14(8-6-13)24-18-11(2)19-20-17(18)15-9-4-12(21)10-16(15)22/h4-10,21-22H,3H2,1-2H3,(H,19,20)	C18H18N2O4	326.347	6	3	87.6	3	5	0	-0.857	4.6047	2.78	3.408	27.3904	95.7818	2.4094	286.177563476179
Cond-006015	NPD6061	NPD6061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.9598835766	CCOc1ccc(Oc2c(C)[nH]nc2c2c(O)cc(OC)cc2)cc1	InChI=1S/C19H20N2O4/c1-4-24-13-5-7-14(8-6-13)25-19-12(2)20-21-18(19)16-10-9-15(23-3)11-17(16)22/h5-11,22H,4H2,1-3H3,(H,20,21)	C19H20N2O4	340.373	6	2	76.6	3	6	0	-0.448499999999999	4.9077	2.89	3.927	32.1416	100.669	2.5503	303.473548102046
Cond-006016	NPD6062	NPD6062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0364161458	[C@H](C)(NC(=O)OCc1ccccc1)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C26H21NO7/c1-17(27-26(30)32-15-18-8-4-2-5-9-18)25(29)34-20-12-13-21-22(14-20)31-16-23(24(21)28)33-19-10-6-3-7-11-19/h2-14,16-17H,15H2,1H3,(H,27,30)/t17-/m1/s1	C26H21NO7	459.447	8	1	100.16	4	10	1	-1.3413	4.58866	3.44	7.444	46.4904	127.3632	3.28930000000001	414.38060817183
Cond-006017	NPD6063	NPD6063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2673901762	CC(C)(C)OC(=O)NCCC(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C23H23NO7/c1-23(2,3)31-22(27)24-12-11-20(25)30-16-9-10-17-18(13-16)28-14-19(21(17)26)29-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)	C23H23NO7	425.431	8	1	100.16	3	10	1	-0.167099999999998	4.52806000000001	3.11	5.468	61.3186	117.7482	3.1042	393.65848909743
Cond-006018	NPD6064	NPD6064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.893910336	[C@H](CC(C)C)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C26H29NO7/c1-16(2)13-20(27-25(30)34-26(3,4)5)24(29)33-18-11-12-19-21(14-18)31-15-22(23(19)28)32-17-9-7-6-8-10-17/h6-12,14-16,20H,13H2,1-5H3,(H,27,30)/t20-/m1/s1	C26H29NO7	467.511	8	1	100.16	3	11	2	0.457900000000001	5.55266000000001	3.44	7.271	74.0996	131.5072	3.5269	445.54644297503
Cond-006019	NPD6065	NPD6065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.440536089	[C@@H](NC(=O)OCc1ccccc1)(C(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C28H25NO7/c1-18(2)25(29-28(32)34-16-19-9-5-3-6-10-19)27(31)36-21-13-14-22-23(15-21)33-17-24(26(22)30)35-20-11-7-4-8-12-20/h3-15,17-18,25H,16H2,1-2H3,(H,29,32)/t25-/m1/s1	C28H25NO7	487.501	8	1	100.16	4	11	2	-0.819700000000002	5.22476000000001	3.66	8.099	54.8595	136.5272	3.57110000000001	448.972577423563
Cond-006020	NPD6066	NPD6066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.4442138038	[C@H](CCSC)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)co2	InChI=1S/C25H27NO7S/c1-25(2,3)33-24(29)26-19(12-13-34-4)23(28)32-17-10-11-18-20(14-17)30-15-21(22(18)27)31-16-8-6-5-7-9-16/h5-11,14-15,19H,12-13H2,1-4H3,(H,26,29)/t19-/m1/s1	C25H27NO7S	485.549	8	1	125.46	3	12	2	0.0459000000000003	5.25966000000001	3.22	6.807	76.494	135.0512	3.5495	446.759482406763
Cond-006021	NPD6067	NPD6067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.2659461655	[C@@H](NC(=O)OC(C)(C)C)(C(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C26H29NO7/c1-15(2)21(27-25(30)34-26(4,5)6)24(29)33-18-12-13-19-20(14-18)31-16(3)23(22(19)28)32-17-10-8-7-9-11-17/h7-15,21H,1-6H3,(H,27,30)/t21-/m1/s1	C26H29NO7	467.511	8	1	100.16	3	10	1	0.715999999999998	5.55266000000001	3.44	6.727	75.4663	131.5072	3.5269	445.54644297503
Cond-006022	NPD6068	NPD6068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8178064574	[C@H](CCSC)(NC(=O)OC(C)(C)C)C(=O)Oc1cc2c(cc1)c(=O)c(Oc1ccccc1)c(C)o2	InChI=1S/C26H29NO7S/c1-16-23(32-17-9-7-6-8-10-17)22(28)19-12-11-18(15-21(19)31-16)33-24(29)20(13-14-35-5)27-25(30)34-26(2,3)4/h6-12,15,20H,13-14H2,1-5H3,(H,27,30)/t20-/m1/s1	C26H29NO7S	499.576	8	1	125.46	3	12	2	0.5596	5.64976000000001	3.33	7.043	82.3125	139.6682	3.6904	464.05546703263
Cond-006023	NPD6069	NPD6069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4112271835	COc1ccc(cc1OC)C1C2=C(O)c3c(cccc3)C2=NC2=C1C(=O)CCC2	InChI=1S/C24H21NO4/c1-28-18-11-10-13(12-19(18)29-2)20-21-16(8-5-9-17(21)26)25-23-14-6-3-4-7-15(14)24(27)22(20)23/h3-4,6-7,10-12,20,27H,5,8-9H2,1-2H3	C24H21NO4	387.428	5	1	68.12	5	3	0	-0.870100000000001	4.45516	3.55	3.272	61.271	113.4248	2.8518	359.870876220013
Cond-006024	NPD607	NPD607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.8156737691	Cc1cc(=O)oc2cc(C)c(NC(=O)c3cc(c(Cl)cc3)N(=O)=O)cc12	InChI=1S/C18H13ClN2O5/c1-9-6-17(22)26-16-5-10(2)14(8-12(9)16)20-18(23)11-3-4-13(19)15(7-11)21(24)25/h3-8H,1-2H3,(H,20,23)	C18H13ClN2O5	372.759	7	1	98.54	3	4	0	2.128	4.91659	2.56	4.011	43.2664	102.0522	2.5045	315.805940545573
Cond-006025	NPD6070	NPD6070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3229845897	COc1n/c(=N/C(=N\C(=O)C)/NC(=O)C)/[nH]c2c1cc(C)cc2	InChI=1S/C15H17N5O3/c1-8-5-6-12-11(7-8)13(23-4)19-15(18-12)20-14(16-9(2)21)17-10(3)22/h5-7H,1-4H3,(H2,16,17,18,19,20,21,22)	C15H17N5O3	315.327	8	2	104.51	2	5	0	-1.2708	0.85468	2.23	1.438	56.2788	92.3064	2.336	292.646122223318
Cond-006026	NPD6072	NPD6072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7759075833	CC(=O)C1C(/C=C/c2ccccc2)C(C(=O)C)C(C)(O)CC1=O	InChI=1S/C19H22O4/c1-12(20)17-15(10-9-14-7-5-4-6-8-14)18(13(2)21)19(3,23)11-16(17)22/h4-10,15,17-18,23H,11H2,1-3H3/b10-9+	C19H22O4	314.376	4	1	71.44	2	4	0	-0.898400000000003	2.50138	3.11	3.668	63.1708	89.7368	2.5023	318.272945087312
Cond-006027	NPD6073	NPD6073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2544617676	COc1ccc(cc1)/C(=C\1/C(=O)C(=O)OC21C(=O)c1ccccc1C2=O)/O	InChI=1S/C20H12O7/c1-26-11-8-6-10(7-9-11)15(21)14-16(22)19(25)27-20(14)17(23)12-4-2-3-5-13(12)18(20)24/h2-9,21H,1H3/b15-14+	C20H12O7	364.305	7	1	106.97	4	2	0	-1.5101	1.95938	2.89	3.055	42.6525	93.6568	2.4301	315.780857610062
Cond-006028	NPD6074	NPD6074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.2034475756	CC1CC2(CCCCC2)[NH+]c2ccc(I)cc12	InChI=1S/C15H20IN/c1-11-10-15(7-3-2-4-8-15)17-14-6-5-12(16)9-13(11)14/h5-6,9,11,17H,2-4,7-8,10H2,1H3/p+1	C15H20IN+	341.23	1	2	16.61	3	0	1	-0.4657	5.72749	2.89	5.427	47.2883	82.8354	2.1468	249.709267112833
Cond-006029	NPD6075	NPD6075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.552063356	CCOC(=O)c1ccc(NC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1	InChI=1S/C21H18N2O5/c1-2-28-21(27)13-6-8-14(9-7-13)22-19(25)16-18(24)15-5-3-4-12-10-11-23(17(12)15)20(16)26/h3-9,26H,2,10-11H2,1H3,(H,22,25)	C21H18N2O5	378.378	7	2	95.94	4	6	0	-0.1914	3.25207	3	4.72	50.5488	105.681	2.6962	340.126367951941
Cond-006030	NPD6076	NPD6076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0647097313	CCCOC(=O)c1ccc(NC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1	InChI=1S/C22H20N2O5/c1-2-12-29-22(28)14-6-8-15(9-7-14)23-20(26)17-19(25)16-5-3-4-13-10-11-24(18(13)16)21(17)27/h3-9,27H,2,10-12H2,1H3,(H,23,26)	C22H20N2O5	392.405	7	2	95.94	4	7	1	-0.769200000000001	3.64217	3.11	5.078	54.0808	110.298	2.8371	357.422352577807
Cond-006031	NPD6077	NPD6077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9727894226	Cc1cnc(NC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1	InChI=1S/C18H15N3O3/c1-10-5-6-13(19-9-10)20-17(23)14-16(22)12-4-2-3-11-7-8-21(15(11)12)18(14)24/h2-6,9,24H,7-8H2,1H3,(H,19,20,23)	C18H15N3O3	321.33	6	2	82.53	4	3	0	0.189	3.36398	2.78	3.955	39.7687	91.624	2.2989	284.291179582185
Cond-006032	NPD6078	NPD6078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8049908621	Cc1cccc(NC(=O)c2c(O)n3CCc4cccc(c34)c2=O)n1	InChI=1S/C18H15N3O3/c1-10-4-2-7-13(19-10)20-17(23)14-16(22)12-6-3-5-11-8-9-21(15(11)12)18(14)24/h2-7,24H,8-9H2,1H3,(H,19,20,23)	C18H15N3O3	321.33	6	2	82.53	4	3	0	-0.0135000000000004	3.82388	2.78	4.34	39.9991	92.931	2.2989	284.291179582185
Cond-006033	NPD6079	NPD6079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5703391169	NNC(=O)c1c(O)n2CCc3cccc(c23)c1=O	InChI=1S/C12H11N3O3/c13-14-11(17)8-10(16)7-3-1-2-6-4-5-15(9(6)7)12(8)18/h1-3,18H,4-5,13H2,(H,14,17)	C12H11N3O3	245.234	6	4	95.66	3	2	0	-1.0485	0.69207	2.12	2.267	39.5507	67.2044	1.6911	211.681106630184
Cond-006034	NPD608	NPD608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6869735189	Cc1c(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C(F)(F)F)c(=O)oc2c1cc1CCCN3CCCc2c13	InChI=1S/C28H22F3N3O5/c1-14-19-11-15-5-3-9-33-10-4-8-18(22(15)33)23(19)39-26(37)20(14)13-21-24(35)32-27(38)34(25(21)36)17-7-2-6-16(12-17)28(29,30)31/h2,6-7,11-13H,3-5,8-10H2,1H3,(H,32,35,38)	C28H22F3N3O5	537.487	8	1	96.02	6	3	0	0.708299999999999	5.49734000000001	3.33	4.722	82.9073	138.1197	3.5322	460.411862288894
Cond-006035	NPD6080	NPD6080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5774689199	C[C@]12C[C@H](CC(C)(C)C1)N(Cc1c(O)ccc3ccccc13)C2	InChI=1S/C21H27NO/c1-20(2)10-16-11-21(3,13-20)14-22(16)12-18-17-7-5-4-6-15(17)8-9-19(18)23/h4-9,16,23H,10-14H2,1-3H3/t16-,21-/m0/s1	C21H27NO	309.445	2	1	23.47	4	2	1	1.2931	5.03180000000001	3.55	6.252	54.364	97.4790000000001	2.5766	307.15099444553
Cond-006036	NPD6081	NPD6081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	73.0218180998	COC(Cn1c2c(cccc2)c2c1cccc2)OC	InChI=1S/C16H17NO2/c1-18-16(19-2)11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16H,11H2,1-2H3	C16H17NO2	255.312	3	0	23.39	3	4	0	0.0534000000000001	3.81859	2.89	4.111	25.4193	78.291	1.9964	228.281298016756
Cond-006037	NPD6082	NPD6082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2722862751	[C@@H]1(Cc2c[nH]c3c2cccc3)NC(=O)N(C2CCS(=O)(=O)C2)C1=O	InChI=1S/C16H17N3O4S/c20-15-14(7-10-8-17-13-4-2-1-3-12(10)13)18-16(21)19(15)11-5-6-24(22,23)9-11/h1-4,8,11,14,17H,5-7,9H2,(H,18,21)/t11?,14-/m0/s1	C16H17N3O4S	347.389	7	2	107.72	4	3	0	-2.0067	1.41998	2.34	1.578	50.7478	92.5987	2.3683	284.907837191012
Cond-006038	NPD6084	NPD6084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.5604341057	CC1CC2(CCCCC2)c2c1c1c(cc(C)[nH]1)cc2	InChI=1S/C18H23N/c1-12-11-18(8-4-3-5-9-18)15-7-6-14-10-13(2)19-17(14)16(12)15/h6-7,10,12,19H,3-5,8-9,11H2,1-2H3	C18H23N	253.382	1	1	15.79	4	0	1	-0.635300000000002	4.88302000000001	3.33	6.6	43.4085	81.4730000000001	2.1382	249.109272568168
Cond-006039	NPD6085	NPD6085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6712844927	C1CCC2(C1)C[C@H]1CC(N2O1)c1ccccc1	InChI=1S/C15H19NO/c1-2-6-12(7-3-1)14-10-13-11-15(16(14)17-13)8-4-5-9-15/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14?/m1/s1	C15H19NO	229.317	2	0	12.47	4	1	0	-0.6238	2.6968	2.89	4.301	35.7061	66.5990000000001	1.8172	219.548004091928
Cond-006040	NPD6086	NPD6086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6081090228	COc1cc(OC)cc(/C=C/C(=O)NCCNC(=O)c2ccccc2)c1	InChI=1S/C20H22N2O4/c1-25-17-12-15(13-18(14-17)26-2)8-9-19(23)21-10-11-22-20(24)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,21,23)(H,22,24)/b9-8+	C20H22N2O4	354.4	6	2	76.66	2	10	0	-0.9889	2.31438	3	3.786	49.1825	102.5459	2.7568	341.389532727913
Cond-006041	NPD6087	NPD6087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5070508337	O=C1OCCC1Sc1nc(=O)c2c([nH]1)cccc2	InChI=1S/C12H10N2O3S/c15-10-7-3-1-2-4-8(7)13-12(14-10)18-9-5-6-17-11(9)16/h1-4,9H,5-6H2,(H,13,14,15)	C12H10N2O3S	262.284	5	1	93.06	3	2	0	-0.6619	2.12317	2.12	2.122	38.473	72.8647	1.7548	219.193370479617
Cond-006042	NPD6088	NPD6088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.4427697931	C[C@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)ON5C(=O)CCC5=O)/C=C[C@]4(C)C3CC[C@]12C	InChI=1S/C26H34N2O6/c1-24-11-8-17(27-33-15-23(31)34-28-21(29)6-7-22(28)30)14-16(24)4-5-18-19(24)9-12-25(2)20(18)10-13-26(25,3)32/h8,11,14,18-20,32H,4-7,9-10,12-13,15H2,1-3H3/b27-17-/t18?,19?,20?,24-,25-,26-/m0/s1	C26H34N2O6	470.558	8	1	105.5	5	5	0	0.296499999999999	3.27976	3.44	3.771	124.1561	128.7088	3.5228	455.385893884236
Cond-006043	NPD6089	NPD6089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2055459037	CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)O	InChI=1S/C18H24N2O6S/c1-27-8-7-14(16(22)20-10-13(21)9-15(20)17(23)24)19-18(25)26-11-12-5-3-2-4-6-12/h2-6,13-15,21H,7-11H2,1H3,(H,19,25)(H,23,24)/t13?,14-,15?/m0/s1	C18H24N2O6S	396.458	8	3	141.47	2	11	1	-1.6318	0.339389999999999	2.45	2.561	69.5117	102.4083	2.8849	361.696417037302
Cond-006044	NPD609	NPD609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8304482912	CC(=O)O/N=C(\C)/CC/C=C(\C)/CCC1C(=CCC2C(C)(C)CCC[C@@]12C)C	InChI=1S/C25H41NO2/c1-18(10-8-11-20(3)26-28-21(4)27)12-14-22-19(2)13-15-23-24(5,6)16-9-17-25(22,23)7/h10,13,22-23H,8-9,11-12,14-17H2,1-7H3/b18-10+,26-20+/t22?,23?,25-/m0/s1	C25H41NO2	387.599	3	0	38.66	2	8	1	3.08369999999999	7.46686000000001	3.88	9.057	118.0775	123.054	3.4591	434.274535751959
Cond-006045	NPD6090	NPD6090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7254348954	C[C@]12CCC3C(CCC4=C/C(=N/OCC(=O)NC(CC(=O)O)C5CCOC(C)(C)C5)/CC[C@]34C)C1CCC2O	InChI=1S/C31H48N2O6/c1-29(2)17-19(11-14-38-29)25(16-28(36)37)32-27(35)18-39-33-21-9-12-30(3)20(15-21)5-6-22-23-7-8-26(34)31(23,4)13-10-24(22)30/h15,19,22-26,34H,5-14,16-18H2,1-4H3,(H,32,35)(H,36,37)/b33-21+/t19?,22?,23?,24?,25?,26?,30-,31-/m0/s1	C31H48N2O6	544.723	8	3	117.45	5	8	0	-0.9065	5.15717000000001	3.99	4.647	142.6633	153.1663	4.3133	547.138734415169
Cond-006046	NPD6091	NPD6091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.8859005889	CC(=O)C1(O)CCC2C3CCC4=C/C(=N/OCC(=O)NCc5ccco5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C28H38N2O5/c1-18(31)28(33)13-10-24-22-7-6-19-15-20(8-11-26(19,2)23(22)9-12-27(24,28)3)30-35-17-25(32)29-16-21-5-4-14-34-21/h4-5,14-15,22-24,33H,6-13,16-17H2,1-3H3,(H,29,32)/b30-20+/t22?,23?,24?,26-,27-,28?/m0/s1	C28H38N2O5	482.612	7	2	101.13	5	7	0	-0.658300000000004	4.50237000000001	3.77	3.927	114.3648	138.0795	3.7459	470.287636435409
Cond-006047	NPD6092	NPD6092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8859908396	CC(=O)C1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NC(CC(=O)O)C5CCOC(C)(C)C5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C33H50N2O7/c1-20(36)33(40)14-10-26-24-7-6-22-16-23(8-12-31(22,4)25(24)9-13-32(26,33)5)35-42-19-28(37)34-27(17-29(38)39)21-11-15-41-30(2,3)18-21/h16,21,24-27,40H,6-15,17-19H2,1-5H3,(H,34,37)(H,38,39)/b35-23-/t21?,24?,25?,26?,27?,31-,32-,33?/m0/s1	C33H50N2O7	586.759	9	3	134.52	5	9	0	-0.8513	5.11637000000001	4.1	4.047	153.879	162.7903	4.6108	587.884471666663
Cond-006048	NPD6093	NPD6093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.3223302723	COc1cc2c(CN(CC2)c2nc(nc3cc(OC)c(OC)cc23)c2ccccc2)cc1OC	InChI=1S/C27H27N3O4/c1-31-22-12-18-10-11-30(16-19(18)13-23(22)32-2)27-20-14-24(33-3)25(34-4)15-21(20)28-26(29-27)17-8-6-5-7-9-17/h5-9,12-15H,10-11,16H2,1-4H3	C27H27N3O4	457.521	7	0	65.94	5	6	1	0.0848000000000009	5.41318	3.66	5.338	46.0374	134.588	3.4311	409.315891813147
Cond-006049	NPD6094	NPD6094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.1982130367	COc1cc2c([nH]cc2/C=C/C(=O)c2cc(OC)c(OC)cc2)cc1	InChI=1S/C20H19NO4/c1-23-15-6-7-17-16(11-15)14(12-21-17)4-8-18(22)13-5-9-19(24-2)20(10-13)25-3/h4-12,21H,1-3H3/b8-4+	C20H19NO4	337.369	5	1	60.55	3	6	0	-0.478499999999999	3.79877	3.11	3.124	40.8369	101.194	2.5484	307.136313818946
Cond-006050	NPD6096	NPD6096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	14.1463859265	COc1cc2c([nH]cc2/C=C/C(=O)c2ccc(Br)cc2)cc1	InChI=1S/C18H14BrNO2/c1-22-15-7-8-17-16(10-15)13(11-20-17)4-9-18(21)12-2-5-14(19)6-3-12/h2-11,20H,1H3/b9-4+	C18H14BrNO2	356.213	3	1	42.09	3	4	0	0.5139	4.54407	3	4.446	34.8044	95.79	2.3242	274.247510143656
Cond-006051	NPD6097	NPD6097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2667031264	Cc1nc2c([nH]c3c2cccc3)c(=O)n1/N=C/C1=CC2CC(C1)C2(C)C	InChI=1S/C21H22N4O/c1-12-23-18-16-6-4-5-7-17(16)24-19(18)20(26)25(12)22-11-13-8-14-10-15(9-13)21(14,2)3/h4-8,11,14-15,24H,9-10H2,1-3H3/b22-11+	C21H22N4O	346.426	5	1	60.82	4	2	1	0.1848	4.76735000000001	3.22	5.623	68.6344	110.251	2.6384	319.87544026683
Cond-006052	NPD6098	NPD6098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3878406709	CC(C)NC(=O)Nc1c([nH]c2c1cccc2)C(=O)O	InChI=1S/C13H15N3O3/c1-7(2)14-13(19)16-10-8-5-3-4-6-9(8)15-11(10)12(17)18/h3-7,15H,1-2H3,(H,17,18)(H2,14,16,19)	C13H15N3O3	261.276	6	4	94.22	2	5	0	-1.2357	2.28768	2.23	2.273	35.6572	77.0432	1.9406	230.43354995685
Cond-006053	NPD6099	NPD6099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.166621092	CCC1(CC)C(OC(=O)C(C)(C)C1=O)C(=O)c1ccc(Br)cc1	InChI=1S/C18H21BrO4/c1-5-18(6-2)14(23-16(22)17(3,4)15(18)21)13(20)11-7-9-12(19)10-8-11/h7-10,14H,5-6H2,1-4H3	C18H21BrO4	381.261	4	0	60.44	2	4	0	1.2712	4.19279	2.89	4.18	65.8518	93.3985	2.5794	322.897038139812
Cond-006054	NPD61	NPD61	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6497417043	COc1cc(CC2(CN3C[C@H]4CC(C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1	InChI=1S/C33H36N4O5S/c1-34-30(39)33(31(40)35(2)32(34)43,21-36-17-24-14-25(19-36)26-10-7-11-29(38)37(26)18-24)16-23-12-13-27(28(15-23)41-3)42-20-22-8-5-4-6-9-22/h4-13,15,24-25H,14,16-21H2,1-3H3/t24-,25?/m1/s1	C33H36N4O5S	600.728	9	0	114.72	6	8	0	-0.621800000000004	2.99917000000001	3.99	3.415	119.6276	166.963	4.4469	558.194893133074
Cond-006055	NPD610	NPD610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.049122463	CCCCCCO[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C	InChI=1S/C20H33NO9/c1-6-7-8-9-10-26-20-17(21-12(2)22)19(29-15(5)25)18(28-14(4)24)16(30-20)11-27-13(3)23/h16-20H,6-11H2,1-5H3,(H,21,22)/t16-,17-,18-,19-,20-/m1/s1	C20H33NO9	431.477	10	1	126.46	1	15	1	-2.3236	1.47329	2.56	2.023	94.991	107.3437	3.2741	421.682658227352
Cond-006056	NPD6100	NPD6100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6677604594	CCCCc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2	InChI=1S/C15H22N4O/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19)	C15H22N4O	274.361	5	3	76.82	3	3	0	-0.666600000000001	3.12817	2.56	2.818	48.5497	82.2844	2.1822	251.358284716428
Cond-006057	NPD6101	NPD6101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.1670768389	[O-]C(=O)c1cc(ccc1)N1C(=O)/C(=C\c2ccccc2)/[NH+]=C1c1ccccc1	InChI=1S/C23H16N2O3/c26-22-20(14-16-8-3-1-4-9-16)24-21(17-10-5-2-6-11-17)25(22)19-13-7-12-18(15-19)23(27)28/h1-15H,(H,27,28)/b20-14+	C23H16N2O3	368.385	5	1	74.41	4	4	1	-3.0755	2.78217	3.44	8.16	25.5279	109.3937	2.7316	338.328507700152
Cond-006058	NPD6102	NPD6102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6974751618	COc1ccc(NC(=O)CC(c2ccccc2)c2ccc(OC(C)C)cc2)cc1	InChI=1S/C25H27NO3/c1-18(2)29-23-13-9-20(10-14-23)24(19-7-5-4-6-8-19)17-25(27)26-21-11-15-22(28-3)16-12-21/h4-16,18,24H,17H2,1-3H3,(H,26,27)	C25H27NO3	389.487	4	1	47.56	3	9	1	-0.8846	6.46038	3.77	8.126	39.9006	119.2907	3.15120000000001	382.189551546919
Cond-006059	NPD6103	NPD6103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9894266703	COc1ccc(NC(=O)CC(c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1	InChI=1S/C26H29NO4/c1-18(2)31-22-13-9-19(10-14-22)24(23-7-5-6-8-25(23)30-4)17-26(28)27-20-11-15-21(29-3)16-12-20/h5-16,18,24H,17H2,1-4H3,(H,27,28)	C26H29NO4	419.513	5	1	56.79	3	10	1	-0.936399999999998	7.02448000000001	3.77	6.627	47.2164	128.1697	3.3508	408.275762873347
Cond-006060	NPD6104	NPD6104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.5112569501	[C@@H]12Cc3c(c(C)nn3C(=O)c3c(OC)nc(OC)cc3)[C@@H]1C2(C)C	InChI=1S/C18H21N3O3/c1-9-14-12(8-11-15(14)18(11,2)3)21(20-9)17(22)10-6-7-13(23-4)19-16(10)24-5/h6-7,11,15H,8H2,1-5H3/t11-,15-/m1/s1	C18H21N3O3	327.378	6	0	66.24	4	4	0	0.641900000000001	3.141	2.78	3.362	53.5929	92.022	2.4279	292.200555684585
Cond-006061	NPD6105	NPD6105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5257497038	[C@@H]12CC(=C(/C(=N\CC/N=C(\C)/C3=C(O)C[C@H]4C(C)(C)[C@@H]34)/C)[C@@H]1C2(C)C)O	InChI=1S/C22H32N2O2/c1-11(17-15(25)9-13-19(17)21(13,3)4)23-7-8-24-12(2)18-16(26)10-14-20(18)22(14,5)6/h13-14,19-20,25-26H,7-10H2,1-6H3/b23-11-,24-12+/t13-,14-,19-,20-/m1/s1	C22H32N2O2	356.502	4	2	65.18	4	5	0	0.6832	4.63427	3.44	3.364	106.0884	106.2926	2.919	368.670424680925
Cond-006062	NPD6106	NPD6106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.7787804211	[C@@H]12CC(=C([C@@H]1C2(C)C)/C(=N/c1ccccc1O)/C)O	InChI=1S/C16H19NO2/c1-9(17-11-6-4-5-7-12(11)18)14-13(19)8-10-15(14)16(10,2)3/h4-7,10,15,18-19H,8H2,1-3H3/b17-9+/t10-,15-/m1/s1	C16H19NO2	257.328	3	2	52.82	3	2	0	0.0939000000000001	4.16707	2.89	3.325	51.0834	78.8728000000001	2.0394	252.717756717556
Cond-006063	NPD6108	NPD6108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9711967915	CCOC(=O)C1C(c2ccco2)C(=C(O)CC1(C)O)C(=O)OCC	InChI=1S/C17H22O7/c1-4-22-15(19)12-10(18)9-17(3,21)14(16(20)23-5-2)13(12)11-7-6-8-24-11/h6-8,13-14,18,21H,4-5,9H2,1-3H3	C17H22O7	338.352	7	2	106.2	2	7	0	-0.4407	2.23248	2.56	1.995	67.7543	86.0736	2.4826	315.324573338862
Cond-006064	NPD6109	NPD6109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.05414274	CC1=C2C(CCC1NC1=CC(=O)CCC1)C2(C)C	InChI=1S/C16H23NO/c1-10-14(8-7-13-15(10)16(13,2)3)17-11-5-4-6-12(18)9-11/h9,13-14,17H,4-8H2,1-3H3	C16H23NO	245.36	2	1	29.1	3	2	0	0.651599999999998	3.43407	3	2.13	71.676	75.7727	2.0667	260.100447418595
Cond-006065	NPD611	NPD611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.0429172104	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCc3c(OC)cccc3)ccc12	InChI=1S/C25H22O5/c1-16-22(29-15-18-6-4-5-7-23(18)28-3)13-12-20-21(14-24(26)30-25(16)20)17-8-10-19(27-2)11-9-17/h4-14H,15H2,1-3H3	C25H22O5	402.439	5	0	53.99	4	6	1	0.470299999999999	5.98499	3.66	5.936	41.7801	121.256	3.0172	373.780327338274
Cond-006066	NPD6110	NPD6110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5566493483	COc1cc2c(cc1OC)/C(=N\N=C/1\NC(C)(C)Cc3c1cc(OC)c(OC)c3)/NC(C)(C)C2	InChI=1S/C26H34N4O4/c1-25(2)13-15-9-19(31-5)21(33-7)11-17(15)23(27-25)29-30-24-18-12-22(34-8)20(32-6)10-16(18)14-26(3,4)28-24/h9-12H,13-14H2,1-8H3,(H,27,29)(H,28,30)	C26H34N4O4	466.573	8	2	85.7	4	5	1	0.670199999999999	3.47338000000001	3.44	5.122	83.7056	135.6334	3.6276	445.082502198647
Cond-006067	NPD6111	NPD6111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4731565035	CC(C)COC(=O)c1cc(O)nc2c1cccc2	InChI=1S/C14H15NO3/c1-9(2)8-18-14(17)11-7-13(16)15-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,15,16)	C14H15NO3	245.274	4	1	59.42	2	4	0	0.0330999999999999	3.12678	2.56	3.201	27.8363	72.5908	1.8819	225.736014166384
Cond-006068	NPD6112	NPD6112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5907392216	COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3c2cccc3)cc1	InChI=1S/C18H14N2O4/c1-24-18(23)11-6-8-12(9-7-11)19-17(22)14-10-16(21)20-15-5-3-2-4-13(14)15/h2-10H,1H3,(H,19,22)(H,20,21)	C18H14N2O4	322.315	6	2	84.5	3	5	0	-1.0929	2.83317	2.78	3.095	35.8948	91.6624	2.3234	291.804646074579
Cond-006069	NPD6113	NPD6113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3017044937	OC(CCl)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C14H19ClN2O2/c15-5-12(18)9-16-6-10-4-11(8-16)13-2-1-3-14(19)17(13)7-10/h1-3,10-12,18H,4-9H2/t10-,11-,12?/m0/s1	C14H19ClN2O2	282.766	4	1	43.78	3	3	0	-0.497699999999999	0.90637	2.45	0.0809999999999998	75.8394	76.4028	2.0658	260.506532846023
Cond-006070	NPD6114	NPD6114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9476802479	C=CCNC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C15H19N3OS/c1-2-6-16-15(20)17-8-11-7-12(10-17)13-4-3-5-14(19)18(13)9-11/h2-5,11-12H,1,6-10H2,(H,16,20)/t11-,12-/m0/s1	C15H19N3OS	289.396	4	1	67.67	3	4	0	0.222800000000002	1.29336	2.56	1.348	84.7318	85.3367	2.2029	278.034089865062
Cond-006071	NPD6115	NPD6115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1208640963	Cn1c(=O)n(C)c(N)c(C(=O)CSc2ncnc3c2[nH]cn3)c1=O	InChI=1S/C13H13N7O3S/c1-19-9(14)7(12(22)20(2)13(19)23)6(21)3-24-11-8-10(16-4-15-8)17-5-18-11/h4-5H,3,14H2,1-2H3,(H,15,16,17,18)	C13H13N7O3S	347.352	10	3	163.47	3	4	0	-1.3104	-0.77534	1.68	-0.877	58.6404	84.6554	2.3087	275.300238744718
Cond-006072	NPD6116	NPD6116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3316926442	CC1(C)CC(=O)C(Sc2ncnc3c2[nH]cn3)C(=O)C1	InChI=1S/C13H14N4O2S/c1-13(2)3-7(18)10(8(19)4-13)20-12-9-11(15-5-14-9)16-6-17-12/h5-6,10H,3-4H2,1-2H3,(H,14,15,16,17)	C13H14N4O2S	290.341	6	1	113.9	3	2	0	0.4693	1.36207	2.12	0.349	47.8314	74.726	2.0366	238.792648821256
Cond-006073	NPD6117	NPD6117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6739586182	OC(CSc1ncnc2c1[nH]cn2)c1ccccc1	InChI=1S/C13H12N4OS/c18-10(9-4-2-1-3-5-9)6-19-13-11-12(15-7-14-11)16-8-17-13/h1-5,7-8,10,18H,6H2,(H,14,15,16,17)	C13H12N4OS	272.326	5	2	99.99	3	4	0	-0.3289	1.19388	2.23	2.789	21.7682	70.1568	1.9349	216.465963419895
Cond-006074	NPD6118	NPD6118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.4685078844	CC(C)c1ccc(cc1)c1c(C(=O)C)c(C)nc2c1C(=O)c1c2cccc1	InChI=1S/C24H21NO2/c1-13(2)16-9-11-17(12-10-16)21-20(15(4)26)14(3)25-23-18-7-5-6-8-19(18)24(27)22(21)23/h5-13H,1-4H3	C24H21NO2	355.429	3	0	47.03	4	3	1	0.4947	5.78440000000001	3.77	7.619	36.1167	112.1055	2.8	341.110422818891
Cond-006075	NPD612	NPD612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7007499814	O=c1oc2cc3c(cc2c(c1)c1ccccc1)c(co3)c1ccc(cc1)c1ccccc1	InChI=1S/C29H18O3/c30-29-16-23(21-9-5-2-6-10-21)24-15-25-26(18-31-27(25)17-28(24)32-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18H	C29H18O3	414.451	3	0	39.44	6	3	1	-0.0797	7.76627	4.32	11.613	16.9342	132.252	3.07420000000001	368.325060235819
Cond-006076	NPD6120	NPD6120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9792179382	[C@@H]12NC(=O)N[C@@H]1N(CC(=O)NCC(=O)O)C(=O)N2	InChI=1S/C8H11N5O5/c14-3(9-1-4(15)16)2-13-6-5(11-8(13)18)10-7(17)12-6/h5-6H,1-2H2,(H,9,14)(H,11,18)(H,15,16)(H2,10,12,17)/t5-,6+/m0/s1	C8H11N5O5	257.203	10	5	139.87	2	5	0	-2.2692	-3.22461	1.24	-2.886	50.025	57.9806	1.6391	210.600518046573
Cond-006077	NPD6121	NPD6121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.2514811777	[C@@H](Cc1ccccc1)(N1C(=O)N[C@@H]2NC(=O)N[C@H]12)C(=O)O	InChI=1S/C13H14N4O4/c18-11(19)8(6-7-4-2-1-3-5-7)17-10-9(15-13(17)21)14-12(20)16-10/h1-5,8-10H,6H2,(H,15,21)(H,18,19)(H2,14,16,20)/t8-,9-,10+/m0/s1	C13H14N4O4	290.275	8	4	110.77	3	4	0	-1.3255	-0.729510000000001	2.01	1.733	41.6477	74.0379	1.9905	248.764078164778
Cond-006078	NPD6122	NPD6122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.6107920882	COC(=O)c1c2ncc(C(=O)C)c(O)c2ccc1	InChI=1S/C13H11NO4/c1-7(15)10-6-14-11-8(12(10)16)4-3-5-9(11)13(17)18-2/h3-6H,1-2H3,(H,14,16)	C13H11NO4	245.231	5	1	76.49	2	3	0	-0.703	2.26858	2.34	1.554	25.3234	70.1925	1.7567	214.593797540278
Cond-006079	NPD6123	NPD6123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9603500137	COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C(=O)O	InChI=1S/C24H22N2O7/c1-31-19-12-15(13-20(32-2)21(19)33-3)22(27)26-18-10-5-4-9-17(18)23(28)25-16-8-6-7-14(11-16)24(29)30/h4-13H,1-3H3,(H,25,28)(H,26,27)(H,29,30)	C24H22N2O7	450.441	9	3	123.19	3	10	0	-1.6648	3.88359	3.11	4.059	44.0497	124.8692	3.25890000000001	405.778316529863
Cond-006080	NPD6124	NPD6124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9147753167	C[C@]12C[C@H](CC(C)(C)C1)N(CN1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2	InChI=1S/C21H38N2/c1-18(2)7-16-9-20(5,11-18)13-22(16)15-23-14-21(6)10-17(23)8-19(3,4)12-21/h16-17H,7-15H2,1-6H3/t16-,17+,20-,21+	C21H38N2	318.54	2	0	6.48	4	2	1	3.4891	4.74510000000001	3.55	5.633	98.4083	97.3330000000001	2.8327	344.339821457136
Cond-006081	NPD6125	NPD6125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2884878316	CC12CC(CC(C)(C)C1)[NH+](Cc1c3oc(=O)c(cc3ccc1[O-])c1nc3c(o1)cccc3)C2	InChI=1S/C27H28N2O4/c1-26(2)11-17-12-27(3,14-26)15-29(17)13-19-21(30)9-8-16-10-18(25(31)33-23(16)19)24-28-20-6-4-5-7-22(20)32-24/h4-10,17,30H,11-15H2,1-3H3	C27H28N2O4	444.522	6	1	79.83	6	3	1	-0.470800000000001	5.17826000000001	3.77	5.192	65.9107	129.7077	3.3087	402.13559030578
Cond-006082	NPD6126	NPD6126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.797739495	OCCN1CC[NH+](Cc2c3oc(=O)c(cc3ccc2[O-])c2ccccn2)CC1	InChI=1S/C21H23N3O4/c25-12-11-23-7-9-24(10-8-23)14-17-19(26)5-4-15-13-16(21(27)28-20(15)17)18-3-1-2-6-22-18/h1-6,13,25-26H,7-12,14H2	C21H23N3O4	381.425	7	2	90.16	4	5	0	-2.4228	0.736170000000002	3	1.135	53.8382	107.7605	2.8233	347.605818861146
Cond-006083	NPD6127	NPD6127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3978671042	Cc1csc(n1)c1cc2ccc([O-])c(C[NH+]3CCN(CCO)CC3)c2oc1=O	InChI=1S/C20H23N3O4S/c1-13-12-28-19(21-13)15-10-14-2-3-17(25)16(18(14)27-20(15)26)11-23-6-4-22(5-7-23)8-9-24/h2-3,10,12,24-25H,4-9,11H2,1H3	C20H23N3O4S	401.479	7	2	118.4	4	5	0	-1.3927	1.28559	2.78	0.955	67.3642	110.5845	2.8889	351.45531699368
Cond-006084	NPD6128	NPD6128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8262692553	CCOC(=O)c1c(c2nc3c(s2)cccc3)c(=O)c2cc(CC)c([O-])c(C[NH+]3CC4(C)CC3CC(C)(C)C4)c2o1	InChI=1S/C32H36N2O5S/c1-6-18-12-20-26(36)24(29-33-22-10-8-9-11-23(22)40-29)28(30(37)38-7-2)39-27(20)21(25(18)35)15-34-17-32(5)14-19(34)13-31(3,4)16-32/h8-12,19,35H,6-7,13-17H2,1-5H3	C32H36N2O5S	560.704	7	1	121.23	6	7	1	0.0688000000000002	6.35325000000001	4.1	6.396	98.7189	160.2282	4.1924	513.278305492475
Cond-006085	NPD6129	NPD6129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1882234983	OCCN1CC[NH+](Cc2c3oc(=O)c(cc3ccc2[O-])c2nc3c(cccc3)cc2)CC1	InChI=1S/C25H25N3O4/c29-14-13-27-9-11-28(12-10-27)16-20-23(30)8-6-18-15-19(25(31)32-24(18)20)22-7-5-17-3-1-2-4-21(17)26-22/h1-8,15,29-30H,9-14,16H2	C25H25N3O4	431.484	7	2	90.16	5	5	0	-2.4228	2.29456000000001	3.44	2.763	53.8382	126.3075	3.1923	388.260381262213
Cond-006086	NPD613	NPD613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.500620255	COc1ccc(cc1)c1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12	InChI=1S/C26H24O7/c1-28-18-7-5-17(6-8-18)21-14-25(27)33-22-13-19(9-10-20(21)22)32-15-16-11-23(29-2)26(31-4)24(12-16)30-3/h5-14H,15H2,1-4H3	C26H24O7	448.465	7	0	72.45	4	8	0	-0.2753	4.86317	3.55	4.725	50.9096	126.066	3.2755	408.656765365263
Cond-006087	NPD6130	NPD6130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	81.6425120773	O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12	InChI=1S/C27H33N3O8S2/c31-23(29-17-7-9-18(10-8-17)40(32,33)30-25-28-15-16-39-25)21-19-20(36-26(35-19)11-3-1-4-12-26)22-24(34-21)38-27(37-22)13-5-2-6-14-27/h7-10,15-16,19-22,24H,1-6,11-14H2,(H,28,30)(H,29,31)/t19-,20+,21?,22-,24-/m1/s1	C27H33N3O8S2	591.696	11	2	170.93	7	6	1	-4.7673	5.47537000000001	3	3.673	84.8833	143.1734	3.9907	491.764222832992
Cond-006088	NPD6132	NPD6132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3493756267	O=C1/C(=N/Nc2cc3c(oc4c3cccc4)cc2)/Nc2cc3c(oc4c3cccc4)cc12	InChI=1S/C26H15N3O3/c30-25-19-13-24-18(16-6-2-4-8-22(16)32-24)12-20(19)27-26(25)29-28-14-9-10-23-17(11-14)15-5-1-3-7-21(15)31-23/h1-13,28H,(H,27,29,30)	C26H15N3O3	417.416	6	2	79.77	7	2	1	-1.469	6.83755	3.66	7.627	20.5828	134.8564	2.88530000000001	328.807386982719
Cond-006089	NPD6133	NPD6133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9968097712	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1Nc1ccc(Br)cc1	InChI=1S/C14H19BrN2O5/c1-7(19)16-11-13(21)12(20)10(6-18)22-14(11)17-9-4-2-8(15)3-5-9/h2-5,10-14,17-18,20-21H,6H2,1H3,(H,16,19)/t10-,11-,12-,13-,14?/m1/s1	C14H19BrN2O5	375.215	7	5	111.05	2	5	0	-1.7493	0.63868	2.12	1.172	55.5592	86.6158	2.3601	289.76976415484
Cond-006090	NPD6134	NPD6134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8939021056	[C@H]12Cc3c(CN1C(=O)CN(NC(=O)OC(C)(C)C)C2=O)cccc3	InChI=1S/C17H21N3O4/c1-17(2,3)24-16(23)18-20-10-14(21)19-9-12-7-5-4-6-11(12)8-13(19)15(20)22/h4-7,13H,8-10H2,1-3H3,(H,18,23)/t13-/m1/s1	C17H21N3O4	331.366	7	1	78.95	3	4	0	-0.6049	0.48029	2.56	3.006	60.6387	87.6647	2.4543	306.951256460079
Cond-006091	NPD6135	NPD6135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7598213472	[C@H]12[C@H](N3N=Cc4c(cccc4)[C@@H]3[C@H]1C(=O)N(C2=O)c1ccc2OCCOc2c1)C(=O)c1ccccc1	InChI=1S/C28H21N3O5/c32-26(16-6-2-1-3-7-16)25-23-22(24-19-9-5-4-8-17(19)15-29-31(24)25)27(33)30(28(23)34)18-10-11-20-21(14-18)36-13-12-35-20/h1-11,14-15,22-25H,12-13H2/t22-,23+,24+,25-/m0/s1	C28H21N3O5	479.483	8	0	88.51	7	3	1	-1.825	4.32917	3.66	5.298	54.8045	136.48	3.32750000000001	416.316268336375
Cond-006092	NPD6136	NPD6136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2573147389	[S-]/C(=N\C(=O)c1cccnc1)/N1CCCCC1c1c[nH+]ccc1	InChI=1S/C17H18N4OS/c22-16(14-6-4-9-19-12-14)20-17(23)21-10-2-1-7-15(21)13-5-3-8-18-11-13/h3-6,8-9,11-12,15H,1-2,7,10H2,(H,20,22,23)	C17H18N4OS	326.416	5	1	59.7	3	4	0	-3.0746	1.20908	2.67	2.943	30.2861	93.154	2.4555	293.913443222562
Cond-006093	NPD6137	NPD6137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1805669492	[S-]/C(=N\C(=O)c1ccc[nH+]c1)/N1C[C@@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C18H18N4O2S/c23-16-5-1-4-15-14-7-12(10-22(15)16)9-21(11-14)18(25)20-17(24)13-3-2-6-19-8-13/h1-6,8,12,14H,7,9-11H2,(H,20,24,25)/t12-,14?/m0/s1	C18H18N4O2S	354.426	6	1	67.12	4	3	0	-2.9395	0.0143599999999999	2.67	1.517	65.3801	97.963	2.5465	318.54319584819
Cond-006094	NPD6138	NPD6138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4604867378	CC(=O)/N=C/1\NC2(O)C(=O)c3c(cccc3)C2(O)N1	InChI=1S/C12H11N3O4/c1-6(16)13-10-14-11(18)8-5-3-2-4-7(8)9(17)12(11,19)15-10/h2-5,18-19H,1H3,(H2,13,14,15,16)	C12H11N3O4	261.233	7	4	111.02	3	1	0	-2.3737	-1.39762	2.01	3.323	36.442	67.2865	1.7498	220.471333330745
Cond-006095	NPD6139	NPD6139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.1497584541	COc1ccc(CCNC(=O)c2coc(=O)c(Br)c2)cc1	InChI=1S/C15H14BrNO4/c1-20-12-4-2-10(3-5-12)6-7-17-14(18)11-8-13(16)15(19)21-9-11/h2-5,8-9H,6-7H2,1H3,(H,17,18)	C15H14BrNO4	352.18	5	1	64.63	2	6	0	0.1612	2.15967	2.45	2.683	56.406	83.5957	2.2135	279.369385769578
Cond-006096	NPD614	NPD614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7014340297	COc1cc(COc2c(Cl)cc3c(oc(=O)c4c3CCCC4)c2)cc(OC)c1OC	InChI=1S/C23H23ClO6/c1-26-20-8-13(9-21(27-2)22(20)28-3)12-29-19-11-18-16(10-17(19)24)14-6-4-5-7-15(14)23(25)30-18/h8-11H,4-7,12H2,1-3H3	C23H23ClO6	430.878	6	0	63.22	4	6	0	-0.019299999999999	5.40387	3.22	3.921	63.6184	116.391	3.0455	381.999028659935
Cond-006097	NPD6140	NPD6140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.6748701121	CCc1ccccc1NC(=O)COc1ccc2c(oc(=O)c(CC)c2C)c1	InChI=1S/C22H23NO4/c1-4-15-8-6-7-9-19(15)23-21(24)13-26-16-10-11-18-14(3)17(5-2)22(25)27-20(18)12-16/h6-12H,4-5,13H2,1-3H3,(H,23,24)	C22H23NO4	365.422	5	1	64.63	3	7	1	0.250600000000001	5.52106	3.33	5.154	53.9958	109.3917	2.8302	352.62828307068
Cond-006098	NPD6141	NPD6141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.593382554	CC(=O)c1cc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)ccc1	InChI=1S/C20H17NO5/c1-12-8-20(24)26-18-7-6-16(10-17(12)18)25-11-19(23)21-15-5-3-4-14(9-15)13(2)22/h3-10H,11H2,1-2H3,(H,21,23)	C20H17NO5	351.353	6	1	81.7	3	6	0	-0.5282	4.38106	3	3.119	45.2102	100.7842	2.5641	324.190081818707
Cond-006099	NPD6142	NPD6142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1620636223	Cc1cc(=O)oc2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc12	InChI=1S/C18H14ClNO4/c1-11-8-18(22)24-16-7-6-14(9-15(11)16)23-10-17(21)20-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H,20,21)	C18H14ClNO4	343.761	5	1	64.63	3	5	0	0.47	4.83186	2.78	3.713	40.0554	95.7897	2.389	298.655412337645
Cond-006100	NPD6144	NPD6144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0194148209	Cc1cc(=O)oc2cc(Cl)c(OCC(=O)N3CCCCC3)cc12	InChI=1S/C17H18ClNO4/c1-11-7-17(21)23-14-9-13(18)15(8-12(11)14)22-10-16(20)19-5-3-2-4-6-19/h7-9H,2-6,10H2,1H3	C17H18ClNO4	335.782	5	0	55.84	3	4	0	-0.370800000000002	3.60557	2.67	2.387	58.2146	90.906	2.3771	300.168803814179
Cond-006101	NPD6145	NPD6145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.6035912861	Cc1ccc(cc1)/C(=N\O)/COc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C21H19NO4/c1-13-5-7-14(8-6-13)19(22-24)12-25-15-9-10-17-16-3-2-4-18(16)21(23)26-20(17)11-15/h5-11,24H,2-4,12H2,1H3/b22-19-	C21H19NO4	349.38	5	1	68.12	4	4	1	-0.1135	4.38039	3.22	5.272	47.3766	100.9905	2.5807	322.975839744013
Cond-006102	NPD6146	NPD6146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6754170085	COC(=O)CCC(NC(=O)C)C(=O)NC(=O)NCc1ccccc1	InChI=1S/C16H21N3O5/c1-11(20)18-13(8-9-14(21)24-2)15(22)19-16(23)17-10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,18,20)(H2,17,19,22,23)	C16H21N3O5	335.355	8	3	113.6	1	12	1	-1.7636	-0.27121	2.34	2.202	55.2342	87.7731	2.5463	320.521957235573
Cond-006103	NPD6147	NPD6147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.4438063987	CN1C(=O)/C(=C\Nc2cc(CO)ccc2)/c2c1cccc2	InChI=1S/C17H16N2O2/c1-19-16-8-3-2-7-14(16)15(17(19)21)10-18-13-6-4-5-12(9-13)11-20/h2-10,18,20H,11H2,1H3/b15-10-	C17H16N2O2	280.321	4	2	52.57	3	3	0	-1.6504	2.92007	2.89	3.212	32.0552	85.4845	2.1511	262.20112544919
Cond-006104	NPD6148	NPD6148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	58.1806580986	CC(N/C=C\1/N=C(OC1=O)c1ccccc1)c1ccccc1	InChI=1S/C18H16N2O2/c1-13(14-8-4-2-5-9-14)19-12-16-18(21)22-17(20-16)15-10-6-3-7-11-15/h2-13,19H,1H3/b16-12+	C18H16N2O2	292.332	4	1	50.69	3	4	1	-0.9759	3.00118	3	6.622	33.9749	87.3417	2.249	276.860651374256
Cond-006105	NPD6149	NPD6149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7548081305	O=C1OC(=N/C/1=C/NCc1ccco1)c1ccco1	InChI=1S/C13H10N2O4/c16-13-10(8-14-7-9-3-1-5-17-9)15-12(19-13)11-4-2-6-18-11/h1-6,8,14H,7H2/b10-8+	C13H10N2O4	258.23	6	1	76.97	3	4	0	-1.2734	1.60858	2.23	2.113	32.6287	69.6137	1.7479	213.234099047645
Cond-006106	NPD615	NPD615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.563723358	CCCCCCc1c(C)c2ccc(OCc3cccc(OC)c3)cc2oc1=O	InChI=1S/C24H28O4/c1-4-5-6-7-11-22-17(2)21-13-12-20(15-23(21)28-24(22)25)27-16-18-9-8-10-19(14-18)26-3/h8-10,12-15H,4-7,11,16H2,1-3H3	C24H28O4	380.477	4	0	44.76	3	9	1	-0.605099999999999	6.14957000000001	3.66	6.865	55.7298	114.242	3.0552	378.859950815047
Cond-006107	NPD6150	NPD6150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8318293683	OC[C@H]1O[C@@H](NNC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C13H18N2O6/c16-6-8-9(17)10(18)11(19)13(21-8)15-14-12(20)7-4-2-1-3-5-7/h1-5,8-11,13,15-19H,6H2,(H,14,20)/t8-,9+,10+,11-,13-/m1/s1	C13H18N2O6	298.292	8	6	131.28	2	5	1	-3.1083	-2.31071	2.01	2.063	44.1003	73.8326000000001	2.1029	261.980387251967
Cond-006108	NPD6151	NPD6151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.145565582	CC(C)OC(=O)Cc1ccc(NC(=N)/N=c\2/[nH]c(C)cc(C)n2)cc1	InChI=1S/C18H23N5O2/c1-11(2)25-16(24)10-14-5-7-15(8-6-14)22-17(19)23-18-20-12(3)9-13(4)21-18/h5-9,11H,10H2,1-4H3,(H3,19,20,21,22,23)	C18H23N5O2	341.408	7	3	98.93	2	7	0	-0.954800000000001	2.80673	2.67	2.961	70.3668	104.7631	2.7	335.743849400357
Cond-006109	NPD6152	NPD6152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6777868927	COCc1cc(=O)[nH]/c(=N/C(=N)Nc2ccccc2)/[nH]1	InChI=1S/C13H15N5O2/c1-20-8-10-7-11(19)17-13(16-10)18-12(14)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,14,15,16,17,18,19)	C13H15N5O2	273.291	7	4	98.6	2	5	0	-1.3233	1.39914	2.12	1.977	46.2401	79.6798	2.0385	251.900384971823
Cond-006110	NPD6153	NPD6153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9579801294	Cc1c(Cl)cc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C19H24ClNO6/c1-9-6-7-10(8-11(9)20)21-16(22)14-12-13(25-18(2,3)24-12)15-17(23-14)27-19(4,5)26-15/h6-8,12-15,17H,1-5H3,(H,21,22)/t12-,13+,14+,15-,17-/m1/s1	C19H24ClNO6	397.85	7	1	75.25	4	3	0	0.0501000000000009	3.537	2.67	2.758	71.5447	99.7307	2.7537	345.257685167835
Cond-006111	NPD6154	NPD6154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8618175189	CC(CCC(=O)N/N=C/1\C(=O)Nc2c1ccc(c2)N(=O)=O)C1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C32H44N4O6/c1-17(4-9-27(39)34-35-29-21-6-5-19(36(41)42)16-25(21)33-30(29)40)22-7-8-23-28-24(11-13-32(22,23)3)31(2)12-10-20(37)14-18(31)15-26(28)38/h5-6,16-18,20,22-24,26,28,37-38H,4,7-15H2,1-3H3,(H,34,39)(H,33,35,40)/t17?,18?,20?,22?,23?,24?,26?,28?,31-,32+/m0/s1	C32H44N4O6	580.715	10	4	154.16	6	7	1	-0.368600000000006	5.46708000000001	3.88	8.146	122.3083	162.777	4.4162	555.262404654168
Cond-006112	NPD6156	NPD6156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7327499772	CN1C(=O)C(C2Cc3c(CC42C(=O)N(C)C(=O)N(C)C4=O)cccc3)C(=O)N(C)C1=O	InChI=1S/C21H22N4O6/c1-22-15(26)14(16(27)23(2)19(22)30)13-9-11-7-5-6-8-12(11)10-21(13)17(28)24(3)20(31)25(4)18(21)29/h5-8,13-14H,9-10H2,1-4H3	C21H22N4O6	426.423	10	0	115.38	4	1	0	-1.1116	-0.297209999999999	2.67	1.148	81.6086	107.989	2.9975	384.446573769635
Cond-006113	NPD6157	NPD6157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1359037462	CCOC(=O)C1SC2(CC1c1c(OC)c3c(occ3)c(OC)c1O2)C(F)F	InChI=1S/C18H18F2O6S/c1-4-24-16(21)15-9-7-18(27-15,17(19)20)26-13-10(9)11(22-2)8-5-6-25-12(8)14(13)23-3/h5-6,9,15,17H,4,7H2,1-3H3	C18H18F2O6S	400.394	6	0	92.43	4	6	0	0.856600000000001	4.69068	2.45	2.311	60.3684	99.355	2.5465	318.861555620781
Cond-006114	NPD6158	NPD6158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6022240452	CN(C)C1=C(Cl)C(=O)C(Cl)C21OCCO2	InChI=1S/C9H11Cl2NO3/c1-12(2)8-5(10)6(13)7(11)9(8)14-3-4-15-9/h7H,3-4H2,1-2H3	C9H11Cl2NO3	252.095	4	0	38.77	2	1	0	0.6659	1.09168	1.79	0.471	57.9015	58.822	1.5942	202.024061381117
Cond-006115	NPD6159	NPD6159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4540151308	COC1(OC)C(=C(Cl)C(=O)C1(Cl)CC=C)N	InChI=1S/C10H13Cl2NO3/c1-4-5-9(12)8(14)6(11)7(13)10(9,15-2)16-3/h4H,1,5,13H2,2-3H3	C10H13Cl2NO3	266.121	4	2	61.55	1	4	0	0.521699999999999	1.60727	1.9	0.417	63.794	64.9234	1.8007	229.040046006983
Cond-006116	NPD616	NPD616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.0570296264	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12	InChI=1S/C24H17ClO5/c1-28-18-8-4-15(5-9-18)21-13-24(27)30-23-12-19(10-11-20(21)23)29-14-22(26)16-2-6-17(25)7-3-16/h2-13H,14H2,1H3	C24H17ClO5	420.842	5	0	61.83	4	6	1	0.1472	5.51297	3.44	5.638	39.7736	117.6695	2.9557	369.058951782041
Cond-006117	NPD6160	NPD6160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5775225595	CCSC1=C(Cl)C(=O)CC21OCCO2	InChI=1S/C9H11ClO3S/c1-2-14-8-7(10)6(11)5-9(8)12-3-4-13-9/h2-5H2,1H3	C9H11ClO3S	234.7	3	0	60.83	2	2	0	0.839	2.06588	1.9	0.718	57.0049	58.243	1.5355	194.325257460117
Cond-006118	NPD6161	NPD6161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2808312825	CC(N1OCC(C)(C)C(=O)C1=O)c1ccccc1	InChI=1S/C14H17NO3/c1-10(11-7-5-4-6-8-11)15-13(17)12(16)14(2,3)9-18-15/h4-8,10H,9H2,1-3H3	C14H17NO3	247.29	4	0	46.61	2	2	0	-0.126	1.59729	2.56	2.897	42.0401	69.957	1.9249	239.272472867184
Cond-006119	NPD6162	NPD6162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5201895907	COC1(OC)C(=C(Cl)C(=O)C1(Cl)CC=C)NCC(O)COc1ccccc1	InChI=1S/C19H23Cl2NO5/c1-4-10-18(21)17(24)15(20)16(19(18,25-2)26-3)22-11-13(23)12-27-14-8-6-5-7-9-14/h4-9,13,22-23H,1,10-12H2,2-3H3	C19H23Cl2NO5	416.296	6	2	77.02	2	10	0	0.209599999999997	3.17886	2.67	2.561	79.8779	108.7435	2.9486	371.118526237707
Cond-006120	NPD6163	NPD6163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.620453924	CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C/C(=N\O)/C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C	InChI=1S/C27H43NO6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28-34)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,12,17-18,20-23,29-34H,7-11,13-14H2,1-5H3/b28-19+/t17?,18?,20?,21?,22?,23?,25-,26+,27?/m0/s1	C27H43NO6	477.633	7	6	133.74	4	5	1	-0.5877	3.14327000000001	3.66	2.765	129.9056	131.2117	3.8015	481.950953105136
Cond-006121	NPD6164	NPD6164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.33233069	CCn1c(=O)n(CC)c2c(cc(cc2)S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc23)c1=O	InChI=1S/C32H34N4O8S/c1-7-35-26-10-9-21(16-23(26)31(37)36(8-2)32(35)38)45(39,40)34-24-18-30(44-6)28(42-4)15-20(24)13-25-22-17-29(43-5)27(41-3)14-19(22)11-12-33-25/h9-12,14-18,34H,7-8,13H2,1-6H3	C32H34N4O8S	634.699	12	1	144.98	5	11	1	-0.868299999999999	5.83738	3.55	3.372	80.0245	168.5797	4.5477	555.189588608891
Cond-006122	NPD6165	NPD6165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.830370978	COc1c(OC)cc(NS(=O)(=O)c2cccs2)c(Cc2nccc3cc(OC)c(OC)cc23)c1	InChI=1S/C24H24N2O6S2/c1-29-20-11-15-7-8-25-19(17(15)13-22(20)31-3)10-16-12-21(30-2)23(32-4)14-18(16)26-34(27,28)24-6-5-9-33-24/h5-9,11-14,26H,10H2,1-4H3	C24H24N2O6S2	500.587	8	1	132.6	4	9	0	-0.2319	6.10858	3	3.492	52.9529	128.5517	3.5046	416.022596645302
Cond-006123	NPD6166	NPD6166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2261416462	COC(=O)C1=C(C)N=C(O)NC1/C=C/c1c(OC)cccc1	InChI=1S/C16H18N2O4/c1-10-14(15(19)22-3)12(18-16(20)17-10)9-8-11-6-4-5-7-13(11)21-2/h4-9,12H,1-3H3,(H2,17,18,20)/b9-8+	C16H18N2O4	302.325	6	2	80.15	2	5	0	0.567199999999999	1.91626	2.56	3.044	58.1569	86.4575000000001	2.2792	288.378511626045
Cond-006124	NPD6168	NPD6168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5504511895	[C@@H](CCSC)(NC(=O)CC(C)C)c1nc2ccccc2[nH]1	InChI=1S/C16H23N3OS/c1-11(2)10-15(20)17-14(8-9-21-3)16-18-12-6-4-5-7-13(12)19-16/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1	C16H23N3OS	305.438	4	2	83.08	2	8	0	-0.081400000000001	3.79538	2.67	4.063	54.0704	94.6767000000001	2.4524	285.886533191729
Cond-006125	NPD6169	NPD6169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.0020964361	COC(=O)C1C(C(C(=O)OC)C(C)(O)CC1=O)c1cccnc1	InChI=1S/C16H19NO6/c1-16(21)7-10(18)12(14(19)22-2)11(13(16)15(20)23-3)9-5-4-6-17-8-9/h4-6,8,11-13,21H,7H2,1-3H3	C16H19NO6	321.325	7	1	102.79	2	5	0	-0.932600000000003	0.70129	2.45	0.133999999999999	55.495	81.4808	2.3398	297.598663519801
Cond-006126	NPD617	NPD617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.910966677	CC(=CCC/C(=C/COc1ccc2c3c(CCCC3)c(=O)oc2c1C)/C)C	InChI=1S/C24H30O3/c1-16(2)8-7-9-17(3)14-15-26-22-13-12-20-19-10-5-6-11-21(19)24(25)27-23(20)18(22)4/h8,12-14H,5-7,9-11,15H2,1-4H3/b17-14+	C24H30O3	366.493	3	0	35.53	3	6	1	2.8222	6.99257000000001	3.77	6.017	85.578	115.051	3.0395	383.606182815286
Cond-006127	NPD6170	NPD6170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.080302616	CC(C)C(N)(CCP(=O)(O)CCC(=O)O)C(=O)O	InChI=1S/C10H20NO6P/c1-7(2)10(11,9(14)15)4-6-18(16,17)5-3-8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)	C10H20NO6P	281.243	7	5	147.73	0	8	0	-2.3835	0.85028	1.68	-3.181	52.2618	65.2673	2.0882	259.8087613774
Cond-006128	NPD6171	NPD6171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0009114939	CC(N)(CCCCP(=O)(O)O)C(=O)O	InChI=1S/C7H16NO5P/c1-7(8,6(9)10)4-2-3-5-14(11,12)13/h2-5,8H2,1H3,(H,9,10)(H2,11,12,13)	C7H16NO5P	225.179	6	5	130.66	0	6	0	-2.4161	0.78859	1.46	-3.59	43.9554	54.1733	1.6498	201.767039500039
Cond-006129	NPD6172	NPD6172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7971925987	[C@@H]1(C)Oc2ccccc2C=C1/C=C/C(=O)O	InChI=1S/C13H12O3/c1-9-10(6-7-13(14)15)8-11-4-2-3-5-12(11)16-9/h2-9H,1H3,(H,14,15)/b7-6+/t9-/m0/s1	C13H12O3	216.233	3	1	46.53	2	2	0	0.2403	2.46907	2.56	2.846	37.477	63.1958	1.6412	208.34326933235
Cond-006130	NPD6173	NPD6173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8850606143	C/C(=C\1/C(NC(=O)C1=O)c1ccccc1)/O	InChI=1S/C12H11NO3/c1-7(14)9-10(13-12(16)11(9)15)8-5-3-2-4-6-8/h2-6,10,14H,1H3,(H,13,16)/b9-7+	C12H11NO3	217.221	4	2	66.4	2	1	0	-0.8004	1.07758	2.34	3.456	32.6219	59.8565	1.6001	202.04404491465
Cond-006131	NPD6174	NPD6174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8421292498	C/C(=C/1\C(N(CCCCCC(=O)O)C(=O)C1=O)c1ccc(Br)cc1)/O	InChI=1S/C18H20BrNO5/c1-11(21)15-16(12-6-8-13(19)9-7-12)20(18(25)17(15)24)10-4-2-3-5-14(22)23/h6-9,16,21H,2-5,10H2,1H3,(H,22,23)/b15-11-	C18H20BrNO5	410.259	6	2	94.91	2	7	0	-0.969000000000001	3.19748	2.67	3.155	66.4365	97.2306000000001	2.6949	340.04756634774
Cond-006132	NPD6175	NPD6175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.2402698022	Cc1c(/C=C\2/C(=O)N=C(O)N=C2O)c(=O)oc2c1cc1CCCN3CCCc2c13	InChI=1S/C21H19N3O5/c1-10-13-8-11-4-2-6-24-7-3-5-12(16(11)24)17(13)29-20(27)14(10)9-15-18(25)22-21(28)23-19(15)26/h8-9H,2-7H2,1H3,(H2,22,23,25,26,28)	C21H19N3O5	393.393	8	2	111.79	5	1	0	-0.575799999999997	3.39834	2.89	1.771	78.1425	113.8316	2.7304	352.303128160107
Cond-006133	NPD6176	NPD6176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8409443077	OC(=O)CCCCCN/C=C/1\C(=O)NC(=O)N=C1O	InChI=1S/C11H15N3O5/c15-8(16)4-2-1-3-5-12-6-7-9(17)13-11(19)14-10(7)18/h6,12H,1-5H2,(H,15,16)(H2,13,14,17,18,19)	C11H15N3O5	269.254	8	4	128.09	1	7	0	-2.6943	0.47128	1.79	0.517	57.5162	68.765	1.9278	250.214951507839
Cond-006134	NPD6177	NPD6177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.854890165	Cn1/c(=N/c2nc3c(cccc3)c(C)n2)/nc(O)c2ccccc12	InChI=1S/C18H15N5O/c1-11-12-7-3-5-9-14(12)20-17(19-11)22-18-21-16(24)13-8-4-6-10-15(13)23(18)2/h3-10H,1-2H3,(H,19,20,21,22,24)	C18H15N5O	317.345	6	1	73.97	4	1	1	-0.1442	3.9846	2.78	5.006	28.4053	96.8298000000001	2.3381	275.167787896596
Cond-006135	NPD6178	NPD6178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.572327044	[C@@H]12NC(=O)N[C@@H]1N(C(CCSC)C(=O)O)C(=O)N2	InChI=1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)/t4?,5-,6+/m0/s1	C9H14N4O4S	274.297	8	4	136.07	2	5	0	-0.9714	-1.21911	1.46	-0.561	57.8963	66.8909	1.828	229.254998522111
Cond-006136	NPD618	NPD618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3581764873	CC(=O)C1CCC2C3CCC4=C/C(=N\OCC(=O)NCc5ccccn5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H39N3O3/c1-19(33)24-9-10-25-23-8-7-20-16-21(11-13-28(20,2)26(23)12-14-29(24,25)3)32-35-18-27(34)31-17-22-6-4-5-15-30-22/h4-6,15-16,23-26H,7-14,17-18H2,1-3H3,(H,31,34)/b32-21-/t23?,24?,25?,26?,28-,29+/m0/s1	C29H39N3O3	477.638	6	1	80.65	5	7	1	0.0962999999999964	5.66857000000001	3.99	6.1	111.4997	141.0267	3.8262	478.36346916752
Cond-006137	NPD6180	NPD6180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	24.0634399781	Brc1cc2c(cc1)N(CN1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)C(=O)/C/2=N\NC(=O)c1cccs1	InChI=1S/C25H22BrN5O3S/c26-17-6-7-20-18(10-17)23(27-28-24(33)21-4-2-8-35-21)25(34)31(20)14-29-11-15-9-16(13-29)19-3-1-5-22(32)30(19)12-15/h1-8,10,15-16H,9,11-14H2,(H,28,33)/b27-23-/t15-,16-/m1/s1	C25H22BrN5O3S	552.443	8	1	113.56	6	5	0	-0.6448	3.79616	3.11	3.928	96.9495	140.0502	3.5201	435.163400611552
Cond-006138	NPD6181	NPD6181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0450278006	[C@H]12CCCCN1CCC[C@H]2COC(=O)Nc1c(OC)ccc(OC)c1	InChI=1S/C19H28N2O4/c1-23-15-8-9-18(24-2)16(12-15)20-19(22)25-13-14-6-5-11-21-10-4-3-7-17(14)21/h8-9,12,14,17H,3-7,10-11,13H2,1-2H3,(H,20,22)/t14-,17+/m0/s1	C19H28N2O4	348.437	6	1	60.03	3	7	0	-1.3925	3.71488000000001	2.89	2.817	62.7579	99.5497000000001	2.7223	335.819382905246
Cond-006139	NPD6182	NPD6182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9526934646	[C@H]12CCCCN1CCC[C@H]2COC(=O)Nc1c(OC)cc(OC)c(Cl)c1	InChI=1S/C19H27ClN2O4/c1-24-17-11-18(25-2)15(10-14(17)20)21-19(23)26-12-13-6-5-9-22-8-4-3-7-16(13)22/h10-11,13,16H,3-9,12H2,1-2H3,(H,21,23)/t13-,16+/m0/s1	C19H27ClN2O4	382.882	6	1	60.03	3	7	0	-0.648200000000001	4.36828	2.78	2.913	68.3735	104.5597	2.8447	351.03045067568
Cond-006140	NPD6183	NPD6183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5516361316	Oc1ccc2nc3CCCn3c(=O)c2c1CC=C	InChI=1S/C14H14N2O2/c1-2-4-9-11(17)7-6-10-13(9)14(18)16-8-3-5-12(16)15-10/h2,6-7,17H,1,3-5,8H2	C14H14N2O2	242.273	4	1	52.9	3	2	0	-0.273300000000001	2.19257	2.56	1.647	43.2795	72.9398	1.8144	226.486088973189
Cond-006141	NPD6184	NPD6184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0673594021	Cn1ncc2c1ncnc2NNC(=O)c1ccccc1	InChI=1S/C13H12N6O/c1-19-12-10(7-16-19)11(14-8-15-12)17-18-13(20)9-5-3-2-4-6-9/h2-8H,1H3,(H,18,20)(H,14,15,17)	C13H12N6O	268.274	7	2	84.73	3	4	0	-0.9397	2.49906	2.12	2.655	19.3362	79.1814	1.928	217.314001077828
Cond-006142	NPD6185	NPD6185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7939112205	COc1c(OC)cc(CCNc2cc(O)nc(C)c2)cc1	InChI=1S/C16H20N2O3/c1-11-8-13(10-16(19)18-11)17-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,18,19)	C16H20N2O3	288.342	5	2	63.61	2	6	0	-0.2776	3.31751	2.67	2.539	35.3927	85.0077	2.2635	271.324743626284
Cond-006143	NPD6186	NPD6186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.4941208641	OC(=O)c1ccc(COc2ccc(cc2)C(=O)O)o1	InChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)18-7-10-5-6-11(19-10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)	C13H10O6	262.215	6	2	96.97	2	5	0	-0.7762	2.36548	2.23	2.096	22.389	70.1561000000001	1.7743	221.177490733234
Cond-006144	NPD6187	NPD6187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.4283110017	CCC(OC(=O)C)c1cc(OC)c(OCc2ccc(cc2)C(=O)OC)cc1	InChI=1S/C21H24O6/c1-5-18(27-14(2)22)17-10-11-19(20(12-17)24-3)26-13-15-6-8-16(9-7-15)21(23)25-4/h6-12,18H,5,13H2,1-4H3	C21H24O6	372.412	6	0	71.06	2	10	0	-0.551400000000001	3.86358	3.11	4.279	49.5598	103.454	2.8585	356.908909039369
Cond-006145	NPD6188	NPD6188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.2688907119	COC(=O)c1ccc(COc2ccc(CO)cc2OC)cc1	InChI=1S/C17H18O5/c1-20-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)21-2/h3-9,18H,10-11H2,1-2H3	C17H18O5	302.322	5	1	64.99	2	7	0	-0.6318	2.34328	2.78	2.721	32.9123	84.6008	2.2792	281.57120253614
Cond-006146	NPD6189	NPD6189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.2113754444	COc1c(OC)cc(cc1)C1=NOC(C(=O)c2ccccc2)C21C(=O)Nc1c2cccc1	InChI=1S/C25H20N2O5/c1-30-19-13-12-16(14-20(19)31-2)22-25(17-10-6-7-11-18(17)26-24(25)29)23(32-27-22)21(28)15-8-4-3-5-9-15/h3-14,23H,1-2H3,(H,26,29)	C25H20N2O5	428.437	7	1	86.22	5	5	1	-1.7888	4.29787	3.44	5.625	41.5846	123.9007	3.0652	380.780930353008
Cond-006147	NPD619	NPD619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9660455878	CCOc1cc(c/c(=N\c2ccc(OC)cc2)/c2c(C)oc(C)c12)c1cccs1	InChI=1S/C24H23NO3S/c1-5-27-21-14-17(22-7-6-12-29-22)13-20(23-15(2)28-16(3)24(21)23)25-18-8-10-19(26-4)11-9-18/h6-14H,5H2,1-4H3/b25-20+	C24H23NO3S	405.509	4	0	72.2	4	5	1	1.5432	5.56892000000001	3.55	5.917	65.0758	118.464	3.0652	371.046132277852
Cond-006148	NPD6190	NPD6190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7742229514	OCC(O)CSc1ncnc2c1[nH]cn2	InChI=1S/C8H10N4O2S/c13-1-5(14)2-15-8-6-7(10-3-9-6)11-4-12-8/h3-5,13-14H,1-2H2,(H,9,10,11,12)	C8H10N4O2S	226.256	6	3	120.22	2	4	0	-0.7776	-0.84542	1.57	-0.828	29.045	52.6256	1.5267	169.942101794322
Cond-006149	NPD6192	NPD6192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4704121575	COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)c1c3c(OC)ccc1OC	InChI=1S/C29H40O4/c1-17(2)19-16-29-14-11-22-27(3,12-8-13-28(22,4)26(30)33-7)23(29)15-18(19)24-20(31-5)9-10-21(32-6)25(24)29/h9-10,16-18,22-23H,8,11-15H2,1-7H3/t18?,22?,23?,27-,28-,29?/m0/s1	C29H40O4	452.625	4	0	44.76	3	5	1	0.751799999999997	7.08147000000001	4.21	7.191	107.0161	134.832	3.6715	459.436332645181
Cond-006150	NPD6193	NPD6193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.6009670735	COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC13C(O)C(C(C)C)C(CC21)c1c3c(OC)ccc1OC	InChI=1S/C29H42O5/c1-16(2)22-17-15-21-27(3)12-8-13-28(4,26(31)34-7)20(27)11-14-29(21,25(22)30)24-19(33-6)10-9-18(32-5)23(17)24/h9-10,16-17,20-22,25,30H,8,11-15H2,1-7H3/t17?,20?,21?,22?,25?,27-,28-,29?/m0/s1	C29H42O5	470.641	5	1	64.99	3	5	1	-0.2406	6.20598000000001	4.1	6.379	106.4761	136.5158	3.7732	470.863018046542
Cond-006151	NPD6194	NPD6194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4034077826	ClC(Cl)(Cl)C(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC(=O)c1ccco1	InChI=1S/C19H19Cl3N4O3S/c20-19(21,22)17(23-16(28)14-4-2-6-29-14)24-18(30)25-8-11-7-12(10-25)13-3-1-5-15(27)26(13)9-11/h1-6,11-12,17H,7-10H2,(H,23,28)(H,24,30)/t11-,12-,17?/m0/s1	C19H19Cl3N4O3S	489.803	7	2	109.91	4	7	0	0.535199999999999	2.90047	2.34	2.966	103.0495	120.7949	3.1563	392.899069186719
Cond-006152	NPD6195	NPD6195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2376237624	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl	InChI=1S/C20H27Cl3N2O2/c21-20(22,23)19(24-18(26)13-15-7-2-1-3-8-15)27-14-16-9-6-12-25-11-5-4-10-17(16)25/h1-3,7-8,16-17,19H,4-6,9-14H2,(H,24,26)/t16-,17+,19?/m0/s1	C20H27Cl3N2O2	433.8	4	1	41.57	3	8	1	-0.1386	4.55659	2.89	6.182	77.0598	113.4977	3.113	381.168117441291
Cond-006153	NPD6196	NPD6196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.1941054571	COc1ccc(/C=C/2\C(=O)c3ccc(cc3C2=O)C(=O)O)cc1OC	InChI=1S/C19H14O6/c1-24-15-6-3-10(8-16(15)25-2)7-14-17(20)12-5-4-11(19(22)23)9-13(12)18(14)21/h3-9H,1-2H3,(H,22,23)/b14-7+	C19H14O6	338.311	6	1	89.9	3	4	0	-0.5988	2.65028	2.89	2.474	41.6414	91.5448000000001	2.3821	304.687563685234
Cond-006154	NPD6197	NPD6197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0667741193	CC(C)CCc1c(C)c2ccc(OCC(=O)Nc3cccc(c3)N(=O)=O)cc2oc1=O	InChI=1S/C23H24N2O6/c1-14(2)7-9-20-15(3)19-10-8-18(12-21(19)31-23(20)27)30-13-22(26)24-16-5-4-6-17(11-16)25(28)29/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,24,26)	C23H24N2O6	424.446	8	1	107.77	3	9	1	1.1878	5.75206000000001	3.11	5.795	60.7698	122.3227	3.1453	395.865022605036
Cond-006155	NPD6198	NPD6198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7098779645	Cc1cc(=O)oc2cc(C)c(NC(=O)c3ccc(cc3)N(=O)=O)cc12	InChI=1S/C18H14N2O5/c1-10-8-17(21)25-16-7-11(2)15(9-14(10)16)19-18(22)12-3-5-13(6-4-12)20(23)24/h3-9H,1-2H3,(H,19,22)	C18H14N2O5	338.314	7	1	98.54	3	4	0	1.3837	4.26319	2.67	3.915	37.6508	97.0422	2.3821	300.59487277514
Cond-006156	NPD6199	NPD6199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9732903523	Cn1cc(C(CC(=O)O)C(=O)O)c2ccccc12	InChI=1S/C13H13NO4/c1-14-7-10(8-4-2-3-5-11(8)14)9(13(17)18)6-12(15)16/h2-5,7,9H,6H2,1H3,(H,15,16)(H,17,18)	C13H13NO4	247.247	5	2	79.53	2	4	0	-0.474	2.46028	2.34	1.328	31.2041	69.8326000000001	1.7997	217.230256241078
Cond-006157	NPD6200	NPD6200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.174303477	COc1ccc(NC(=O)CC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1	InChI=1S/C26H29NO3/c1-18(2)30-24-13-9-21(10-14-24)25(20-7-5-19(3)6-8-20)17-26(28)27-22-11-15-23(29-4)16-12-22/h5-16,18,25H,17H2,1-4H3,(H,27,28)	C26H29NO3	403.513	4	1	47.56	3	9	1	-0.242599999999999	6.4884	3.88	8.449	45.4027	122.9307	3.2921	399.485536172786
Cond-006158	NPD6201	NPD6201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9442781487	COc1ccc(cc1)C(CCNC(=O)c1cccs1)c1ccco1	InChI=1S/C19H19NO3S/c1-22-15-8-6-14(7-9-15)16(17-4-2-12-23-17)10-11-20-19(21)18-5-3-13-24-18/h2-9,12-13,16H,10-11H2,1H3,(H,20,21)	C19H19NO3S	341.424	4	1	79.71	3	8	0	-0.560799999999999	4.25339	3	4.449	35.3666	96.9087000000001	2.5553	302.195585250918
Cond-006159	NPD6202	NPD6202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8717476399	Nc1cc2c(cc1)nc1c(O)nc(O)nc1n2	InChI=1S/C10H7N5O2/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)	C10H7N5O2	229.195	7	4	118.04	3	0	0	-1.6705	1.74737	1.79	-0.18	9.3513	64.8772	1.5072	165.855972393423
Cond-006160	NPD6204	NPD6204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.415381073	CC(CCc1ccco1)NC(=O)c1coc(=O)cc1	InChI=1S/C14H15NO4/c1-10(4-6-12-3-2-8-18-12)15-14(17)11-5-7-13(16)19-9-11/h2-3,5,7-10H,4,6H2,1H3,(H,15,17)	C14H15NO4	261.273	5	1	68.54	2	6	0	-0.799200000000001	1.80007	2.45	1.799	50.596	70.6517	1.9406	245.426240866945
Cond-006161	NPD6205	NPD6205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2852866682	COC(=O)c1cn(CC(C)n2cc(cc(Br)c2=O)C(=O)OC)c(=O)c(Br)c1	InChI=1S/C17H16Br2N2O6/c1-9(21-8-11(17(25)27-3)5-13(19)15(21)23)6-20-7-10(16(24)26-2)4-12(18)14(20)22/h4-5,7-9H,6H2,1-3H3	C17H16Br2N2O6	504.127	8	0	93.22	2	7	0	0.108699999999998	1.66935	2.23	1.522	105.2546	104.402	2.8445	370.085728907368
Cond-006162	NPD6206	NPD6206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6682017039	C(Cc1ccccc1)(n1cc(cc(Br)c1=O)C(=O)OC)C(=O)O	InChI=1S/C16H14BrNO5/c1-23-16(22)11-8-12(17)14(19)18(9-11)13(15(20)21)7-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3,(H,20,21)	C16H14BrNO5	380.19	6	1	83.91	2	6	0	-0.2864	1.94647	2.45	3.809	61.0304	88.2278	2.3701	302.819138395206
Cond-006163	NPD6207	NPD6207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7050425973	COC(=O)c1cn(CCc2cnc[nH]2)c(=O)c(Br)c1	InChI=1S/C12H12BrN3O3/c1-19-12(18)8-4-10(13)11(17)16(6-8)3-2-9-5-14-7-15-9/h4-7H,2-3H2,1H3,(H,14,15)	C12H12BrN3O3	326.146	6	1	75.29	2	5	0	-0.6487	0.73447	2.01	0.749	56.5467	74.249	1.9747	243.32118430855
Cond-006164	NPD6208	NPD6208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7128712871	COC(=O)c1cn([C@H]2CCCCNC2=O)c(=O)c(Br)c1	InChI=1S/C13H15BrN2O4/c1-20-13(19)8-6-9(14)12(18)16(7-8)10-4-2-3-5-15-11(10)17/h6-7,10H,2-5H2,1H3,(H,15,17)/t10-/m0/s1	C13H15BrN2O4	343.173	6	1	75.71	2	3	0	-1.5962	0.91927	2.12	0.775	69.8342	77.3067	2.1175	271.947094127611
Cond-006165	NPD6209	NPD6209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2629518766	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)/C(=C/c1ccccc1)/c1ccccc1	InChI=1S/C42H56O2/c1-4-5-6-7-8-15-20-33-22-24-38-36-23-21-34-30-35(25-27-42(34,3)39(36)26-28-41(33,38)2)44-40(43)37(32-18-13-10-14-19-32)29-31-16-11-9-12-17-31/h9-14,16-19,21,29,33,35-36,38-39H,4-8,15,20,22-28,30H2,1-3H3/b37-29+/t33?,35-,36?,38?,39?,41+,42-/m0/s1	C42H56O2	592.893	2	0	26.3	6	12	2	-0.426200000000002	11.33707	5.86	18.713	120.4319	184.939999999999	5.1052	632.901385876322
Cond-006166	NPD621	NPD621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4484218361	[C@@H]12CCCC[N+]1(C)CCC[C@@H]2COC(=O)Cc1cc(Br)c(OC)cc1	InChI=1S/C20H29BrNO3/c1-22-10-4-3-7-18(22)16(6-5-11-22)14-25-20(23)13-15-8-9-19(24-2)17(21)12-15/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3/q+1/t16-,18+,22?/m1/s1	C20H29BrNO3+	411.353	4	0	35.53	3	6	0	-1.779	4.18639	3.11	3.637	68.888	104.8814	2.9012	353.930228950352
Cond-006167	NPD6210	NPD6210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8431959475	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)C(Br)CCCC	InChI=1S/C33H55BrOS/c1-5-7-9-10-11-12-13-24-16-18-28-27-17-15-25-23-26(36-31(35)30(34)14-8-6-2)19-21-33(25,4)29(27)20-22-32(24,28)3/h15,24,26-30H,5-14,16-23H2,1-4H3/t24?,26-,27?,28?,29?,30?,32+,33-/m0/s1	C33H55BrOS	579.758	1	0	42.37	4	13	2	-0.221200000000002	11.05818	4.76	13.976	144.3321	164.785	4.6351	571.20806888533
Cond-006168	NPD6211	NPD6211	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3944278149	CCCCCCCCC1CCC2C3CC(Br)C4(Br)C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(C)CC	InChI=1S/C33H56Br2O2/c1-6-8-9-10-11-12-13-24-14-15-27-26-21-29(34)33(35)22-25(37-30(36)20-23(3)7-2)16-19-32(33,5)28(26)17-18-31(24,27)4/h23-29H,6-22H2,1-5H3/t23?,24?,25-,26?,27?,28?,29?,31+,32+,33?/m0/s1	C33H56Br2O2	644.605	2	0	26.3	4	12	2	0.7896	10.86869	4.65	14.614	146.2016	166.671	4.7483	583.409349206657
Cond-006169	NPD6212	NPD6212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6785632052	CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)SC(=O)Oc1ccccc1	InChI=1S/C34H50O2S/c1-4-5-6-7-8-10-13-25-17-19-30-29-18-16-26-24-28(37-32(35)36-27-14-11-9-12-15-27)20-22-34(26,3)31(29)21-23-33(25,30)2/h9,11-12,14-16,25,28-31H,4-8,10,13,17-24H2,1-3H3/t25?,28-,29?,30?,31?,33+,34-/m0/s1	C34H50O2S	522.825	2	0	51.6	5	11	2	0.410599999999999	10.47687	4.87	14.211	119.128	154.474	4.4221	546.844826430991
Cond-006170	NPD6213	NPD6213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7708956942	CC(=O)OCC(=O)[C@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C26H34O6/c1-15-12-19-20(24(4)9-6-18(29)13-22(15)24)7-10-25(5)21(19)8-11-26(25,32-17(3)28)23(30)14-31-16(2)27/h13,19-21H,1,6-12,14H2,2-5H3/t19?,20?,21?,24-,25+,26+/m1/s1	C26H34O6	442.545	6	0	86.74	4	6	0	0.917999999999999	4.20477000000001	3.66	3.801	117.5235	120.073	3.4318	445.748832168703
Cond-006171	NPD6214	NPD6214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9433571264	[C@@H](N)(CCC(=O)O)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C26H37NO8/c1-24-9-7-15(28)11-14(24)3-4-16-17-8-10-26(34,25(17,2)12-19(29)22(16)24)20(30)13-35-23(33)18(27)5-6-21(31)32/h11,16-19,22,29,34H,3-10,12-13,27H2,1-2H3,(H,31,32)/t16?,17?,18-,19?,22?,24+,25+,26+/m1/s1	C26H37NO8	491.574	9	5	164.22	4	8	0	-2.1524	1.68468	3.33	-0.239	122.3188	126.8338	3.692	476.962504478792
Cond-006172	NPD6216	NPD6216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8680635505	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(=O)c4ccccc4)C3CC=C2C1	InChI=1S/C28H34O3/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)26(30)19-7-5-4-6-8-19/h4-9,12,21-24H,10-11,13-17H2,1-3H3/t21?,22?,23?,24?,27-,28-/m0/s1	C28H34O3	418.568	3	0	43.37	5	4	1	0.598299999999997	6.38637000000001	4.21	7.79	96.5412	124.1985	3.3859	428.077203917153
Cond-006173	NPD6217	NPD6217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.748330647	CSCCC(NC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O	InChI=1S/C35H48N6O8S/c1-35(2,3)49-29(42)16-15-26(30(43)40-28(32(45)46)14-9-18-38-33(36)37)39-31(44)27(17-19-50-4)41-34(47)48-20-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,25-28H,9,14-20H2,1-4H3,(H,39,44)(H,40,43)(H,41,47)(H,45,46)(H4,36,37,38)	C35H48N6O8S	712.856	14	8	247.33	3	25	4	-2.0155	2.71586	3.66	5.046	125.2507	193.5297	5.43020000000001	678.220439005222
Cond-006174	NPD6218	NPD6218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4234400184	CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)OCC(=O)c1ccccc1	InChI=1S/C33H44N4O8/c1-5-22(4)29(37-33(43)45-19-23-12-8-6-9-13-23)31(41)35-25(16-17-28(34)39)30(40)36-26(18-21(2)3)32(42)44-20-27(38)24-14-10-7-11-15-24/h6-15,21-22,25-26,29H,5,16-20H2,1-4H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,43)	C33H44N4O8	624.724	12	5	182.99	2	23	3	-2.5328	2.29329	3.77	6.213	105.5236	168.58	4.89390000000001	615.482383980357
Cond-006175	NPD6219	NPD6219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0787474096	COC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	InChI=1S/C26H41N3O7/c1-18(2)16-21(23(31)34-6)28-22(30)20(14-10-11-15-27-24(32)36-26(3,4)5)29-25(33)35-17-19-12-8-7-9-13-19/h7-9,12-13,18,20-21H,10-11,14-17H2,1-6H3,(H,27,32)(H,28,30)(H,29,33)	C26H41N3O7	507.62	10	3	132.06	1	20	2	-0.0845000000000014	2.93879	3.22	5.773	100.0404	137.1381	4.0727	511.062256895364
Cond-006176	NPD622	NPD622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6640698655	Brc1ccc(cc1)C1Nc2c(cccc2C(=O)N2CCOCC2)C2C=CCC12	InChI=1S/C23H23BrN2O2/c24-16-9-7-15(8-10-16)21-18-4-1-3-17(18)19-5-2-6-20(22(19)25-21)23(27)26-11-13-28-14-12-26/h1-3,5-10,17-18,21,25H,4,11-14H2	C23H23BrN2O2	439.345	4	1	41.57	5	3	1	-0.231299999999999	4.30148	3.44	5.02	64.9729	115.6317	2.9543	360.547734780358
Cond-006177	NPD6220	NPD6220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.5562974902	CC(CC=C(c1ccccc1)c1ccccc1)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C36H44O/c1-25(14-16-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27)32-18-19-33-31-17-15-28-24-29(37)20-22-35(28,2)34(31)21-23-36(32,33)3/h4-13,16,24-25,31-34H,14-15,17-23H2,1-3H3/t25?,31?,32?,33?,34?,35-,36+/m0/s1	C36H44O	492.734	1	0	17.07	6	5	1	1.7495	9.26997	5.31	15.421	103.5879	155.855	4.2011	520.335251420564
Cond-006178	NPD6221	NPD6221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1641722312	CC(CC=C(c1ccccc1)c1ccccc1)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)C	InChI=1S/C38H48O2/c1-26(15-17-32(28-11-7-5-8-12-28)29-13-9-6-10-14-29)34-19-20-35-33-18-16-30-25-31(40-27(2)39)21-23-37(30,3)36(33)22-24-38(34,35)4/h5-14,16-17,26,31,33-36H,15,18-25H2,1-4H3/t26?,31?,33?,34?,35?,36?,37-,38+/m0/s1	C38H48O2	536.787	2	0	26.3	6	7	1	1.4724	9.63257	5.42	16.168	112.207	166.402	4.54160000000001	563.717447372857
Cond-006179	NPD6222	NPD6222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.1680865761	CC1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O/C/1=C(/C)\CC(I)CNC(=O)C	InChI=1S/C31H46INO4/c1-17(13-22(32)16-33-19(3)34)29-18(2)28-27(37-29)15-26-24-8-7-21-14-23(36-20(4)35)9-11-30(21,5)25(24)10-12-31(26,28)6/h7,18,22-28H,8-16H2,1-6H3,(H,33,34)/b29-17-/t18?,22?,23?,24?,25?,26?,27?,28?,30-,31-/m0/s1	C31H46INO4	623.606	5	1	64.63	5	7	1	1.9639	6.83197000000001	4.21	6.821	152.5242	156.6787	4.3543	543.838322476146
Cond-006180	NPD6223	NPD6223	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	19.2493667971	CC(CCC1=C(C)C2C(C)(CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]23C)O1)CNC(=O)C	InChI=1S/C30H47NO3/c1-18(17-31-20(3)32)7-10-26-19(2)27-29(5)14-12-24-23(25(29)16-30(27,6)34-26)9-8-21-15-22(33)11-13-28(21,24)4/h8,18,22-25,27,33H,7,9-17H2,1-6H3,(H,31,32)/t18?,22?,23?,24?,25?,27?,28-,29-,30?/m0/s1	C30H47NO3	469.699	4	2	58.56	5	6	1	0.708499999999998	6.23777000000001	4.32	5.679	135.2694	138.5575	3.9395	495.111768180254
Cond-006181	NPD6224	NPD6224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.5687312917	CCC(=O)OC1CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C	InChI=1S/C22H30O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h9,11,13,16-19H,4-8,10,12H2,1-3H3/t16?,17?,18?,19?,21-,22-/m0/s1	C22H30O3	342.472	3	0	43.37	4	3	1	0.980699999999998	4.70237000000001	3.55	5.096	96.942	99.4900000000001	2.7781	355.467130965152
Cond-006182	NPD6225	NPD6225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1130554916	CC(=O)[C@@]1(O)CCC2C3C[C@@H]4O[C@]54CC4(CC[C@]5(C)C3CC[C@]12C)OCCO4	InChI=1S/C23H34O5/c1-14(24)22(25)7-5-16-15-12-18-23(28-18)13-21(26-10-11-27-21)9-8-20(23,3)17(15)4-6-19(16,22)2/h15-18,25H,4-13H2,1-3H3/t15?,16?,17?,18-,19-,20+,22-,23-/m0/s1	C23H34O5	390.513	5	1	68.29	6	1	0	-0.469000000000002	3.45749	3.44	2.369	99.0164	104.7328	2.9482	373.540027692941
Cond-006183	NPD6226	NPD6226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5406401105	C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15?,16?,17?,18-/m0/s1	C18H24O2	272.382	2	1	37.3	4	0	0	0.1788	3.63957	3.22	2.337	79.3047	80.8488000000001	2.1988	280.129424461923
Cond-006184	NPD6228	NPD6228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.9385217592	[C@@H]12CCC3C4C[C@H]5OC(C)(C)O[C@@]5(C(=O)COC(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C26H40O6/c1-15(27)30-14-21(29)26-22(31-23(2,3)32-26)13-20-18-7-6-16-12-17(28)8-10-24(16,4)19(18)9-11-25(20,26)5/h16-20,22,28H,6-14H2,1-5H3/t16-,17?,18?,19?,20?,22+,24-,25-,26+/m0/s1	C26H40O6	448.592	6	1	82.06	5	4	0	-0.599999999999998	4.25629000000001	3.66	4.822	114.5217	120.7678	3.4952	443.938208271103
Cond-006185	NPD6229	NPD6229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.544784711	C[C@]12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O	InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16?,17?,19-/m0/s1	C20H26O3	314.419	3	0	35.53	5	0	0	0.790000000000002	4.02177	3.33	1.987	88.2697	89.477	2.4307	311.155161713418
Cond-006186	NPD623	NPD623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.2942825383	COc1ccccc1COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C23H18O4/c1-25-21-10-6-5-9-17(21)15-26-18-11-12-19-20(16-7-3-2-4-8-16)14-23(24)27-22(19)13-18/h2-14H,15H2,1H3	C23H18O4	358.387	4	0	44.76	4	5	1	-0.1199	5.39287	3.55	7.323	28.9622	108.737	2.6767	330.39813138598
Cond-006187	NPD6230	NPD6230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.813032466	COc1c(cc2C3CC[C@]4(C)C(CCC4C3CCc2c1)OC(=O)C)C(=O)C	InChI=1S/C23H30O4/c1-13(24)18-12-19-15(11-21(18)26-4)5-6-17-16(19)9-10-23(3)20(17)7-8-22(23)27-14(2)25/h11-12,16-17,20,22H,5-10H2,1-4H3/t16?,17?,20?,22?,23-/m0/s1	C23H30O4	370.482	4	0	52.6	4	4	1	0.0637999999999978	5.42028000000001	3.55	5.407	77.2692	108.4735	2.9347	368.01688359078
Cond-006188	NPD6231	NPD6231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.1568040525	[C@@H]12CCC3C4CC5OC(=C(C)C5[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C)CCC(C)CNC(=O)C	InChI=1S/C31H49NO4/c1-18(17-32-20(3)33)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)34)11-13-30(22,5)25(24)12-14-31(26,29)6/h18,22-26,28-29H,7-17H2,1-6H3,(H,32,33)/t18?,22-,23?,24?,25?,26?,28?,29?,30-,31-/m0/s1	C31H49NO4	499.725	5	1	64.63	5	8	1	1.0101	6.57218000000001	4.32	7.267	136.754	143.7817	4.1391	521.197979506681
Cond-006189	NPD6232	NPD6232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.6101772968	Cc1n[nH]c2c1[C@@]1(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1C2	InChI=1S/C21H30N2O/c1-12-19-18(23-22-12)11-17-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-17,24H,5-11H2,1-3H3,(H,22,23)/t14?,15?,16?,17?,20-,21-/m0/s1	C21H30N2O	326.476	3	2	48.91	5	0	1	0.229899999999998	3.67931000000001	3.44	5.049	81.9777	95.1218000000001	2.6538	321.964213354497
Cond-006190	NPD6233	NPD6233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8593138384	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(Cc5c4c(C)nn5C(=O)C)C3CC=C2C1	InChI=1S/C25H34N2O3/c1-14-23-22(27(26-14)15(2)28)13-21-19-7-6-17-12-18(30-16(3)29)8-10-24(17,4)20(19)9-11-25(21,23)5/h6,18-21H,7-13H2,1-5H3/t18?,19?,20?,21?,24-,25-/m0/s1	C25H34N2O3	410.549	5	0	61.19	5	3	1	0.404500000000002	5.09940000000001	3.66	5.356	100.6951	117.4195	3.2488	403.455687857486
Cond-006191	NPD6234	NPD6234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.5588303016	[C@@H]12CCC3C4Cc5c(c(C)n[nH]5)[C@@]4(C)CCC3[C@@]1(C)CCC(O)C2	InChI=1S/C21H32N2O/c1-12-19-18(23-22-12)11-17-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-17,24H,4-11H2,1-3H3,(H,22,23)/t13-,14?,15?,16?,17?,20-,21-/m0/s1	C21H32N2O	328.492	3	2	48.91	5	0	1	0.293600000000002	3.83302000000001	3.44	6.314	79.3066	95.4158000000001	2.6968	324.600672055297
Cond-006192	NPD6235	NPD6235	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9670734515	[C@@H]12CCC3C4Cc5c(c(C)nn5C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C25H36N2O3/c1-14-23-22(27(26-14)15(2)28)13-21-19-7-6-17-12-18(30-16(3)29)8-10-24(17,4)20(19)9-11-25(21,23)5/h17-21H,6-13H2,1-5H3/t17-,18?,19?,20?,21?,24-,25-/m0/s1	C25H36N2O3	412.565	5	0	61.19	5	3	1	0.468200000000005	5.25311000000001	3.66	6.621	98.024	117.7135	3.2918	406.092146558286
Cond-006193	NPD6236	NPD6236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8431959475	CN(C)[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(=O)C	InChI=1S/C23H37NO2/c1-14(25)21-20(24(4)5)13-19-17-7-6-15-12-16(26)8-10-22(15,2)18(17)9-11-23(19,21)3/h6,16-21,26H,7-13H2,1-5H3/t16?,17?,18?,19?,20-,21?,22+,23+/m1/s1	C23H37NO2	359.545	3	1	40.54	4	2	0	0.172799999999996	4.21548000000001	3.66	3.943	104.6129	107.7118	3.0461	380.242566500225
Cond-006194	NPD6237	NPD6237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.3557448768	[C@@H]12CCC3C4CCC5(OCCO5)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C23H36O4/c1-15(24)27-17-6-9-21(2)16(14-17)4-5-18-19(21)7-10-22(3)20(18)8-11-23(22)25-12-13-26-23/h16-20H,4-14H2,1-3H3/t16-,17?,18?,19?,20?,21-,22-/m0/s1	C23H36O4	376.53	4	0	44.76	5	2	1	0.293799999999999	4.93779000000001	3.55	5.897	96.8868	105.159	2.9981	377.10625969318
Cond-006195	NPD6238	NPD6238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.6654386369	[C@@H]12CCC3C4C[C@@H](Br)C(=O)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,20-,21-/m0/s1	C21H31BrO3	411.373	3	0	43.37	4	2	1	1.3147	5.13719	3.33	5.655	96.2799	103.629	2.8982	362.727682718452
Cond-006196	NPD624	NPD624	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.369827646	COc1cc(cc(OC)c1OC)c1cc(=O)c2c(C)oc(C)c2c(O)c1	InChI=1S/C20H20O6/c1-10-18-14(21)6-12(7-15(22)19(18)11(2)26-10)13-8-16(23-3)20(25-5)17(9-13)24-4/h6-9,21H,1-5H3	C20H20O6	356.369	6	1	78.13	3	4	0	0.375899999999999	3.17872	3	2.253	61.325	98.5918	2.609	327.256465712702
Cond-006197	NPD6240	NPD6240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.726226111	CC(C)c1ccc(cc1)/C=C/C(=O)c1c(O)cc(C)oc1=O	InChI=1S/C18H18O4/c1-11(2)14-7-4-13(5-8-14)6-9-15(19)17-16(20)10-12(3)22-18(17)21/h4-11,20H,1-3H3/b9-6+	C18H18O4	298.333	4	1	63.6	2	4	1	0.7487	3.56856	3	6.141	62.2318	85.7168	2.3184	298.340501760645
Cond-006198	NPD6241	NPD6241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.4886023486	Cc1cc(O)c(c(=O)o1)C1=Nc2c(SC(C1)c1cc(Br)ccc1O)cccc2	InChI=1S/C21H16BrNO4S/c1-11-8-17(25)20(21(26)27-11)15-10-19(13-9-12(22)6-7-16(13)24)28-18-5-3-2-4-14(18)23-15/h2-9,19,24-25H,10H2,1H3	C21H16BrNO4S	458.325	5	2	104.42	4	2	0	0.9764	5.80516	3	4.619	65.8819	117.4878	2.8762	358.132024078379
Cond-006199	NPD6243	NPD6243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8208611559	COc1ccc(cc1OC)C1CC(=NCCS1)c1c(O)cc(C)oc1=O	InChI=1S/C19H21NO5S/c1-11-8-14(21)18(19(22)25-11)13-10-17(26-7-6-20-13)12-4-5-15(23-2)16(9-12)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3	C19H21NO5S	375.439	6	1	102.65	3	4	0	0.243299999999998	3.34067	2.78	2.428	78.5874	103.0928	2.7157	344.212497352841
Cond-006200	NPD6244	NPD6244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4011052268	CN1C(=O)C(Cc2c[nH]c3c2cccc3)N=C1S	InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)	C13H13N3OS	259.327	4	1	87.26	3	2	0	0.0165000000000002	1.99398	2.34	1.696	39.5177	79.698	1.8781	219.005661912528
Cond-006201	NPD6245	NPD6245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9732903523	OCC1=C(C(=O)O)C2(O)C(=O)c3c(cccc3)C2(O)O1	InChI=1S/C13H10O7/c14-5-8-9(11(16)17)12(18)10(15)6-3-1-2-4-7(6)13(12,19)20-8/h1-4,14,18-19H,5H2,(H,16,17)	C13H10O7	278.214	7	4	124.29	3	2	0	-2.4665	-1.06072	2.12	0.692	39.6202	64.6467	1.7674	231.147717433795
Cond-006202	NPD6246	NPD6246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6511627907	OC(=O)C1CC(=NC(CS1)C(=O)O)c1ccccc1	InChI=1S/C13H13NO4S/c15-12(16)10-7-19-11(13(17)18)6-9(14-10)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,15,16)(H,17,18)	C13H13NO4S	279.312	5	2	112.26	2	3	0	-0.2624	1.65058	2.23	2.029	44.7422	76.9596000000001	1.9632	246.639280298678
Cond-006203	NPD6247	NPD6247	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6009670735	CC(C)COc1ccc(cc1)C(=O)OC[C@H]1CCC[N+]2(C)CCCCC12	InChI=1S/C22H34NO3/c1-17(2)15-25-20-11-9-18(10-12-20)22(24)26-16-19-7-6-14-23(3)13-5-4-8-21(19)23/h9-12,17,19,21H,4-8,13-16H2,1-3H3/q+1/t19-,21?,23?/m1/s1	C22H34NO3+	360.51	4	0	35.53	3	7	0	-2.2204	4.25569000000001	3.44	4.289	69.023	106.3604	3.008	369.238579224519
Cond-006204	NPD6248	NPD6248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5166935298	CCCCOc1c(OC)cc(cc1)C(=O)OC[C@H]1CCC[N+]2(C)CCCCC12	InChI=1S/C23H36NO4/c1-4-5-15-27-21-12-11-18(16-22(21)26-3)23(25)28-17-19-9-8-14-24(2)13-7-6-10-20(19)24/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/q+1/t19-,20?,24?/m1/s1	C23H36NO4+	390.536	5	0	44.76	3	9	0	-3.3698	4.40839000000001	3.44	4.117	73.7929	112.9824	3.2076	395.324790550947
Cond-006205	NPD6249	NPD6249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2680174994	CC(Cc1ccccc1)NCCC(=O)NC(C)Cc1ccccc1	InChI=1S/C21H28N2O/c1-17(15-19-9-5-3-6-10-19)22-14-13-21(24)23-18(2)16-20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3,(H,23,24)	C21H28N2O	324.46	3	2	41.13	2	10	1	-0.882199999999998	3.57859	3.44	7.45	48.3269	103.2214	2.8076	337.587754653696
Cond-006206	NPD625	NPD625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2423309838	COc1ccc(CCNC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC	InChI=1S/C22H27N3O4/c1-28-19-7-6-15(11-20(19)29-2)8-9-23-22(27)24-12-16-10-17(14-24)18-4-3-5-21(26)25(18)13-16/h3-7,11,16-17H,8-10,12-14H2,1-2H3,(H,23,27)/t16-,17+/m1/s1	C22H27N3O4	397.467	7	1	71.11	4	7	0	-1.2318	2.27617	3.11	1.162	85.6771	111.4577	3.0072	378.438262187813
Cond-006207	NPD6250	NPD6250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2760764449	O=C(N[C@@H]1CCCCNC1=O)c1coc(=O)cc1	InChI=1S/C12H14N2O4/c15-10-5-4-8(7-18-10)11(16)14-9-3-1-2-6-13-12(9)17/h4-5,7,9H,1-3,6H2,(H,13,17)(H,14,16)/t9-/m1/s1	C12H14N2O4	250.251	6	2	84.5	2	3	0	-2.2579	-0.14553	2.12	0.309	56.5282	64.8094	1.8016	235.367490524178
Cond-006208	NPD6252	NPD6252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.866682017	Cc1cc(=O)oc(C)c1C(=O)NCCCC(=O)O	InChI=1S/C12H15NO5/c1-7-6-10(16)18-8(2)11(7)12(17)13-5-3-4-9(14)15/h6H,3-5H2,1-2H3,(H,13,17)(H,14,15)	C12H15NO5	253.251	6	2	92.7	1	6	0	-0.134900000000001	0.83077	2.12	0.267	61.8097	65.1315	1.8691	245.517415717372
Cond-006209	NPD6253	NPD6253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9603960396	C[C@H](NC(=O)c1c(C)oc(=O)cc1C)c1ccccc1	InChI=1S/C16H17NO3/c1-10-9-14(18)20-12(3)15(10)16(19)17-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,19)/t11-/m0/s1	C16H17NO3	271.311	4	1	55.4	2	4	0	0.347399999999999	2.38607	2.78	3.737	51.714	77.4737	2.1207	268.591524717317
Cond-006210	NPD6254	NPD6254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.29979277	COC(=O)c1ccccc1NC(=O)c1c(C)oc(=O)cc1C	InChI=1S/C16H15NO5/c1-9-8-13(18)22-10(2)14(9)15(19)17-12-7-5-4-6-11(12)16(20)21-3/h4-8H,1-3H3,(H,17,19)	C16H15NO5	301.294	6	1	81.7	2	5	0	0.357699999999999	2.87516	2.56	2.899	54.4058	81.9062	2.1951	283.535519417639
Cond-006211	NPD6255	NPD6255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4036380382	Cc1cc(=O)oc(C)c1C(=O)NCC(=O)O	InChI=1S/C10H11NO5/c1-5-3-8(14)16-6(2)9(5)10(15)11-4-7(12)13/h3H,4H2,1-2H3,(H,11,15)(H,12,13)	C10H11NO5	225.198	6	2	92.7	1	4	0	-0.0951000000000012	0.05057	1.9	-0.249	54.1987	55.8975	1.5873	210.925446465639
Cond-006212	NPD6256	NPD6256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0377619157	Cc1cc(=O)oc(C)c1C(=O)Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1	InChI=1S/C22H15NO5/c1-11-10-17(24)28-12(2)18(11)22(27)23-16-9-5-8-15-19(16)21(26)14-7-4-3-6-13(14)20(15)25/h3-10H,1-2H3,(H,23,27)	C22H15NO5	373.358	6	1	89.54	4	3	0	-0.1811	3.86396	3.22	3.557	53.1094	103.8737	2.6513	341.15267496804
Cond-006213	NPD6257	NPD6257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3930462814	Cc1cc(=O)oc(C)c1C(=O)NCCCCNC(=O)c1c(C)oc(=O)cc1C	InChI=1S/C20H24N2O6/c1-11-9-15(23)27-13(3)17(11)19(25)21-7-5-6-8-22-20(26)18-12(2)10-16(24)28-14(18)4/h9-10H,5-8H2,1-4H3,(H,21,25)(H,22,26)	C20H24N2O6	388.414	8	2	110.8	2	9	0	0.1402	1.49185	2.78	1.244	100.0824	102.5144	2.9172	383.406444829835
Cond-006214	NPD6258	NPD6258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1404559061	Cc1cc(=O)oc2c1ccc(NC(=O)c1c(C)oc(=O)cc1C)c2	InChI=1S/C18H15NO5/c1-9-6-16(21)24-14-8-12(4-5-13(9)14)19-18(22)17-10(2)7-15(20)23-11(17)3/h4-8H,1-3H3,(H,19,22)	C18H15NO5	325.315	6	1	81.7	3	3	0	1.0629	3.12885	2.78	2.462	63.2346	90.6087	2.3253	303.134571267773
Cond-006215	NPD6259	NPD6259	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0916417223	COC(=O)c1cn(CC(=O)O)c(=O)cc1	InChI=1S/C9H9NO5/c1-15-9(14)6-2-3-7(11)10(4-6)5-8(12)13/h2-4H,5H2,1H3,(H,12,13)	C9H9NO5	211.171	6	1	83.91	1	4	0	-0.9529	-0.38743	1.79	-0.735	49.7949	51.2908	1.4464	193.629461839772
Cond-006216	NPD626	NPD626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.0327745809	[C@@H]12CCN(C)C[C@H]1c1cc(C)ccc1N2C(=S)Nc1ccc(OC)cc1	InChI=1S/C21H25N3OS/c1-14-4-9-19-17(12-14)18-13-23(2)11-10-20(18)24(19)21(26)22-15-5-7-16(25-3)8-6-15/h4-9,12,18,20H,10-11,13H2,1-3H3,(H,22,26)/t18-,20+/m0/s1	C21H25N3OS	367.508	4	1	59.83	4	4	1	0.355800000000001	4.75580000000001	3.22	5.311	57.8828	112.9037	2.8537	342.380621517863
Cond-006217	NPD6260	NPD6260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8998388211	COC(=O)c1cn(CCc2ccc(O)c(O)c2)c(=O)c(Br)c1	InChI=1S/C15H14BrNO5/c1-22-15(21)10-7-11(16)14(20)17(8-10)5-4-9-2-3-12(18)13(19)6-9/h2-3,6-8,18-19H,4-5H2,1H3	C15H14BrNO5	368.179	6	2	87.07	2	5	0	-0.6053	1.90447	2.34	1.772	59.9161	85.0006	2.2722	288.159612470139
Cond-006218	NPD6261	NPD6261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5074833065	CCN(CC)CCNc1ncnc2c1[nH]c1c2cccc1	InChI=1S/C16H21N5/c1-3-21(4-2)10-9-17-16-15-14(18-11-19-16)12-7-5-6-8-13(12)20-15/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,17,18,19)	C16H21N5	283.371	5	2	56.84	3	6	0	-0.0989999999999997	3.59847	2.67	2.484	38.9034	91.2277000000001	2.2782	254.687885448301
Cond-006219	NPD6262	NPD6262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.8316831683	COc1cc2c([nH]c3c2ncnc3NCc2c(OC)cccc2)cc1	InChI=1S/C19H18N4O2/c1-24-13-7-8-15-14(9-13)17-18(23-15)19(22-11-21-17)20-10-12-5-3-4-6-16(12)25-2/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)	C19H18N4O2	334.372	6	2	72.06	4	5	0	-0.9328	4.69007	2.89	3.172	25.9438	103.3937	2.4809	281.993697715657
Cond-006220	NPD6264	NPD6264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.4280451301	CC12CC(CC(C)(C)C1)N(C2)c1ncnc2c1[nH]c1c2cc(Br)cc1	InChI=1S/C20H23BrN4/c1-19(2)7-13-8-20(3,9-19)10-25(13)18-17-16(22-11-23-18)14-6-12(21)4-5-15(14)24-17/h4-6,11,13,24H,7-10H2,1-3H3	C20H23BrN4	399.327	4	1	44.81	5	1	1	2.2102	6.01227000000001	3.11	5.037	58.9863	109.523	2.6998	307.445765319569
Cond-006221	NPD6265	NPD6265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9576329726	CC1CC(=CCC1/C=N/n1c(=O)[nH]c2c([nH]c3ccc(Br)cc23)c1=O)CCC=C(C)C	InChI=1S/C24H27BrN4O2/c1-14(2)5-4-6-16-7-8-17(15(3)11-16)13-26-29-23(30)22-21(28-24(29)31)19-12-18(25)9-10-20(19)27-22/h5,7,9-10,12-13,15,17,27H,4,6,8,11H2,1-3H3,(H,28,31)/b26-13+	C24H27BrN4O2	483.401	6	2	77.56	4	5	1	2.2017	6.99654000000001	3.33	6.429	94.6295	133.7492	3.3604	409.557239822558
Cond-006222	NPD6266	NPD6266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5286668202	COC(=O)Cn1cnc2c([nH]c3c2cccc3)c1=O	InChI=1S/C13H11N3O3/c1-19-10(17)6-16-7-14-11-8-4-2-3-5-9(8)15-12(11)13(16)18/h2-5,7,15H,6H2,1H3	C13H11N3O3	257.245	6	1	74.76	3	3	0	-1.28	1.51137	2.23	1.686	34.8429	75.0345	1.789	215.44063255525
Cond-006223	NPD6267	NPD6267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4720239466	O=c1n(CC2CCCO2)cnc2c1[nH]c1c2cccc1	InChI=1S/C15H15N3O2/c19-15-14-13(11-5-1-2-6-12(11)17-14)16-9-18(15)8-10-4-3-7-20-10/h1-2,5-6,9-10,17H,3-4,7-8H2	C15H15N3O2	269.298	5	1	57.69	4	2	0	-1.8467	2.25187	2.56	2.336	38.5571	81.771	1.9465	231.522375106423
Cond-006224	NPD6268	NPD6268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7706654386	Cc1cc2c([nH]c3c2ncn(CCO)c3=O)cc1	InChI=1S/C13H13N3O2/c1-8-2-3-10-9(6-8)11-12(15-10)13(18)16(4-5-17)7-14-11/h2-3,6-7,15,17H,4-5H2,1H3	C13H13N3O2	243.261	5	2	68.69	3	2	0	-0.8845	1.09319	2.34	1.597	35.7836	73.5228	1.7733	209.286864555489
Cond-006225	NPD6269	NPD6269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1812111444	Cc1cc2c([nH]c3c2ncn(CC2CCCO2)c3=O)cc1	InChI=1S/C16H17N3O2/c1-10-4-5-13-12(7-10)14-15(18-13)16(20)19(9-17-14)8-11-3-2-6-21-11/h4-5,7,9,11,18H,2-3,6,8H2,1H3	C16H17N3O2	283.325	5	1	57.69	4	2	0	-1.2047	2.27989	2.67	2.659	44.0592	85.411	2.0874	248.81835973229
Cond-006226	NPD627	NPD627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.1674840427	CC(C)[C@@]12CN3C[C@](CN(C1)C13C(=O)Nc3c1cccc3)(C(C)C)C2=O	InChI=1S/C21H27N3O2/c1-13(2)19-9-23-11-20(14(3)4,17(19)25)12-24(10-19)21(23)15-7-5-6-8-16(15)22-18(21)26/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)/t19-,20+,21?	C21H27N3O2	353.458	5	1	52.65	2	2	0	-0.3996	2.83779	3.22	2.338	73.5095	102.4187	2.7263	336.478282861624
Cond-006227	NPD6270	NPD6270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4232097628	Cc1cc2c([nH]c3c2ncn(CCc2c[nH]c4c2cccc4)c3=O)cc1	InChI=1S/C21H18N4O/c1-13-6-7-18-16(10-13)19-20(24-18)21(26)25(12-23-19)9-8-14-11-22-17-5-3-2-4-15(14)17/h2-7,10-12,22,24H,8-9H2,1H3	C21H18N4O	342.394	5	2	64.25	5	3	0	-0.600599999999999	3.74818	3.22	4.593	36.2586	109.913	2.5524	292.80252286523
Cond-006228	NPD6271	NPD6271	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.1040755238	CN(C)CCn1cnc2c([nH]c3c2cc(Br)cc3)c1=O	InChI=1S/C14H15BrN4O/c1-18(2)5-6-19-8-16-12-10-7-9(15)3-4-11(10)17-13(12)14(19)20/h3-4,7-8,17H,5-6H2,1-2H3	C14H15BrN4O	335.199	5	1	51.7	3	3	0	0.0404000000000005	2.39697	2.34	2.059	50.6074	89.051	2.1303	248.073001666528
Cond-006229	NPD6272	NPD6272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2574257426	OCCCn1cnc2c([nH]c3c2cc(Br)cc3)c1=O	InChI=1S/C13H12BrN3O2/c14-8-2-3-10-9(6-8)11-12(16-10)13(19)17(7-15-11)4-1-5-18/h2-3,6-7,16,18H,1,4-5H2	C13H12BrN3O2	322.157	5	2	68.69	3	3	0	-0.9257	2.21777	2.23	1.855	41.7922	82.1998	1.9483	228.570483533056
Cond-006230	NPD6273	NPD6273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7416532351	Brc1cc2c([nH]c3c2ncn(CCc2c[nH]cn2)c3=O)cc1	InChI=1S/C15H12BrN5O/c16-9-1-2-12-11(5-9)13-14(20-12)15(22)21(8-19-13)4-3-10-6-17-7-18-10/h1-2,5-8,20H,3-4H2,(H,17,18)	C15H12BrN5O	358.193	6	2	77.14	4	3	0	-0.8974	2.31927	2.34	2.319	37.8154	93.221	2.1764	247.836370398162
Cond-006231	NPD6274	NPD6274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2972599586	COCCCn1cnc2c([nH]c3c2cc(Br)cc3)c1=O	InChI=1S/C14H14BrN3O2/c1-20-6-2-5-18-8-16-12-10-7-9(15)3-4-11(10)17-13(12)14(18)19/h3-4,7-8,17H,2,5-6H2,1H3	C14H14BrN3O2	336.184	5	1	57.69	3	4	0	-0.517199999999999	2.87187	2.34	2.374	46.5434	86.99	2.0892	245.866468158923
Cond-006232	NPD6276	NPD6276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3430808197	CC(C)OCCCn1cnc2c([nH]c3c2cc(Br)cc3)c1=O	InChI=1S/C16H18BrN3O2/c1-10(2)22-7-3-6-20-9-18-14-12-8-11(17)4-5-13(12)19-15(14)16(20)21/h4-5,8-10,19H,3,6-7H2,1-2H3	C16H18BrN3O2	364.237	5	1	57.69	3	5	0	-0.567299999999999	3.65047	2.56	3.257	56.042	96.202	2.371	280.458437410657
Cond-006233	NPD6277	NPD6277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.629979277	COCCn1cnc2c([nH]c3c2cc(Br)cc3)c1=O	InChI=1S/C13H12BrN3O2/c1-19-5-4-17-7-15-11-9-6-8(14)2-3-10(9)16-12(11)13(17)18/h2-3,6-7,16H,4-5H2,1H3	C13H12BrN3O2	322.157	5	1	57.69	3	3	0	-0.229199999999999	2.48177	2.23	2.016	43.6318	82.373	1.9483	228.570483533056
Cond-006234	NPD6278	NPD6278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0419065162	Clc1cc2c([nH]c3c2ncn(CCc2c[nH]cn2)c3=O)cc1	InChI=1S/C15H12ClN5O/c16-9-1-2-12-11(5-9)13-14(20-12)15(22)21(8-19-13)4-3-10-6-17-7-18-10/h1-2,5-8,20H,3-4H2,(H,17,18)	C15H12ClN5O	313.742	6	2	77.14	4	3	0	-1.0419	2.21017	2.34	1.981	34.8319	90.531	2.1238	243.763819191028
Cond-006235	NPD6279	NPD6279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2601888096	CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2nc3c(n2CC)c(=O)[nH]c(=O)n3C)c2c([nH]1)ccc(OC)c2	InChI=1S/C26H32N8O6/c1-5-34-21-22(31(3)26(38)30-23(21)36)29-25(34)33-11-9-32(10-12-33)14-18(35)28-19-16-13-15(39-4)7-8-17(16)27-20(19)24(37)40-6-2/h7-8,13,27H,5-6,9-12,14H2,1-4H3,(H,28,35)(H,30,36,38)	C26H32N8O6	552.582	14	3	154.13	5	10	1	-1.2574	2.85905000000001	2.78	0.694	97.0156	154.2569	3.9496	478.120620330036
Cond-006236	NPD628	NPD628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.778561041	CC(C)C(=O)Nc1cc(ccc1)C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1cccc(NC(=O)C(C)C)c1	InChI=1S/C32H32N2O4/c1-21(2)31(37)33-27-9-5-7-25(19-27)29(35)17-15-23-11-13-24(14-12-23)16-18-30(36)26-8-6-10-28(20-26)34-32(38)22(3)4/h5-22H,1-4H3,(H,33,37)(H,34,38)/b17-15+,18-16+	C32H32N2O4	508.607	6	2	92.34	3	12	2	0.3936	6.27077000000001	4.32	8.08	76.2352	153.8879	4.08100000000001	509.866137332714
Cond-006237	NPD6280	NPD6280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4390973981	OCCC1CCCCN1CC(=O)c1c[nH]c2c1cccc2	InChI=1S/C17H22N2O2/c20-10-8-13-5-3-4-9-19(13)12-17(21)15-11-18-16-7-2-1-6-14(15)16/h1-2,6-7,11,13,18,20H,3-5,8-10,12H2	C17H22N2O2	286.369	4	2	56.33	3	5	0	-2.5123	2.47918	2.89	2.456	43.1393	88.0388000000001	2.2801	270.11050155159
Cond-006238	NPD6281	NPD6281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.050886484	[C@@H]1(CC(=O)OCC)NCCN(CC(=O)c2c[nH]c3c2cccc3)C1=O	InChI=1S/C18H21N3O4/c1-2-25-17(23)9-15-18(24)21(8-7-19-15)11-16(22)13-10-20-14-6-4-3-5-12(13)14/h3-6,10,15,19-20H,2,7-9,11H2,1H3/t15-/m0/s1	C18H21N3O4	343.377	7	2	91.5	3	7	0	-1.7787	1.26138	2.67	2.016	57.5281	96.9662	2.5522	310.710782385146
Cond-006239	NPD6282	NPD6282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6824775501	CN(C)CC(=O)c1c(C)n(C)c2c1cc(O)cc2	InChI=1S/C14H18N2O2/c1-9-14(13(18)8-15(2)3)11-7-10(17)5-6-12(11)16(9)4/h5-7,17H,8H2,1-4H3	C14H18N2O2	246.305	4	1	45.47	2	3	0	-0.153100000000002	2.0298	2.56	1.039	41.0912	75.1708	1.966	230.579006374789
Cond-006240	NPD6283	NPD6283	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.71793691	CN1C(=O)N(C)[C@]2(O)c3c(cccc3)C(=O)[C@]12O	InChI=1S/C12H12N2O4/c1-13-10(16)14(2)12(18)9(15)7-5-3-4-6-8(7)11(12,13)17/h3-6,17-18H,1-2H3/t11-,12+/m0/s1	C12H12N2O4	248.235	6	2	81.08	3	0	0	-1.5675	-0.6042	2.12	0.62	36.4124	63.0506	1.693	212.111031823378
Cond-006241	NPD6284	NPD6284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5968224729	C/C=C/Cn1c(N)nc2c1c(O)nc(=O)n2C	InChI=1S/C10H13N5O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,16,17)/b4-3+	C10H13N5O2	235.243	7	3	96.74	2	2	0	-0.559699999999999	1.14805	1.79	0.172	49.2991	69.8992	1.7018	205.285348495823
Cond-006242	NPD6285	NPD6285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1800598665	CCOC(=O)Cn1c(C)cc(=O)c2cc(OC)ccc12	InChI=1S/C15H17NO4/c1-4-20-15(18)9-16-10(2)7-14(17)12-8-11(19-3)5-6-13(12)16/h5-8H,4,9H2,1-3H3	C15H17NO4	275.3	5	0	55.84	2	5	0	0.111200000000001	2.58647	2.56	2.439	51.7077	78.236	2.0815	262.722225492812
Cond-006243	NPD6286	NPD6286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7773428506	CCOC(=O)Cn1c(C)cc(=O)c2cccc(OC)c12	InChI=1S/C15H17NO4/c1-4-20-14(18)9-16-10(2)8-12(17)11-6-5-7-13(19-3)15(11)16/h5-8H,4,9H2,1-3H3	C15H17NO4	275.3	5	0	55.84	2	5	0	0.111200000000001	2.58647	2.56	2.439	51.7077	78.236	2.0815	262.722225492812
Cond-006244	NPD6288	NPD6288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.1292671825	Oc1nc2ccc(Cl)c3c2c(c2c(cccc2)C3=O)c1C(=O)c1ccccc1	InChI=1S/C23H12ClNO3/c24-15-10-11-16-19-17(13-8-4-5-9-14(13)22(27)18(15)19)20(23(28)25-16)21(26)12-6-2-1-3-7-12/h1-11H,(H,25,28)	C23H12ClNO3	385.799	4	1	67.26	5	2	1	-0.2436	5.82877	3.44	6.543	18.8722	114.5265	2.6456	319.286356561618
Cond-006245	NPD6289	NPD6289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.1165225307	CCCC(=O)c1c2c3c(cccc3)C(=O)c3c2c(ccc3)nc1O	InChI=1S/C20H15NO3/c1-2-6-15(22)18-17-11-7-3-4-8-12(11)19(23)13-9-5-10-14(16(13)17)21-20(18)24/h3-5,7-10H,2,6H2,1H3,(H,21,24)	C20H15NO3	317.338	4	1	67.26	4	3	0	-1.1898	4.55658	3.22	4.523	26.6161	96.4613	2.3381	283.353169716785
Cond-006246	NPD629	NPD629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4432814644	Cc1c2C(=O)N(C(=O)c2c2ccccc2n1)c1cccc(c1)C(=O)OCC(=O)c1ccccc1	InChI=1S/C27H18N2O5/c1-16-23-24(20-12-5-6-13-21(20)28-16)26(32)29(25(23)31)19-11-7-10-18(14-19)27(33)34-15-22(30)17-8-3-2-4-9-17/h2-14H,15H2,1H3	C27H18N2O5	450.442	7	0	93.64	5	6	1	-0.8755	4.4767	3.66	6.164	34.3152	128.0825	3.218	396.563523502341
Cond-006247	NPD6290	NPD6290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.13427401	CCCC(=O)c1c2c3c(cccc3)C(=O)c3c2c(ccc3Cl)nc1O	InChI=1S/C20H14ClNO3/c1-2-5-14(23)18-15-10-6-3-4-7-11(10)19(24)16-12(21)8-9-13(17(15)16)22-20(18)25/h3-4,6-9H,2,5H2,1H3,(H,22,25)	C20H14ClNO3	351.783	4	1	67.26	4	3	0	-0.4455	5.20998	3.11	4.619	32.2317	101.4713	2.4605	298.564237487218
Cond-006248	NPD6291	NPD6291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.1137915339	Cc1cc2c(cc1)c(C)n/c(=N\c1nc(=O)c3c(CCC3)[nH]1)/[nH]2	InChI=1S/C17H17N5O/c1-9-6-7-11-10(2)18-16(20-14(11)8-9)22-17-19-13-5-3-4-12(13)15(23)21-17/h6-8H,3-5H2,1-2H3,(H2,18,19,20,21,22,23)	C17H17N5O	307.35	6	2	78.21	4	1	0	-1.5768	2.08207	2.67	2.28	59.9255	95.2234	2.2832	284.944720672329
Cond-006249	NPD6292	NPD6292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.7501137915	COc1ccc(cc1)/N=c/1\[nH]c2c(cccc2)c(O)n1	InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19)	C15H13N3O2	267.283	5	2	66.21	3	2	0	-0.7378	3.61078	2.56	3.589	24.2919	80.3775	1.9691	238.605916405623
Cond-006250	NPD6293	NPD6293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.1725079654	COc1ccc(cc1)/N=c\1/[nH]c(=O)c2c([nH]1)cc(OC)c(OC)c2	InChI=1S/C17H17N3O4/c1-22-11-6-4-10(5-7-11)18-17-19-13-9-15(24-3)14(23-2)8-12(13)16(21)20-17/h4-9H,1-3H3,(H2,18,19,20,21)	C17H17N3O4	327.335	7	2	81.18	3	4	0	-0.748400000000001	3.02157	2.56	2.508	38.0886	94.8034	2.3683	290.778339058479
Cond-006251	NPD6294	NPD6294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.9048702777	COc1ccc(CCN/C(=N/c2nc(C)cc(C)n2)/NC(=O)Nc2ccccc2)cc1OC	InChI=1S/C24H28N6O3/c1-16-14-17(2)27-23(26-16)29-22(30-24(31)28-19-8-6-5-7-9-19)25-13-12-18-10-11-20(32-3)21(15-18)33-4/h5-11,14-15H,12-13H2,1-4H3,(H3,25,26,27,28,29,30,31)	C24H28N6O3	448.518	9	3	109.76	3	11	2	0.456699999999999	4.20691	3.11	5.278	53.9029	132.7821	3.4663	417.240909261086
Cond-006252	NPD6295	NPD6295	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.6554392353	CCCc1cc(=O)[nH]/c(=N\C(=N)Nc2ccccc2)/[nH]1	InChI=1S/C14H17N5O/c1-2-6-11-9-12(20)18-14(17-11)19-13(15)16-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H4,15,16,17,18,19,20)	C14H17N5O	271.318	6	4	89.37	2	5	0	-1.2642	2.55284	2.34	3.317	47.4742	82.7118	2.1207	260.406142897128
Cond-006253	NPD6296	NPD6296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2034592626	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccccc1)ncc2	InChI=1S/C29H28N2O5/c1-33-25-15-20-12-13-30-24(22(20)17-27(25)35-3)14-21-16-26(34-2)28(36-4)18-23(21)31-29(32)11-10-19-8-6-5-7-9-19/h5-13,15-18H,14H2,1-4H3,(H,31,32)/b11-10+	C29H28N2O5	484.543	7	1	78.91	4	10	1	-0.1597	6.43547000000001	3.88	6.593	51.7028	144.0147	3.69440000000001	448.784868856475
Cond-006254	NPD6297	NPD6297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.395994538	COc1cc(OCCn2ncc3c(c2=O)c(OC)c(OC)cc3)ccc1	InChI=1S/C19H20N2O5/c1-23-14-5-4-6-15(11-14)26-10-9-21-19(22)17-13(12-20-21)7-8-16(24-2)18(17)25-3/h4-8,11-12H,9-10H2,1-3H3	C19H20N2O5	356.372	7	0	69.59	3	7	0	-0.955299999999999	3.05028	2.78	3.027	47.9834	101.748	2.609	323.163774802607
Cond-006255	NPD6298	NPD6298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5648611743	CC(C)N/C=C\1/N=C(OC1=O)c1ccccc1	InChI=1S/C13H14N2O2/c1-9(2)14-8-11-13(16)17-12(15-11)10-6-4-3-5-7-10/h3-9,14H,1-2H3/b11-8+	C13H14N2O2	230.262	4	1	50.69	2	3	0	-0.924600000000001	1.98948	2.45	4.137	39.8736	68.3987	1.7821	221.546563048123
Cond-006256	NPD63	NPD63	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.6005914337	CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C24H34O4/c1-4-22(27)28-14-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,2)19(17)10-12-24(18,20)3/h13,17-20H,4-12,14H2,1-3H3/t17?,18?,19?,20?,23-,24-/m0/s1	C24H34O4	386.524	4	0	60.44	4	5	0	0.700499999999996	4.81688000000001	3.66	4.782	107.785	109.43	3.1186	398.849326917447
Cond-006257	NPD630	NPD630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9998039023	CC1(C)O[C@H]2OC([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NCC(=O)Nc1nccs1	InChI=1S/C17H23N3O7S/c1-16(2)24-9-10(25-16)12-14(27-17(3,4)26-12)23-11(9)13(22)19-7-8(21)20-15-18-5-6-28-15/h5-6,9-12,14H,7H2,1-4H3,(H,19,22)(H,18,20,21)/t9-,10+,11?,12-,14-/m1/s1	C17H23N3O7S	413.445	10	2	145.48	4	6	0	-1.5822	1.42828	2.12	0.149	80.224	99.7624	2.7713	344.747419320163
Cond-006258	NPD6300	NPD6300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.7733272645	CCC1CCCCN1CC(=O)N1CCc2c(C1)c1c([nH]2)ccc(OC)c1	InChI=1S/C21H29N3O2/c1-3-15-6-4-5-10-23(15)14-21(25)24-11-9-20-18(13-24)17-12-16(26-2)7-8-19(17)22-20/h7-8,12,15,22H,3-6,9-11,13-14H2,1-2H3	C21H29N3O2	355.474	5	1	48.57	4	5	0	-2.6999	3.14338	3.22	2.555	63.5085	107.435	2.8349	337.934741562425
Cond-006259	NPD6301	NPD6301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3914428767	CCOC(=O)N1CCN(CC(=O)N2CCc3c(C2)c2c([nH]3)ccc(OC)c2)CC1	InChI=1S/C21H28N4O4/c1-3-29-21(27)24-10-8-23(9-11-24)14-20(26)25-7-6-19-17(13-25)16-12-15(28-2)4-5-18(16)22-19/h4-5,12,22H,3,6-11,13-14H2,1-2H3	C21H28N4O4	400.471	8	1	78.11	4	7	0	-1.2453	1.01708	2.89	0.899	75.4854	112.578	3.0091	363.875496470913
Cond-006260	NPD6302	NPD6302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.7005006827	O=c1[nH]cnc2c1[nH]c1c2cc2OCOc2c1	InChI=1S/C11H7N3O3/c15-11-10-9(12-3-13-11)5-1-7-8(17-4-16-7)2-6(5)14-10/h1-3,14H,4H2,(H,12,13,15)	C11H7N3O3	229.192	6	2	75.71	4	0	0	-1.3921	1.18477	2.01	0.669	25.7646	66.3697	1.4416	171.128663303517
Cond-006261	NPD6303	NPD6303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2216659081	COc1cc2c(cc1OC)C(=NCC2)/C=C/c1ccc(cc1)N(C)C	InChI=1S/C21H24N2O2/c1-23(2)17-8-5-15(6-9-17)7-10-19-18-14-21(25-4)20(24-3)13-16(18)11-12-22-19/h5-10,13-14H,11-12H2,1-4H3/b10-7+	C21H24N2O2	336.427	4	0	34.06	3	5	0	0.412699999999999	3.54338	3.33	3.98	54.7468	104.21	2.7147	331.385063952657
Cond-006262	NPD6304	NPD6304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	70.1502048248	COc1ccc(cc1)C(=O)NC(CCSC)c1nc2ccccc2[nH]1	InChI=1S/C19H21N3O2S/c1-24-14-9-7-13(8-10-14)19(23)22-17(11-12-25-2)18-20-15-5-3-4-6-16(15)21-18/h3-10,17H,11-12H2,1-2H3,(H,20,21)(H,22,23)	C19H21N3O2S	355.454	5	2	92.31	3	8	0	-0.740900000000001	3.80618	2.89	4.402	42.5692	107.3177	2.6962	315.398878966691
Cond-006263	NPD6305	NPD6305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7878925808	CC[C@]1(C)Oc2ccccc2C2OC(C)(CCC12)C#CC[N]1(C)CCCCC1	InChI=1S/C25H36NO2/c1-5-25(3)21-14-16-24(2,15-11-19-26(4)17-9-6-10-18-26)28-23(21)20-12-7-8-13-22(20)27-25/h7-8,12-13,21,23H,5-6,9-10,14,16-19H2,1-4H3/t21?,23?,24?,25-/m0/s1	C25H36NO2	382.559	3	0	18.46	4	2	0	NA	1.63993	3.88	NA	NA	79.6754	4.4497	NA
Cond-006264	NPD6306	NPD6306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.0045516614	COc1cc(NC(=O)/C=C/c2cc3c(OCO3)cc2)cc(OC)c1OC	InChI=1S/C19H19NO6/c1-22-16-9-13(10-17(23-2)19(16)24-3)20-18(21)7-5-12-4-6-14-15(8-12)26-11-25-14/h4-10H,11H2,1-3H3,(H,20,21)/b7-5+	C19H19NO6	357.357	7	1	75.25	3	7	0	-0.731799999999999	4.24506	2.78	2.467	47.1045	100.8117	2.5679	320.957241295002
Cond-006265	NPD6307	NPD6307	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0741920801	CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)C2(C3N1N=Cc1c3cccc1)C(=O)c1c(cccc1)C2=O	InChI=1S/C29H24N2O5/c1-3-36-28(34)24-23(17-12-14-19(35-2)15-13-17)29(26(32)21-10-6-7-11-22(21)27(29)33)25-20-9-5-4-8-18(20)16-30-31(24)25/h4-16,23-25H,3H2,1-2H3/t23-,24+,25?/m1/s1	C29H24N2O5	480.511	7	0	85.27	6	5	1	-1.047	4.52799	3.88	6.529	57.8599	136.443	3.47720000000001	434.971951454875
Cond-006266	NPD6308	NPD6308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4874829313	CC(=O)N1C(OC(=O)c2ccccc12)c1ccccc1	InChI=1S/C16H13NO3/c1-11(18)17-14-10-6-5-9-13(14)16(19)20-15(17)12-7-3-2-4-8-12/h2-10,15H,1H3	C16H13NO3	267.279	4	0	46.61	3	2	0	-0.5838	3.06308	2.78	4.825	22.3351	76.868	1.9691	242.698607315717
Cond-006267	NPD6309	NPD6309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.3058716431	COc1ccc(cc1)C(CC(=O)O)c1ccc2OCOc2c1	InChI=1S/C17H16O5/c1-20-13-5-2-11(3-6-13)14(9-17(18)19)12-4-7-15-16(8-12)22-10-21-15/h2-8,14H,9-10H2,1H3,(H,18,19)	C17H16O5	300.306	5	1	64.99	3	5	0	-0.6904	3.74848	2.78	3.338	30.3361	84.0318000000001	2.1706	269.21474383534
Cond-006268	NPD631	NPD631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6441880261	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cnccc1	InChI=1S/C31H40N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,13-14,16,22-24,28,35,39H,5-12,15,17-18H2,1-2H3,(H,33,37)/t22?,23?,24?,28?,29-,30-,31-/m0/s1	C31H40N2O7	552.658	9	3	142.89	5	10	0	-1.306	2.64468000000001	3.88	0.903	121.3459	146.5503	4.2	534.48312631253
Cond-006269	NPD6310	NPD6310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.1083295403	OC(=O)CC(Cc1ccccc1)c1ccc2OCOc2c1	InChI=1S/C17H16O4/c18-17(19)10-14(8-12-4-2-1-3-5-12)13-6-7-15-16(9-13)21-11-20-15/h1-7,9,14H,8,10-11H2,(H,18,19)	C17H16O4	284.307	4	1	55.76	3	5	1	-0.4926	3.95098	2.89	5.406	26.798	83.0088000000001	2.1119	260.424517134778
Cond-006270	NPD6312	NPD6312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4169321802	CC(C)C1CC(CCNC(=O)CO/N=C/2\CC[C@]3(C)C4CC[C@]5(C)C(O)CCC5C4CCC3=C2)(CCO1)c1ccccc1	InChI=1S/C37H54N2O4/c1-25(2)32-23-37(19-21-42-32,26-8-6-5-7-9-26)18-20-38-34(41)24-43-39-28-14-16-35(3)27(22-28)10-11-29-30-12-13-33(40)36(30,4)17-15-31(29)35/h5-9,22,25,29-33,40H,10-21,23-24H2,1-4H3,(H,38,41)/b39-28+/t29?,30?,31?,32?,33?,35-,36-,37?/m0/s1	C37H54N2O4	590.836	6	2	80.15	6	9	1	0.0243999999999973	7.27177000000001	4.87	9.179	141.9165	175.7865	4.84670000000001	604.804812666845
Cond-006271	NPD6313	NPD6313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.1729631315	C[C@]12CCC3C(CCC4=C/C(=N/OCC(=O)NCCC5(CCOC(C)(C)C5)c5ccccc5)/CC[C@]34C)C1CCC2O	InChI=1S/C36H52N2O4/c1-33(2)24-36(19-21-41-33,25-8-6-5-7-9-25)18-20-37-32(40)23-42-38-27-14-16-34(3)26(22-27)10-11-28-29-12-13-31(39)35(29,4)17-15-30(28)34/h5-9,22,28-31,39H,10-21,23-24H2,1-4H3,(H,37,40)/b38-27+/t28?,29?,30?,31?,34-,35-,36?/m0/s1	C36H52N2O4	576.809	6	2	80.15	6	8	1	0.354800000000001	7.02577000000001	4.76	8.941	137.908	171.2395	4.70580000000001	587.508828040979
Cond-006272	NPD6314	NPD6314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3550295858	COc1c(Cn2c(nc3c2cccc3)C(C)O)cccc1	InChI=1S/C17H18N2O2/c1-12(20)17-18-14-8-4-5-9-15(14)19(17)11-13-7-3-6-10-16(13)21-2/h3-10,12,20H,11H2,1-2H3	C17H18N2O2	282.337	4	1	47.28	3	4	0	-0.4864	3.48289	2.89	3.834	26.7872	83.0118000000001	2.1941	253.93758414999
Cond-006273	NPD6315	NPD6315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4938552572	COc1c(OC)cc(Cn2c(CO)nc3c2cccc3)cc1	InChI=1S/C17H18N2O3/c1-21-15-8-7-12(9-16(15)22-2)10-19-14-6-4-3-5-13(14)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3	C17H18N2O3	298.336	5	1	56.51	3	5	0	-0.5275	2.93209	2.78	2.719	29.5186	84.8748000000001	2.2528	262.727810850551
Cond-006274	NPD6316	NPD6316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.305416477	Cc1ccccc1NC(=O)[C@]12CC3CCC1(C)[C@@]3(C)CO2	InChI=1S/C18H23NO2/c1-12-6-4-5-7-14(12)19-15(20)18-10-13-8-9-17(18,3)16(13,2)11-21-18/h4-7,13H,8-11H2,1-3H3,(H,19,20)/t13?,16-,17?,18+/m0/s1	C18H23NO2	285.381	3	1	38.33	4	3	0	0.1985	4.13711	3.11	3.778	54.8085	84.7017	2.2556	277.58972596929
Cond-006275	NPD6317	NPD6317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.8129267183	CC(C)NC(=O)C12CCC(C)(C(=O)C1)C2(C)C	InChI=1S/C14H23NO2/c1-9(2)15-11(17)14-7-6-13(5,10(16)8-14)12(14,3)4/h9H,6-8H2,1-5H3,(H,15,17)	C14H23NO2	237.338	3	1	46.17	2	3	0	0.1298	2.53039	2.67	1.545	66.6306	69.7007	1.9952	249.291622269022
Cond-006276	NPD6318	NPD6318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	69.4401456532	CC1(C)C2CCC1(C)C(C2)NC(=O)CCC(=O)O	InChI=1S/C14H23NO3/c1-13(2)9-6-7-14(13,3)10(8-9)15-11(16)4-5-12(17)18/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)	C14H23NO3	253.337	4	2	66.4	2	5	0	0.598499999999999	2.41609	2.56	2.313	65.4762	71.2725000000001	2.0539	258.081848969584
Cond-006277	NPD6319	NPD6319	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.5812471552	CC12CCC(CC1=O)(C(=O)Nc1ccc(Cl)cc1)C2(C)C	InChI=1S/C17H20ClNO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-6-4-11(18)5-7-12/h4-7H,8-10H2,1-3H3,(H,19,21)	C17H20ClNO2	305.799	3	1	46.17	3	3	0	0.8219	4.89798	2.89	3.09	57.0509	86.7467	2.3027	285.224809113856
Cond-006278	NPD632	NPD632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.9119907206	COc1cc(COc2ccc3c(cc(=O)oc3c2C)c2ccccc2)ccc1	InChI=1S/C24H20O4/c1-16-22(27-15-17-7-6-10-19(13-17)26-2)12-11-20-21(14-23(25)28-24(16)20)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3	C24H20O4	372.413	4	0	44.76	4	5	1	0.5221	5.42089	3.66	7.224	34.4643	112.377	2.8176	347.694116011846
Cond-006279	NPD6320	NPD6320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.4105598543	CC12CCC(CC1=O)(C(=O)Nc1ccccc1Br)C2(C)C	InChI=1S/C17H20BrNO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-7-5-4-6-11(12)18/h4-7H,8-10H2,1-3H3,(H,19,21)	C17H20BrNO2	350.25	3	1	46.17	3	3	0	0.9664	5.00708	2.89	3.428	60.0344	89.4367	2.3553	289.29736032099
Cond-006280	NPD6321	NPD6321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.6950386891	CC12CCC(CC1=O)(C(=O)NNc1ccccc1)C2(C)C	InChI=1S/C17H22N2O2/c1-15(2)16(3)9-10-17(15,11-13(16)20)14(21)19-18-12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3,(H,19,21)	C17H22N2O2	286.369	4	2	58.2	3	4	0	-0.3428	3.74918	2.89	3.581	54.7353	84.8724	2.2801	281.01050155159
Cond-006281	NPD6322	NPD6322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.8101957214	CC12CCC(CC1=O)(C(=O)Nc1c3ccccc3ccc1)C2(C)C	InChI=1S/C21H23NO2/c1-19(2)20(3)11-12-21(19,13-17(20)23)18(24)22-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,11-13H2,1-3H3,(H,22,24)	C21H23NO2	321.413	3	1	46.17	4	3	0	0.0775999999999998	5.39778000000001	3.44	4.87	51.4353	99.2427000000001	2.5493	310.668303744491
Cond-006282	NPD6324	NPD6324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5088757396	CC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1	InChI=1S/C19H21NO4/c1-11(21)12-5-7-13(8-6-12)20-16(24)19-10-9-18(4,17(19,2)3)14(22)15(19)23/h5-8H,9-10H2,1-4H3,(H,20,24)	C19H21NO4	327.374	5	1	80.31	3	4	0	-0.474900000000001	2.76059	3	2.408	63.0025	91.6667	2.4935	316.913246594679
Cond-006283	NPD6325	NPD6325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	84.7701411015	CC12CCC([C@H](Br)C1=O)(C(=O)NNc1ccccc1)C2(C)C	InChI=1S/C17H21BrN2O2/c1-15(2)16(3)9-10-17(15,12(18)13(16)21)14(22)20-19-11-7-5-4-6-8-11/h4-8,12,19H,9-10H2,1-3H3,(H,20,22)/t12-,16?,17?/m1/s1	C17H21BrN2O2	365.265	4	2	58.2	3	4	0	0.3541	4.12258	2.78	4.196	62.108	92.9704	2.4551	300.294120529157
Cond-006284	NPD6326	NPD6326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3941738735	CC1CCN(CC1)C(=O)C12CCC(C)(C(=O)[C@H]1Br)C2(C)C	InChI=1S/C17H26BrNO2/c1-11-5-9-19(10-6-11)14(21)17-8-7-16(4,15(17,2)3)13(20)12(17)18/h11-12H,5-10H2,1-4H3/t12-,16?,17?/m1/s1	C17H26BrNO2	356.298	3	0	37.38	3	2	0	0.355099999999999	3.63769	2.89	2.791	82.5909	89.498	2.4843	308.10673642339
Cond-006285	NPD6327	NPD6327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.7287209832	C[C@@]12COC3(CC1CC[C@@]23C)C(=O)NCCc1ccccc1	InChI=1S/C19H25NO2/c1-17-13-22-19(12-15(17)8-10-18(17,19)2)16(21)20-11-9-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,21)/t15?,17-,18+,19?/m1/s1	C19H25NO2	299.407	3	1	38.33	4	5	0	-0.176299999999998	3.17449	3.22	4.811	58.4704	88.6367	2.3965	294.885710595157
Cond-006286	NPD6328	NPD6328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3268092854	C[C@]12CO[C@@]3(CC1CC[C@@]23C)C(=O)Nc1cccnc1	InChI=1S/C16H20N2O2/c1-14-10-20-16(8-11(14)5-6-15(14,16)2)13(19)18-12-4-3-7-17-9-12/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,18,19)/t11?,14-,15-,16-/m0/s1	C16H20N2O2	272.342	4	1	51.22	4	3	0	-0.4435	3.44938	2.78	2.059	49.3064	78.5907	2.0736	253.994516925723
Cond-006287	NPD6329	NPD6329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1069640419	Cc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=C)cc1	InChI=1S/C18H23NO/c1-12-5-7-15(8-6-12)19-16(20)18-10-9-14(11-18)17(3,4)13(18)2/h5-8,14H,2,9-11H2,1,3-4H3,(H,19,20)	C18H23NO	269.381	2	1	29.1	3	3	1	1.3966	4.79579	3.22	5.415	54.9905	84.6227000000001	2.2625	278.519499268729
Cond-006288	NPD633	NPD633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.3117251646	COC(=O)C1=C(C)N(CC(C)C)C(=O)/C/1=C\c1ccc(cc1)C(=O)OC	InChI=1S/C20H23NO5/c1-12(2)11-21-13(3)17(20(24)26-5)16(18(21)22)10-14-6-8-15(9-7-14)19(23)25-4/h6-10,12H,11H2,1-5H3/b16-10-	C20H23NO5	357.4	6	0	72.91	2	7	0	0.509199999999999	2.51367	3	3.975	73.6555	98.715	2.7587	352.719457921107
Cond-006289	NPD6330	NPD6330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8780154756	CC(=O)c1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=C)cc1	InChI=1S/C19H23NO2/c1-12(21)14-5-7-16(8-6-14)20-17(22)19-10-9-15(11-19)18(3,4)13(19)2/h5-8,15H,2,9-11H2,1,3-4H3,(H,20,22)	C19H23NO2	297.391	3	1	46.17	3	4	0	0.500699999999999	4.10478000000001	3.22	4.383	60.2588	90.5227	2.4191	301.969251894357
Cond-006290	NPD6331	NPD6331	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4838416022	CC1(CBr)C2CCC1(CBr)C(=O)C2	InChI=1S/C10H14Br2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7H,2-6H2,1H3	C10H14Br2O	310.026	1	0	17.07	2	2	0	1.4861	3.38559	2.23	3.065	59.3809	63.719	1.6661	201.524393512761
Cond-006291	NPD6332	NPD6332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0550751024	CC12CCC(CC1=O)(C(=O)NC1CCCCC1)C2(C)C	InChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)	C17H27NO2	277.402	3	1	46.17	3	3	0	-1.4128	3.45469	3	2.49	69.3912	81.4377	2.3093	288.823117445823
Cond-006292	NPD6333	NPD6333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3145197997	CN(C(=O)C12CCC(C)(C(=O)C1)C2(C)C)c1ccccc1	InChI=1S/C18H23NO2/c1-16(2)17(3)10-11-18(16,12-14(17)20)15(21)19(4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3	C18H23NO2	285.381	3	0	37.38	3	3	0	0.179899999999999	4.19588	3.11	3.347	57.132	86.6980000000001	2.3212	287.30972596929
Cond-006293	NPD6334	NPD6334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.3777878926	CC12CCC(CC1=O)(C(=O)Nc1cccc3c1nccc3)C2(C)C	InChI=1S/C20H22N2O2/c1-18(2)19(3)9-10-20(18,12-15(19)23)17(24)22-14-8-4-6-13-7-5-11-21-16(13)14/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)	C20H22N2O2	322.401	4	1	59.06	4	3	0	0.0775999999999998	4.79278	3.22	3.015	51.4353	97.0377	2.5082	304.369079326791
Cond-006294	NPD6336	NPD6336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2307692308	COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2CCNC(=O)C)c(OC)c1	InChI=1S/C23H27NO6/c1-15(25)24-11-10-17-12-22(29-4)23(30-5)14-19(17)20(26)9-7-16-6-8-18(27-2)13-21(16)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b9-7+	C23H27NO6	413.464	7	1	83.09	2	11	1	-0.4676	3.08138	3.22	2.784	66.8826	116.8037	3.1971	399.861179798469
Cond-006295	NPD6337	NPD6337	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0978607192	COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2CCNC(=O)C)cc1OC	InChI=1S/C23H27NO6/c1-15(25)24-11-10-17-13-22(29-4)23(30-5)14-18(17)19(26)8-6-16-7-9-20(27-2)21(12-16)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b8-6+	C23H27NO6	413.464	7	1	83.09	2	11	1	-0.4676	3.08138	3.22	2.784	66.8826	116.8037	3.1971	399.861179798469
Cond-006296	NPD6338	NPD6338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.593991807	COc1c2OCOc2c(Br)c2c1C(CC(=O)c1cccs1)N(C)CC2	InChI=1S/C18H18BrNO4S/c1-20-6-5-10-14(11(20)8-12(21)13-4-3-7-25-13)16(22-2)18-17(15(10)19)23-9-24-18/h3-4,7,11H,5-6,8-9H2,1-2H3	C18H18BrNO4S	424.309	5	0	76.24	4	4	0	1.2282	4.73348	2.67	2.482	62.2323	105.79	2.6255	316.789905003979
Cond-006297	NPD6339	NPD6339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.7537551206	COc1cc(ccc1)[n+]1c(C)c2c([O-])cccc(OC)c2c1C	InChI=1S/C19H19NO3/c1-12-18-16(21)9-6-10-17(23-4)19(18)13(2)20(12)14-7-5-8-15(11-14)22-3/h5-11H,1-4H3	C19H19NO3	309.359	4	0	45.62	3	3	0	-1.4626	5.36833	3.11	4.034	26.0966	94.831	2.3918	283.686561193318
Cond-006298	NPD634	NPD634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2720156556	CC12CC(CC(C)(C)C1)N(CC(=O)N1CCc3c(C1)c1c([nH]3)cccc1)C2	InChI=1S/C23H31N3O/c1-22(2)10-16-11-23(3,14-22)15-26(16)13-21(27)25-9-8-20-18(12-25)17-6-4-5-7-19(17)24-20/h4-7,16,24H,8-15H2,1-3H3	C23H31N3O	365.512	4	1	39.34	5	3	0	0.220000000000002	3.77088000000001	3.55	4.318	74.7267	112.48	2.9494	351.380025412797
Cond-006299	NPD6340	NPD6340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.1788802913	COc1ccc(cc1)[n+]1c(C)c2c([O-])cccc(OC)c2c1C	InChI=1S/C19H19NO3/c1-12-18-16(21)6-5-7-17(23-4)19(18)13(2)20(12)14-8-10-15(22-3)11-9-14/h5-11H,1-4H3	C19H19NO3	309.359	4	0	45.62	3	3	0	-1.4626	5.36833	3.11	4.034	26.0966	94.831	2.3918	283.686561193318
Cond-006300	NPD6341	NPD6341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.9995448339	CCOc1ccc(cc1)[n+]1c(C)c2c([O-])cccc(OC)c2c1C	InChI=1S/C20H21NO3/c1-5-24-16-11-9-15(10-12-16)21-13(2)19-17(22)7-6-8-18(23-4)20(19)14(21)3/h6-12H,5H2,1-4H3	C20H21NO3	323.386	4	0	45.62	3	4	0	-1.2122	5.75843	3.22	4.457	30.3904	99.448	2.5327	300.982545819185
Cond-006301	NPD6342	NPD6342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.8142922167	COc1cccc([O-])c2c1c(C)[n+](c2C)c1cccc(c1)N(=O)=O	InChI=1S/C18H16N2O4/c1-11-17-15(21)8-5-9-16(24-3)18(17)12(2)19(11)13-6-4-7-14(10-13)20(22)23/h4-10H,1-3H3	C18H16N2O4	324.331	6	0	79.53	3	3	0	-0.7507	4.41853	2.78	4.365	22.6708	94.673	2.3664	283.541104775379
Cond-006302	NPD6343	NPD6343	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.9453800637	COc1c(OC)cc(CCNC2=C(NC(=O)C)C(=O)c3c(cccc3)C2=O)cc1	InChI=1S/C22H22N2O5/c1-13(25)24-20-19(21(26)15-6-4-5-7-16(15)22(20)27)23-11-10-14-8-9-17(28-2)18(12-14)29-3/h4-9,12,23H,10-11H2,1-3H3,(H,24,25)	C22H22N2O5	394.42	7	2	93.73	3	8	0	-1.8351	2.42288	3.11	4.113	59.6275	110.1714	2.9457	369.778811278608
Cond-006303	NPD6344	NPD6344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.1415566682	C=CCOC(=O)c1c2[nH]c(=O)c3ccccc3n2c2nc3c(cccc3)nc12	InChI=1S/C21H14N4O3/c1-2-11-28-21(27)16-17-19(23-14-9-5-4-8-13(14)22-17)25-15-10-6-3-7-12(15)20(26)24-18(16)25/h2-10H,1,11H2,(H,24,26)	C21H14N4O3	370.361	7	1	85.59	5	4	0	0.00640000000000041	4.81145	3	4.581	31.4906	110.3222	2.5838	305.110058864752
Cond-006304	NPD6345	NPD6345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.137460173	CCOc1ccc(cc1)/N=c/1\cc(oc2ccc(O)cc12)c1ccc2OCOc2c1	InChI=1S/C24H19NO5/c1-2-27-18-7-4-16(5-8-18)25-20-13-23(30-21-10-6-17(26)12-19(20)21)15-3-9-22-24(11-15)29-14-28-22/h3-13,26H,2,14H2,1H3/b25-20+	C24H19NO5	401.411	6	1	69.51	5	4	1	-0.9098	6.16105	3.44	5.22	39.4397	119.379	2.8675	355.124644219774
Cond-006305	NPD6346	NPD6346	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.7018661812	COc1cc2c(cc1OC)c(ncc2)/C(=C\C(=O)O)/c1cc(OC)c(OC)cc1	InChI=1S/C22H21NO6/c1-26-17-6-5-13(9-18(17)27-2)16(12-21(24)25)22-15-11-20(29-4)19(28-3)10-14(15)7-8-23-22/h5-12H,1-4H3,(H,24,25)/b16-12-	C22H21NO6	395.405	7	1	87.11	3	7	0	-0.281500000000001	3.83668	3.11	2.85	45.5059	111.2888	2.9046	356.672277771002
Cond-006306	NPD6348	NPD6348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.0591715976	COc1cccc([O-])c2c1c(C)[n+](c2C)c1cc(C)cc(C)c1	InChI=1S/C20H21NO2/c1-12-9-13(2)11-16(10-12)21-14(3)19-17(22)7-6-8-18(23-5)20(19)15(21)4/h6-11H,1-5H3	C20H21NO2	307.386	3	0	36.39	3	2	1	-0.126799999999999	5.41577	3.33	5.335	29.785	95.559	2.474	292.192319118624
Cond-006307	NPD6349	NPD6349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7924442421	COc1c(cccc1)/[NH+]=c/1\cccccc1[O-]	InChI=1S/C14H13NO2/c1-17-14-10-6-5-8-12(14)15-11-7-3-2-4-9-13(11)16/h2-10H,1H3,(H,15,16)	C14H13NO2	227.259	3	1	46.26	2	2	0	-1.6804	2.02836	2.67	3.135	41.4273	67.4197	1.7802	225.209328765023
Cond-006308	NPD635	NPD635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.1578947368	[C@@H]12C3CC4[C@@]5(C)CCC[C@](C)(C5CCC4(C=C3C(C)C)[C@@H]1C(=O)N(C2=O)c1ccc(O)cc1)C(=O)O	InChI=1S/C30H37NO5/c1-16(2)20-15-30-13-10-21-28(3,11-5-12-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)31(25(23)33)17-6-8-18(32)9-7-17/h6-9,15-16,19,21-24,32H,5,10-14H2,1-4H3,(H,35,36)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1	C30H37NO5	491.618	6	2	94.91	4	3	1	-0.807000000000002	6.09457000000001	4.1	5.865	109.5994	138.3526	3.7763	478.889928077375
Cond-006309	NPD6350	NPD6350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4255803368	O=N(=O)c1ccc(cc1)C(=O)NC(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl	InChI=1S/C21H20Cl3N5O4S/c22-21(23,24)19(25-18(31)13-4-6-15(7-5-13)29(32)33)26-20(34)27-9-12-8-14(11-27)16-2-1-3-17(30)28(16)10-12/h1-7,12,14,19H,8-11H2,(H,25,31)(H,26,34)/t12-,14+,19?/m0/s1	C21H20Cl3N5O4S	544.839	9	2	139.91	4	8	0	1.3494	3.07467	2.34	4.243	105.3204	137.0569	3.5106	442.00510794558
Cond-006310	NPD6351	NPD6351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9613108785	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)c1cccs1)C(Cl)(Cl)Cl	InChI=1S/C17H23Cl3N2O2S/c18-17(19,20)16(21-15(23)14-7-4-10-25-14)24-11-12-5-3-9-22-8-2-1-6-13(12)22/h4,7,10,12-13,16H,1-3,5-6,8-9,11H2,(H,21,23)/t12-,13+,16?/m0/s1	C17H23Cl3N2O2S	425.801	4	1	69.81	3	7	0	0.417200000000001	4.42369	2.45	4.458	80.3041	106.7727	2.8968	350.42564632209
Cond-006311	NPD6352	NPD6352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.9039599454	COc1ccc(cc1)c1c2c(cn1C)n(C)c(=O)n(C)c2=O	InChI=1S/C16H17N3O3/c1-17-9-12-13(15(20)19(3)16(21)18(12)2)14(17)10-5-7-11(22-4)8-6-10/h5-9H,1-4H3	C16H17N3O3	299.324	6	0	54.78	3	2	0	-0.482900000000001	2.76448	2.56	1.323	42.188	88.2400000000001	2.2117	267.328586432851
Cond-006312	NPD6353	NPD6353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4747382795	CCOc1c(OCC)cc(cc1)c1cc2c(oc1=O)ccc(Br)c2	InChI=1S/C19H17BrO4/c1-3-22-17-7-5-12(11-18(17)23-4-2)15-10-13-9-14(20)6-8-16(13)24-19(15)21/h5-11H,3-4H2,1-2H3	C19H17BrO4	389.24	4	0	44.76	3	5	1	1.4671	5.14917	3	5.181	47.2085	99.878	2.5257	311.663646663279
Cond-006313	NPD6354	NPD6354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.0395994538	Cc1n/c(=N/C(=N)N)/[nH]c2c1cc1OCOc1c2	InChI=1S/C11H11N5O2/c1-5-6-2-8-9(18-4-17-8)3-7(6)15-11(14-5)16-10(12)13/h2-3H,4H2,1H3,(H4,12,13,14,15,16)	C11H11N5O2	245.237	7	4	105.08	3	1	0	-1.6072	1.19286	1.9	-0.0960000000000001	36.499	72.9248	1.6911	207.588415720089
Cond-006314	NPD6355	NPD6355	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.3486572599	COc1c(/C=C/C(=O)OC2CCCN(C)C2)cccc1	InChI=1S/C16H21NO3/c1-17-11-5-7-14(12-17)20-16(18)10-9-13-6-3-4-8-15(13)19-2/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3/b10-9+	C16H21NO3	275.343	4	0	38.77	2	5	0	-0.2695	2.39698	2.78	3.122	51.0912	80.8200000000001	2.2067	273.864442118917
Cond-006315	NPD6356	NPD6356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9485662267	COC(=O)c1ccc(cc1)C1C(C(=O)OC(C)C)C(=O)CC(C)(O)C1C(=O)OC(C)C	InChI=1S/C23H30O8/c1-12(2)30-21(26)18-16(24)11-23(5,28)19(22(27)31-13(3)4)17(18)14-7-9-15(10-8-14)20(25)29-6/h7-10,12-13,17-19,28H,11H2,1-6H3	C23H30O8	434.479	8	1	116.2	2	9	0	-1.0216	2.38459	3.11	3.487	86.4806	113.2278	3.3007	422.617790393024
Cond-006316	NPD6357	NPD6357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.4342284934	O=C(NC(=S)N1CCCCC1c1cccnc1)c1cccs1	InChI=1S/C16H17N3OS2/c20-15(14-7-4-10-22-14)18-16(21)19-9-2-1-6-13(19)12-5-3-8-17-11-12/h3-5,7-8,10-11,13H,1-2,6,9H2,(H,18,20,21)	C16H17N3OS2	331.456	4	1	105.56	3	5	0	-0.164300000000001	3.01229	2.56	3.632	47.5134	94.1617	2.4213	286.766181146929
Cond-006317	NPD6358	NPD6358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.9435593992	COc1c(OC)cc2c(CC3(CCCC3)N=C2Nc2ccc(cc2)C(=O)C)c1	InChI=1S/C23H26N2O3/c1-15(26)16-6-8-18(9-7-16)24-22-19-13-21(28-3)20(27-2)12-17(19)14-23(25-22)10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,25)	C23H26N2O3	378.464	5	1	59.92	4	5	0	-0.862600000000002	4.60239000000001	3.44	4.088	55.885	114.0767	2.9466	362.410801204152
Cond-006318	NPD636	NPD636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	22.9523551305	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1C/C(=C/c1cccs1)/C2=O	InChI=1S/C24H30O2S/c1-23-9-7-17(25)14-16(23)5-6-19-20(23)8-10-24(2)21(19)13-15(22(24)26)12-18-4-3-11-27-18/h3-5,11-12,17,19-21,25H,6-10,13-14H2,1-2H3/b15-12-/t17?,19?,20?,21?,23-,24-/m0/s1	C24H30O2S	382.559	2	1	65.54	5	1	0	1.0686	5.61157000000001	3.77	4.896	95.0724	112.3068	3.0131	373.884980172325
Cond-006319	NPD6360	NPD6360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	38.479745107	CCOC(=O)c1c(N)c2c([nH]1)cc1OCOc1c2	InChI=1S/C12H12N2O4/c1-2-16-12(15)11-10(13)6-3-8-9(18-5-17-8)4-7(6)14-11/h3-4,14H,2,5,13H2,1H3	C12H12N2O4	248.235	6	3	86.57	3	3	0	-1.2114	2.04797	2.12	1.046	31.2764	71.3464	1.693	201.211031823378
Cond-006320	NPD6361	NPD6361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.745106964	COc1c2C(C#CCOc3c(cc4oc5c(CCCC5)c4c3)C(C)(C)C)N(C)CCc2cc2c1OCO2	InChI=1S/C31H35NO5/c1-31(2,3)22-17-25-21(20-9-6-7-11-24(20)37-25)16-26(22)34-14-8-10-23-28-19(12-13-32(23)4)15-27-29(30(28)33-5)36-18-35-27/h15-17,23H,6-7,9,11-14,18H2,1-5H3	C31H35NO5	501.613	6	0	53.3	6	4	1	1.5698	7.17946000000001	4.21	5.973	86.7255	150.208	3.8312	469.112995301642
Cond-006321	NPD6362	NPD6362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.5835229859	[O-]C(=O)C(Cc1c[nH]c[nH+]1)NC1=C(Cl)C(=O)c2c(cccc2)C1=O	InChI=1S/C16H12ClN3O4/c17-12-13(15(22)10-4-2-1-3-9(10)14(12)21)20-11(16(23)24)5-8-6-18-7-19-8/h1-4,6-7,11,20H,5H2,(H,18,19)(H,23,24)	C16H12ClN3O4	345.737	7	3	116.23	3	5	0	-3.2417	-1.19472	2.34	1.942	44.3706	84.8027	2.3068	286.056963502245
Cond-006322	NPD6363	NPD6363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	72.1984524351	COc1cc(CCNC(=O)C)c(cc1OC)C(=O)/C=C/c1cc(ccc1)N(C)C	InChI=1S/C23H28N2O4/c1-16(26)24-12-11-18-14-22(28-4)23(29-5)15-20(18)21(27)10-9-17-7-6-8-19(13-17)25(2)3/h6-10,13-15H,11-12H2,1-5H3,(H,24,26)/b10-9+	C23H28N2O4	396.479	6	1	67.87	2	10	0	-0.1462	3.13018	3.33	3.482	66.5424	118.0267	3.1795	393.277486605513
Cond-006323	NPD6364	NPD6364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.7696859354	CN1C(/C(=C(/C)\N)/C(=O)C1=O)c1ccccc1	InChI=1S/C13H14N2O2/c1-8(14)10-11(9-6-4-3-5-7-9)15(2)13(17)12(10)16/h3-7,11H,14H2,1-2H3/b10-8+	C13H14N2O2	230.262	4	2	63.4	2	1	0	-1.3317	0.82048	2.45	2.329	40.2629	66.0424	1.7821	221.546563048123
Cond-006324	NPD6365	NPD6365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.7806099226	CC(=O)OCC1OC(SCCOc2ccc(Br)cc2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C	InChI=1S/C22H27BrO10S/c1-12(24)29-11-18-19(30-13(2)25)20(31-14(3)26)21(32-15(4)27)22(33-18)34-10-9-28-17-7-5-16(23)6-8-17/h5-8,18-22H,9-11H2,1-4H3	C22H27BrO10S	563.413	10	0	148.96	2	14	1	0.8118	3.37888	2.56	3.308	97.4009	129.355	3.6157	460.694902203447
Cond-006325	NPD6366	NPD6366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.2398725535	[C@H]12CCCCN1CCC[C@H]2COC(NC(=O)Cc1cccc2ccccc12)C(Cl)(Cl)Cl	InChI=1S/C24H29Cl3N2O2/c25-24(26,27)23(31-16-19-10-6-14-29-13-4-3-12-21(19)29)28-22(30)15-18-9-5-8-17-7-1-2-11-20(17)18/h1-2,5,7-9,11,19,21,23H,3-4,6,10,12-16H2,(H,28,30)/t19-,21+,23?/m0/s1	C24H29Cl3N2O2	483.858	4	1	41.57	4	8	1	-0.1386	5.70979	3.33	8.058	77.0598	131.0037	3.482	421.822679842358
Cond-006326	NPD6367	NPD6367	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5252617205	[C@@H]12CC=C3CC(CC[C@]3(C)[C@H]1CC[C@]1(C)C(CCC21)C(C)CCCC(C)C)OC(=O)COc1ccc2c(=O)c(coc2c1)c1c(OC)cccc1	InChI=1S/C45H58O6/c1-28(2)10-9-11-29(3)37-18-19-38-34-16-14-30-24-32(20-22-44(30,4)39(34)21-23-45(37,38)5)51-42(46)27-49-31-15-17-35-41(25-31)50-26-36(43(35)47)33-12-7-8-13-40(33)48-6/h7-8,12-15,17,25-26,28-29,32,34,37-39H,9-11,16,18-24,27H2,1-6H3/t29?,32?,34-,37?,38?,39-,44-,45+/m0/s1	C45H58O6	694.938	6	0	71.06	7	12	2	0.849600000000001	11.62235	5.75	14.444	147.7039	206.825499999999	5.61110000000001	704.957329154565
Cond-006327	NPD6368	NPD6368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.9940828402	COC(=O)Cc1cc(=O)nc(N/C(=N/c2ccccc2)/N)[nH]1	InChI=1S/C14H15N5O3/c1-22-12(21)8-10-7-11(20)18-14(17-10)19-13(15)16-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,15,16,17,18,19,20)	C14H15N5O3	301.301	8	4	118.17	2	6	0	-1.2371	0.11066	2.12	2.889	50.7497	85.7568	2.1951	275.350137597451
Cond-006328	NPD6369	NPD6369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.1829767865	COCc1cc(=O)nc(N/C(=N/c2ccccc2)/N)[nH]1	InChI=1S/C13H15N5O2/c1-20-8-10-7-11(19)17-13(16-10)18-12(14)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H4,14,15,16,17,18,19)	C13H15N5O2	273.291	7	4	101.1	2	5	0	-1.3233	0.19396	2.12	2.42	46.2401	80.9998	2.0385	251.900384971823
Cond-006329	NPD637	NPD637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9037982796	Cc1cc2c(o1)c1c(CCC2(C)c2ccccc2)oc2c1cc(I)cc2I	InChI=1S/C23H18I2O2/c1-13-10-17-22(26-13)20-16-11-15(24)12-18(25)21(16)27-19(20)8-9-23(17,2)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3	C23H18I2O2	580.197	2	0	26.28	5	1	1	3.5617	6.8501	3.55	9.419	54.3029	128.484	3.0531	345.387740026189
Cond-006330	NPD6370	NPD6370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2380518889	[C@H]12Sc3ccccc3N1[C@H]([C@H](c1ccc(OC)cc1)C12C(=O)c2c(cccc2)C1=O)C(=O)c1ccccc1	InChI=1S/C32H23NO4S/c1-37-21-17-15-19(16-18-21)26-27(28(34)20-9-3-2-4-10-20)33-24-13-7-8-14-25(24)38-31(33)32(26)29(35)22-11-5-6-12-23(22)30(32)36/h2-18,26-27,31H,1H3/t26-,27+,31+/m0/s1	C32H23NO4S	517.594	5	0	88.98	7	4	1	-0.765	6.54338	4.32	7.886	46.9458	149.843	3.71030000000001	457.052566378947
Cond-006331	NPD6372	NPD6372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.4337733273	[C@@H]12Cc3c(CN1C(=O)N(C1CCS(=O)(=O)C1)C2=O)cccc3	InChI=1S/C15H16N2O4S/c18-14-13-7-10-3-1-2-4-11(10)8-16(13)15(19)17(14)12-5-6-22(20,21)9-12/h1-4,12-13H,5-9H2/t12?,13-/m0/s1	C15H16N2O4S	320.364	6	0	83.14	4	1	0	-1.5747	0.901889999999999	2.34	1.749	52.16	80.92	2.1706	270.151551057778
Cond-006332	NPD6373	NPD6373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.4501593081	COP(=O)(OC)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C13H19N2O4P/c1-18-20(17,19-2)14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,6-9H2,1-2H3/t10-,11+/m1/s1	C13H19N2O4P	298.275	6	0	68.89	3	3	0	-1.2055	0.72757	2.12	-0.722	75.4908	70.2	2.1245	265.407187258845
Cond-006333	NPD6374	NPD6374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.6886663632	O=C(NC(=S)N1CCCCC1c1cccnc1)/C=C/c1cccs1	InChI=1S/C18H19N3OS2/c22-17(9-8-15-6-4-12-24-15)20-18(23)21-11-2-1-7-16(21)14-5-3-10-19-13-14/h3-6,8-10,12-13,16H,1-2,7,11H2,(H,20,22,23)/b9-8+	C18H19N3OS2	357.493	4	1	105.56	3	6	0	0.196799999999999	3.49468	2.78	4.237	57.7569	103.0317	2.6601	318.721691697863
Cond-006334	NPD6375	NPD6375	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.181156122	O=C(NC(=S)NN1CCCCC1c1cnccc1)c1ccco1	InChI=1S/C16H18N4O2S/c21-15(14-7-4-10-22-14)18-16(23)19-20-9-2-1-6-13(20)12-5-3-8-17-11-12/h3-5,7-8,10-11,13H,1-2,6,9H2,(H2,18,19,21,23)	C16H18N4O2S	330.405	6	2	102.49	3	6	0	-0.895800000000001	2.04839	2.45	2.552	44.237	91.6864	2.4163	288.044143998057
Cond-006335	NPD6376	NPD6376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.7678652708	[C@@H]12Cc3c(c(C)nn3C(=S)Nc3c(OC)cccc3)[C@@H]1C2(C)C	InChI=1S/C18H21N3OS/c1-10-15-13(9-11-16(15)18(11,2)3)21(20-10)17(23)19-12-7-5-6-8-14(12)22-4/h5-8,11,16H,9H2,1-4H3,(H,19,23)/t11-,16-/m1/s1	C18H21N3OS	327.444	4	1	68.95	4	4	0	0.8901	4.93977	2.89	4.131	71.4903	97.9437	2.474	304.029126341063
Cond-006336	NPD6377	NPD6377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.909421939	CCCC(=O)N1C[C@@]2(C)CN(C[C@@](C)(C1)C2O)C(=O)CCC	InChI=1S/C17H30N2O3/c1-5-7-13(20)18-9-16(3)11-19(14(21)8-6-2)12-17(4,10-18)15(16)22/h15,22H,5-12H2,1-4H3/t15?,16-,17+	C17H30N2O3	310.432	5	1	60.85	2	6	0	-1.5933	1.87839	2.78	1.3	82.6585	88.4398000000001	2.5764	320.966563055351
Cond-006337	NPD6378	NPD6378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1761492945	COc1cccc([O-])c2c1c(C)[n+](C)c2C	InChI=1S/C13H15NO2/c1-8-12-10(15)6-5-7-11(16-4)13(12)9(2)14(8)3/h5-7H,1-4H3	C13H15NO2	217.264	3	0	36.17	2	1	0	-1.3085	3.88333	2.56	2.146	24.4775	67.481	1.7253	202.286261540756
Cond-006338	NPD6379	NPD6379	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.3509330906	COc1ccccc1[n+]1c(C)c2c([O-])cccc(OC)c2c1C	InChI=1S/C19H19NO3/c1-12-18-15(21)9-7-11-17(23-4)19(18)13(2)20(12)14-8-5-6-10-16(14)22-3/h5-11H,1-4H3	C19H19NO3	309.359	4	0	45.62	3	3	0	-1.4626	5.36833	3.11	4.034	26.0966	94.831	2.3918	283.686561193318
Cond-006339	NPD638	NPD638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.519603167	COc1ccc(CN2CCc3c(C2)cc(OC)c(OC)c3)c(OC)c1C	InChI=1S/C21H27NO4/c1-14-18(23-2)7-6-16(21(14)26-5)12-22-9-8-15-10-19(24-3)20(25-4)11-17(15)13-22/h6-7,10-11H,8-9,12-13H2,1-5H3	C21H27NO4	357.443	5	0	40.16	3	6	0	0.738400000000002	4.24011	3.22	2.786	56.2517	105.753	2.8183	343.241674547213
Cond-006340	NPD6380	NPD6380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.0760127447	COc1ccc(cc1)c1c/c(=N\c2ccccc2N)/c2ccccc2o1	InChI=1S/C22H18N2O2/c1-25-16-12-10-15(11-13-16)22-14-20(17-6-2-5-9-21(17)26-22)24-19-8-4-3-7-18(19)23/h2-14H,23H2,1H3/b24-20+	C22H18N2O2	342.391	4	2	56.84	4	3	1	-1.1471	5.04747	3.44	5.902	29.3313	106.9064	2.618	317.515213775324
Cond-006341	NPD6381	NPD6381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	45.4893035958	COc1cccc(c1)/N=c/1\cc(oc2ccccc12)c1ccc(OC)c(OC)c1	InChI=1S/C24H21NO4/c1-26-18-8-6-7-17(14-18)25-20-15-23(29-21-10-5-4-9-19(20)21)16-11-12-22(27-2)24(13-16)28-3/h4-15H,1-3H3/b25-20+	C24H21NO4	387.428	5	0	49.28	4	5	1	-0.500800000000001	5.48247	3.55	6.044	39.7408	115.598	2.9174	358.690876220013
Cond-006342	NPD6382	NPD6382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.7255348202	CCOc1ccc(cc1)/N=c/1\cc(oc2ccccc12)c1ccc(OC)c(OC)c1	InChI=1S/C25H23NO4/c1-4-29-19-12-10-18(11-13-19)26-21-16-24(30-22-8-6-5-7-20(21)22)17-9-14-23(27-2)25(15-17)28-3/h5-16H,4H2,1-3H3/b26-21+	C25H23NO4	401.454	5	0	49.28	4	6	1	-0.2504	5.87257	3.66	6.467	44.0346	120.215	3.0583	375.98686084588
Cond-006343	NPD6384	NPD6384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.203340895	COc1ccc(cc1OC)c1c/c(=N\c2ccc(Nc3ccccc3)cc2)/c2ccccc2o1	InChI=1S/C29H24N2O3/c1-32-27-17-12-20(18-29(27)33-2)28-19-25(24-10-6-7-11-26(24)34-28)31-23-15-13-22(14-16-23)30-21-8-4-3-5-9-21/h3-19,30H,1-2H3/b31-25+	C29H24N2O3	448.512	5	1	52.08	5	6	1	-0.8694	7.81756	4.1	8.391	35.725	139.0137	3.42540000000001	416.211498053752
Cond-006344	NPD6385	NPD6385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9034623405	COC(=O)c1ccccc1NC(=O)C(CC(=O)[O-])[NH2+]C1CCOC(C1)C(C)C	InChI=1S/C20H28N2O6/c1-12(2)17-10-13(8-9-28-17)21-16(11-18(23)24)19(25)22-15-7-5-4-6-14(15)20(26)27-3/h4-7,12-13,16-17,21H,8-11H2,1-3H3,(H,22,25)(H,23,24)	C20H28N2O6	392.446	8	3	121.37	2	10	0	-3.3538	0.521280000000002	2.78	2.268	65.4615	102.8346	3.0032	377.779362231436
Cond-006345	NPD6386	NPD6386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	14.3901377145	CC1CC2(CCCCC2)N(Cc2ccccc12)C(=O)c1ccccc1	InChI=1S/C23H27NO/c1-18-16-23(14-8-3-9-15-23)24(17-20-12-6-7-13-21(18)20)22(25)19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3	C23H27NO	333.467	2	0	20.31	4	2	1	-1.0651	5.16799000000001	3.77	8.031	45.4958	103.871	2.7724	336.470046295663
Cond-006346	NPD6387	NPD6387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3680942233	[C@@H]12C([C@@H]3O[C@@]1(CN(C2=O)c1ccc(OC)cc1)C=C3)C(=O)OCC	InChI=1S/C18H19NO5/c1-3-23-17(21)14-13-8-9-18(24-13)10-19(16(20)15(14)18)11-4-6-12(22-2)7-5-11/h4-9,13-15H,3,10H2,1-2H3/t13-,14?,15+,18-/m1/s1	C18H19NO5	329.347	6	0	65.07	4	5	0	-0.7244	2.23187	2.78	1.267	60.6335	89.101	2.3457	298.687488669373
Cond-006347	NPD6388	NPD6388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0724318874	[C@@H]12C([C@@H]3O[C@@]1(CN(C2=O)c1ccc(OC)cc1)C=C3)C(=O)OC	InChI=1S/C17H17NO5/c1-21-11-5-3-10(4-6-11)18-9-17-8-7-12(23-17)13(16(20)22-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3/t12-,13?,14+,17-/m1/s1	C17H17NO5	315.321	6	0	65.07	4	4	0	-0.9748	1.84177	2.67	0.844	56.3397	84.484	2.2048	281.391504043506
Cond-006348	NPD6389	NPD6389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.535161889	[C@@H]12C([C@@H]3O[C@@]1(CN(C2=O)c1ccc(OC)cc1)C=C3)C(=O)O	InChI=1S/C16H15NO5/c1-21-10-4-2-9(3-5-10)17-8-16-7-6-11(22-16)12(15(19)20)13(16)14(17)18/h2-7,11-13H,8H2,1H3,(H,19,20)/t11-,12?,13+,16-/m1/s1	C16H15NO5	301.294	6	1	76.07	4	3	0	-1.2258	1.75337	2.56	0.523	51.5706	80.1038	2.0639	264.095519417639
Cond-006349	NPD639	NPD639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.984630999	CCCCCCc1c(OCc2c(OC)cccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C26H30O4/c1-3-4-5-6-10-18-15-22-20-12-9-13-21(20)26(27)30-25(22)16-24(18)29-17-19-11-7-8-14-23(19)28-2/h7-8,11,14-16H,3-6,9-10,12-13,17H2,1-2H3	C26H30O4	406.514	4	0	44.76	4	9	1	-1.4103	7.52226000000001	3.88	7.312	62.8701	125.894	3.2284	401.09546136598
Cond-006350	NPD6390	NPD6390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.649618478	CC(=O)NCCc1c[nH]c2ccc(cc12)N(=O)=O	InChI=1S/C12H13N3O3/c1-8(16)13-5-4-9-7-14-12-3-2-10(15(17)18)6-11(9)12/h2-3,6-7,14H,4-5H2,1H3,(H,13,16)	C12H13N3O3	247.25	6	2	88.03	2	5	0	-0.118	1.77088	2.12	1.673	29.2199	73.9307	1.7997	213.137565330984
Cond-006351	NPD6391	NPD6391	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.6660708966	NCCCc1c[nH]c2ccc(cc12)N(=O)=O	InChI=1S/C11H13N3O2/c12-5-1-2-8-7-13-11-4-3-9(14(15)16)6-10(8)11/h3-4,6-7,13H,1-2,5,12H2	C11H13N3O2	219.24	5	3	84.95	2	4	0	-0.724199999999999	1.90639	2.12	1.755	23.9013	65.7434	1.6431	189.687812705356
Cond-006352	NPD6392	NPD6392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.1948626292	COC(CN/C(=C(\C(=O)C)/C(=C(\C)/O)/C(=O)C)/C)OC	InChI=1S/C14H23NO5/c1-8(15-7-12(19-5)20-6)13(9(2)16)14(10(3)17)11(4)18/h12,15,17H,7H2,1-6H3/b13-8+,14-10+	C14H23NO5	285.336	6	2	84.86	0	8	0	-0.474500000000001	1.56517	2.34	0.346	77.9573	77.9025	2.3025	295.102302370706
Cond-006353	NPD6393	NPD6393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.4966201508	COc1cc2c([nH]c(C(=O)O)c2c2ccccc2)cc1	InChI=1S/C16H13NO3/c1-20-11-7-8-13-12(9-11)14(15(17-13)16(18)19)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,18,19)	C16H13NO3	267.279	4	2	62.32	3	3	0	-0.712	3.48178	2.78	4.439	17.8351	82.6248000000001	1.9691	231.798607315717
Cond-006354	NPD6394	NPD6394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.577026191	COc1ccc(CNc2ncnc3c2[nH]c2c3cc(C)cc2)cc1OC	InChI=1S/C20H20N4O2/c1-12-4-6-15-14(8-12)18-19(24-15)20(23-11-22-18)21-10-13-5-7-16(25-2)17(9-13)26-3/h4-9,11,24H,10H2,1-3H3,(H,21,22,23)	C20H20N4O2	348.398	6	2	72.06	4	5	0	-0.2908	4.16259	3	3.495	31.4459	104.7067	2.6218	299.289682341524
Cond-006355	NPD6396	NPD6396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.7795880021	Oc1c(C/C=C/c2ccccc2)c(=O)[nH]c(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1	InChI=1S/C26H26N4O4S/c31-22-11-5-10-21-19-12-18(14-30(21)22)13-29(15-19)23(32)16-35-26-27-24(33)20(25(34)28-26)9-4-8-17-6-2-1-3-7-17/h1-8,10-11,18-19H,9,12-16H2,(H2,27,28,33,34)/b8-4+/t18-,19-/m0/s1	C26H26N4O4S	490.574	8	2	127.61	5	7	0	-0.141199999999998	2.66885	3.33	3.562	109.8674	136.2675	3.5535	454.225691453047
Cond-006356	NPD6397	NPD6397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3838363007	C/C(=C\1/C(=O)NC(=O)N(Cc2ccccc2)C1=O)/NN1CCCCC1c1cccnc1	InChI=1S/C23H25N5O3/c1-16(26-28-13-6-5-11-19(28)18-10-7-12-24-14-18)20-21(29)25-23(31)27(22(20)30)15-17-8-3-2-4-9-17/h2-4,7-10,12,14,19,26H,5-6,11,13,15H2,1H3,(H,25,29,31)/b20-16+	C23H25N5O3	419.476	8	2	94.64	4	5	0	-1.9082	2.14528	3.11	3.663	61.7394	115.3404	3.16	390.128164427052
Cond-006357	NPD6398	NPD6398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.5997800234	[C@@H]12C3CC4[C@@]5(C)CCC[C@](C)(C5CCC4(C=C3C(C)C)[C@@H]1C(=O)OC2=O)C(=O)O	InChI=1S/C24H32O5/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(27)28)16(24)10-13(14)17-18(24)20(26)29-19(17)25/h11-13,15-18H,5-10H2,1-4H3,(H,27,28)/t13?,15?,16?,17-,18+,22+,23-,24?/m1/s1	C24H32O5	400.508	5	1	80.67	3	2	0	0.196999999999999	4.37188000000001	3.55	4.885	105.885	108.4278	3.0687	395.283094917208
Cond-006358	NPD6399	NPD6399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.9951192686	CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(C2=O)c1cc(O)ccc1	InChI=1S/C16H19NO3/c1-15(2)12-7-8-16(15,3)14(20)17(13(12)19)10-5-4-6-11(18)9-10/h4-6,9,12,18H,7-8H2,1-3H3/t12-,16-/m0/s1	C16H19NO3	273.327	4	1	57.61	3	1	0	0.141099999999999	3.46888	2.78	2.46	49.6337	78.8788	2.0981	261.507983418117
Cond-006359	NPD640	NPD640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.0343327343	COc1c(NC(=O)C/C(=N/NC(=O)c2c(N)cccc2)/C)cc2oc3c(cccc3)c2c1	InChI=1S/C24H22N4O4/c1-14(27-28-24(30)16-8-3-5-9-18(16)25)11-23(29)26-19-13-21-17(12-22(19)31-2)15-7-4-6-10-20(15)32-21/h3-10,12-13H,11,25H2,1-2H3,(H,26,29)(H,28,30)/b27-14+	C24H22N4O4	430.456	8	4	118.95	4	8	0	-2.2863	4.70356	3.22	4.613	44.6167	131.1908	3.1738	378.144698143713
Cond-006360	NPD6400	NPD6400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2599848766	CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(C2=O)c1cc(ccc1)C(=O)O	InChI=1S/C17H19NO4/c1-16(2)12-7-8-17(16,3)15(22)18(13(12)19)11-6-4-5-10(9-11)14(20)21/h4-6,9,12H,7-8H2,1-3H3,(H,20,21)/t12-,17-/m0/s1	C17H19NO4	301.337	5	1	74.68	3	2	0	0.3616	2.66889	2.78	2.66	54.2884	83.5278000000001	2.2547	284.957736043745
Cond-006361	NPD6401	NPD6401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.4799156756	[C@@H]12C3CC4[C@@]5(C)CCC[C@](C)(C5CCC4(C=C3C(C)C)[C@@H]1C(=O)N(C2=O)c1cccc(c1)N(=O)=O)C(=O)O	InChI=1S/C30H36N2O6/c1-16(2)20-15-30-12-9-21-28(3,10-6-11-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)31(25(23)33)17-7-5-8-18(13-17)32(37)38/h5,7-8,13,15-16,19,21-24H,6,9-12,14H2,1-4H3,(H,35,36)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1	C30H36N2O6	520.617	8	1	117.82	4	4	1	0.313399999999999	6.15617000000001	3.88	6.715	110.9248	145.2158	3.8918	496.040456285303
Cond-006362	NPD6402	NPD6402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.797942302	[C@@H]12C3CC4[C@@]5(C)CCC[C@](C)(C5CCC4(C=C3C(C)C)[C@@H]1C(=O)N(C2=O)c1ccc(cc1)S(=O)(=O)N)C(=O)O	InChI=1S/C30H38N2O6S/c1-16(2)20-15-30-13-10-21-28(3,11-5-12-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)32(25(23)33)17-6-8-18(9-7-17)39(31,37)38/h6-9,15-16,19,21-24H,5,10-14H2,1-4H3,(H,35,36)(H2,31,37,38)/t19?,21?,22?,23-,24+,28+,29-,30?/m1/s1	C30H38N2O6S	554.698	8	3	143.22	4	4	0	-1.2832	4.98837000000001	3.77	4.912	118.1764	142.6482	4.0983	517.185939043703
Cond-006363	NPD6403	NPD6403	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9941797851	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C2=O)c1c2ccccc2ccc1	InChI=1S/C20H21NO2/c1-19(2)15-11-12-20(19,3)18(23)21(17(15)22)16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15H,11-12H2,1-3H3/t15-,20+/m1/s1	C20H21NO2	307.386	3	0	37.38	4	1	1	0.601399999999999	4.91648000000001	3.33	5.299	47.0691	94.72	2.4084	293.372319118624
Cond-006364	NPD6404	NPD6404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5229715176	[C@H]12CCCC[N+]1(C)CCC[C@H]2CBr	InChI=1S/C11H21BrN/c1-13-7-3-2-6-11(13)10(9-12)5-4-8-13/h10-11H,2-9H2,1H3/q+1/t10-,11+,13?/m0/s1	C11H21BrN+	247.195	1	0	0	2	1	0	-1.6709	2.7904	2.45	2.614	50.7313	60.0754	1.7376	205.697980719867
Cond-006365	NPD6405	NPD6405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.8153342041	CC(C)OC(=O)C1[C@@H]2O[C@@]3(CN(C(=O)C13)c1ccccc1Br)C=C2	InChI=1S/C18H18BrNO4/c1-10(2)23-17(22)14-13-7-8-18(24-13)9-20(16(21)15(14)18)12-6-4-3-5-11(12)19/h3-8,10,13-15H,9H2,1-2H3/t13-,14?,15?,18-/m1/s1	C18H18BrNO4	392.244	5	0	55.84	4	4	0	-0.0843000000000007	3.37427	2.78	2.605	67.1216	94.844	2.462	309.180880946379
Cond-006366	NPD6406	NPD6406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3857152678	COc1ccccc1COc1ccc2c(cc(=O)oc2c1COc1c(OC)cccc1)c1ccccc1	InChI=1S/C31H26O6/c1-33-26-13-7-6-12-22(26)19-35-27-17-16-23-24(21-10-4-3-5-11-21)18-30(32)37-31(23)25(27)20-36-29-15-9-8-14-28(29)34-2/h3-18H,19-20H2,1-2H3	C31H26O6	494.535	6	0	63.22	5	9	1	-0.314200000000001	7.69726000000001	4.21	8.71	42.6093	149.695	3.68370000000001	455.180626990836
Cond-006367	NPD6408	NPD6408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.2909878325	[C@@H]12C[C@@H](CN(C1)C(=S)Nc1cc(OC)ccc1OC)c1cccc(=O)n1C2	InChI=1S/C20H23N3O3S/c1-25-15-6-7-18(26-2)16(9-15)21-20(27)22-10-13-8-14(12-22)17-4-3-5-19(24)23(17)11-13/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,21,27)/t13-,14+/m1/s1	C20H23N3O3S	385.48	6	1	86.13	4	5	0	-0.5999	3.32096	2.89	2.177	84.504	110.8187	2.8302	353.565090293119
Cond-006368	NPD6409	NPD6409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9622144314	O/C(=C/1\C(=O)C(=O)OC21C(=O)c1ccccc1C2=O)/C=C/c1ccccc1	InChI=1S/C21H12O6/c22-15(11-10-12-6-2-1-3-7-12)16-17(23)20(26)27-21(16)18(24)13-8-4-5-9-14(13)19(21)25/h1-11,22H/b11-10+,16-15+	C21H12O6	360.316	6	1	97.74	4	2	1	-0.9905	2.43317	3.11	5.37	45.6553	95.9748	2.4693	321.650156834568
Cond-006369	NPD641	NPD641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.459136823	CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)cc2oc1=O	InChI=1S/C25H28O5/c1-4-5-6-7-8-22-17(2)21-14-13-20(15-24(21)30-25(22)27)29-16-23(26)18-9-11-19(28-3)12-10-18/h9-15H,4-8,16H2,1-3H3	C25H28O5	408.487	5	0	61.83	3	10	1	-1.0823	6.17177	3.66	6.35	60.9256	120.4915	3.2118	402.309703440675
Cond-006370	NPD6410	NPD6410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.1922962352	Cn1c(=O)n(C)c(O)c(C(=O)CC2NCCc3c2cccc3)c1=O	InChI=1S/C17H19N3O4/c1-19-15(22)14(16(23)20(2)17(19)24)13(21)9-12-11-6-4-3-5-10(11)7-8-18-12/h3-6,12,18,22H,7-9H2,1-2H3	C17H19N3O4	329.35	7	2	89.95	3	3	0	-0.814000000000001	0.94498	2.56	2.374	61.4517	88.2925	2.4113	304.314797759279
Cond-006371	NPD6411	NPD6411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9798354758	[C@@H]12CC(=O)/C(=C(/C)\NCCCCN/C(=C/3\C(=O)C[C@@H]4[C@H]3C4(C)C)/C)/[C@@H]1C2(C)C	InChI=1S/C24H36N2O2/c1-13(19-17(27)11-15-21(19)23(15,3)4)25-9-7-8-10-26-14(2)20-18(28)12-16-22(20)24(16,5)6/h15-16,21-22,25-26H,7-12H2,1-6H3/b19-13+,20-14+/t15-,16-,21-,22-/m1/s1	C24H36N2O2	384.555	4	2	58.2	4	7	0	0.435	4.07007000000001	3.66	4.626	111.7992	114.1124	3.2008	403.262393932658
Cond-006372	NPD6412	NPD6412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.6844022823	[C@@H]12CC(=O)/C(=C(/C)\Nc3cc(Cl)ccc3)/[C@@H]1C2(C)C	InChI=1S/C16H18ClNO/c1-9(18-11-6-4-5-10(17)7-11)14-13(19)8-12-15(14)16(12,2)3/h4-7,12,15,18H,8H2,1-3H3/b14-9+/t12-,15-/m1/s1	C16H18ClNO	275.773	2	1	29.1	3	2	0	1.2382	5.03107	2.89	4.059	53.8914	81.3757	2.1031	259.138597787428
Cond-006373	NPD6413	NPD6413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8038083454	[C@@H]12C[C@@H](c3c(C1)nc1CCCCc1c3)C2(C)C	InChI=1S/C16H21N/c1-16(2)11-8-13(16)12-7-10-5-3-4-6-14(10)17-15(12)9-11/h7,11,13H,3-6,8-9H2,1-2H3/t11-,13+/m1/s1	C16H21N	227.345	1	0	12.89	3	0	1	0.344000000000001	4.05139	3.11	5.013	45.0784	70.253	1.8994	228.053762017234
Cond-006374	NPD6414	NPD6414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.0667720721	[C@@H]12C[C@@]3(OC(=O)c4ccccc4)ON=C(C)[C@H]3[C@@H]1C2(C)C	InChI=1S/C17H19NO3/c1-10-13-14-12(16(14,2)3)9-17(13,21-18-10)20-15(19)11-7-5-4-6-8-11/h4-8,12-14H,9H2,1-3H3/t12-,13+,14-,17-/m1/s1	C17H19NO3	285.338	4	0	47.89	4	3	1	0.539	3.35598	2.89	5.543	51.2896	82.83	2.1304	266.447509343184
Cond-006375	NPD6415	NPD6415	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7182695172	OC1=C(c2ccc(Br)cc2)C(=O)c2c(cccc2)C1=O	InChI=1S/C16H9BrO3/c17-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)15(19)16(13)20/h1-8,20H	C16H9BrO3	329.145	3	1	54.37	3	1	1	0.0703	3.58308	2.78	5.036	29.9951	80.7533000000001	2.0013	248.349007384317
Cond-006376	NPD6416	NPD6416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.3257716368	CNC1CCc2c(c(OC)c(OC)c(OC)c2)c2c1cc([O-])c(=[N+]1CCN(CC1)c1ccccc1OC)cc2	InChI=1S/C31H37N3O5/c1-32-23-12-10-20-18-28(37-3)30(38-4)31(39-5)29(20)21-11-13-24(26(35)19-22(21)23)33-14-16-34(17-15-33)25-8-6-7-9-27(25)36-2/h6-9,11,13,18-19,23,32H,10,12,14-17H2,1-5H3	C31H37N3O5	531.643	8	1	78.26	5	6	0	-3.2099	2.85226000000001	3.99	2.769	102.4793	152.3137	4.0964	511.726515717975
Cond-006377	NPD6417	NPD6417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2865424715	COc1cc2c(cc1OC)c(=O)[nH]c(NC(=N)N)n2	InChI=1S/C11H13N5O3/c1-18-7-3-5-6(4-8(7)19-2)14-11(15-9(5)17)16-10(12)13/h3-4H,1-2H3,(H5,12,13,14,15,16,17)	C11H13N5O3	263.253	8	5	121.82	2	4	0	-0.6548	-0.21615	1.79	0.335	39.4725	72.9935	1.8584	228.73510112145
Cond-006378	NPD6418	NPD6418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.2427992026	[C@@H](Cc1ccccc1)(NC(=O)c1c(C)oc(=O)cc1C)C(=O)O	InChI=1S/C17H17NO5/c1-10-8-14(19)23-11(2)15(10)16(20)18-13(17(21)22)9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1	C17H17NO5	315.321	6	2	92.7	2	6	0	0.011999999999999	1.66187	2.67	3.542	57.8249	84.9645	2.336	300.831504043506
Cond-006379	NPD642	NPD642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.12985208	CC[C@H](C)[C@H](NC(=O)COc1ccc2c(oc(=O)c3c2CCCC3)c1)C(=O)O	InChI=1S/C21H25NO6/c1-3-12(2)19(20(24)25)22-18(23)11-27-13-8-9-15-14-6-4-5-7-16(14)21(26)28-17(15)10-13/h8-10,12,19H,3-7,11H2,1-2H3,(H,22,23)(H,24,25)/t12-,19-/m0/s1	C21H25NO6	387.426	7	2	101.93	3	8	0	-1.9566	3.47947	3	3.186	71.2344	106.2235	2.8927	369.085669247535
Cond-006380	NPD6420	NPD6420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5286084187	COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C21H26N2O5/c1-26-18-10-9-16(14-19(18)27-2)11-12-22-21(25)23-17(20(24)28-3)13-15-7-5-4-6-8-15/h4-10,14,17H,11-13H2,1-3H3,(H2,22,23,25)/t17-/m1/s1	C21H26N2O5	386.442	7	2	85.89	2	12	1	-0.547599999999999	1.92779	3	4.589	53.9148	108.5884	2.9994	370.112202755141
Cond-006381	NPD6421	NPD6421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0447056667	COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1	InChI=1S/C19H22N2O3/c1-24-18(22)17(14-16-10-6-3-7-11-16)21-19(23)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H2,20,21,23)/t17-/m1/s1	C19H22N2O3	326.39	5	2	67.43	2	10	1	-0.444	1.91059	3	6.532	39.2832	95.4844000000001	2.6002	317.939780102285
Cond-006382	NPD6422	NPD6422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3819573337	COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccco1	InChI=1S/C16H18N2O4/c1-21-15(19)14(10-12-6-3-2-4-7-12)18-16(20)17-11-13-8-5-9-22-13/h2-9,14H,10-11H2,1H3,(H2,17,18,20)/t14-/m1/s1	C16H18N2O4	302.325	6	2	80.57	2	9	0	-0.8537	1.10239	2.56	3.726	36.4505	84.5564	2.2792	277.478511626045
Cond-006383	NPD6423	NPD6423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9878325428	COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)cc1	InChI=1S/C19H22N2O4/c1-24-16-10-8-15(9-11-16)13-20-19(23)21-17(18(22)25-2)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,20,21,23)/t17-/m1/s1	C19H22N2O4	342.389	6	2	76.66	2	10	0	-0.751400000000001	1.53719	2.89	4.675	42.1472	96.4134000000001	2.6589	326.730006802846
Cond-006384	NPD6424	NPD6424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.772759561	COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc2c(OCO2)cc1	InChI=1S/C18H18N2O5/c1-23-17(21)14(9-12-5-3-2-4-6-12)20-18(22)19-13-7-8-15-16(10-13)25-11-24-15/h2-8,10,14H,9,11H2,1H3,(H2,19,20,22)/t14-/m1/s1	C18H18N2O5	342.346	7	2	85.89	3	8	0	-1.0139	3.01997	2.67	4.215	37.5913	95.8274	2.4681	305.86779017674
Cond-006385	NPD6425	NPD6425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.4994386013	[C@@H]1(Cc2ccccc2)NC(=O)N(C1=O)c1cc(OC)c(OC)cc1	InChI=1S/C18H18N2O4/c1-23-15-9-8-13(11-16(15)24-2)20-17(21)14(19-18(20)22)10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,19,22)/t14-/m0/s1	C18H18N2O4	326.347	6	1	67.87	3	5	0	-0.949500000000001	2.49638	2.78	4.488	37.7039	92.7757	2.4094	297.077563476179
Cond-006386	NPD6426	NPD6426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.350679407	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(ccc1)N(=O)=O	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-3-8(5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1	C14H18N2O8	342.301	10	4	151.39	2	6	0	-1.7117	-0.489020000000001	1.9	0.821	49.1692	86.2671	2.3182	294.220366578156
Cond-006387	NPD6427	NPD6427	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.3938956486	COc1cccc([O-])c2c1c(C)[n+](c2C)c1ccc(C)c(C)c1	InChI=1S/C20H21NO2/c1-12-9-10-16(11-13(12)2)21-14(3)19-17(22)7-6-8-18(23-5)20(19)15(21)4/h6-11H,1-5H3	C20H21NO2	307.386	3	0	36.39	3	2	1	-0.126799999999999	5.41577	3.33	5.335	29.785	95.559	2.474	292.192319118624
Cond-006388	NPD6428	NPD6428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.031300841	COc1ccc(cc1OC)c1c/c(=N\c2ccccc2N)/c2ccccc2o1	InChI=1S/C23H20N2O3/c1-26-21-12-11-15(13-23(21)27-2)22-14-19(16-7-3-6-10-20(16)28-22)25-18-9-5-4-8-17(18)24/h3-14H,24H2,1-2H3/b25-19+	C23H20N2O3	372.416	5	2	66.07	4	4	1	-1.1989	5.05607	3.44	5.458	36.6471	113.4584	2.8176	343.601425101752
Cond-006389	NPD6429	NPD6429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.3969890699	COc1ccc(cc1OC)c1c/c(=N\c2ccc(NC(=O)C)cc2)/c2ccccc2o1	InChI=1S/C25H22N2O4/c1-16(28)26-18-9-11-19(12-10-18)27-21-15-24(31-22-7-5-4-6-20(21)22)17-8-13-23(29-2)25(14-17)30-3/h4-15H,1-3H3,(H,26,28)/b27-21+	C25H22N2O4	414.453	6	1	69.15	4	6	1	-1.0739	6.26625	3.55	5.734	45.2909	126.8357	3.1151	384.347162353247
Cond-006390	NPD643	NPD643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.2454998274	C/C(=C\CC/C(=N/NC(=O)N)/C)/CCC1C(=CCC2C(C)(C)CCC[C@@]12C)C	InChI=1S/C24H41N3O/c1-17(9-7-10-19(3)26-27-22(25)28)11-13-20-18(2)12-14-21-23(4,5)15-8-16-24(20,21)6/h9,12,20-21H,7-8,10-11,13-16H2,1-6H3,(H3,25,27,28)/b17-9+,26-19+/t20?,21?,24-/m0/s1	C24H41N3O	387.602	4	3	67.48	2	8	1	2.5372	5.68416000000001	3.66	8.03	116.304	122.2751	3.4591	430.181844841864
Cond-006391	NPD6430	NPD6430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.0404436195	[C@@H]12C([C@@H]3O[C@@]1(CN(C2=O)c1ccc(OC)cc1)C=C3)C(=O)OC(C)C	InChI=1S/C19H21NO5/c1-11(2)24-18(22)15-14-8-9-19(25-14)10-20(17(21)16(15)19)12-4-6-13(23-3)7-5-12/h4-9,11,14-16H,10H2,1-3H3/t14-,15?,16+,19-/m1/s1	C19H21NO5	343.374	6	0	65.07	4	5	0	-1.0249	2.62037	2.89	1.727	65.8383	93.696	2.4866	315.98347329524
Cond-006392	NPD6432	NPD6432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6056918952	COc1c2C(CC(=O)c3ccc(o3)c3cc(ccc3Cl)C(F)(F)F)N(C)CCc2cc2c1OCO2	InChI=1S/C25H21ClF3NO5/c1-30-8-7-13-9-21-23(34-12-33-21)24(32-2)22(13)17(30)11-18(31)20-6-5-19(35-20)15-10-14(25(27,28)29)3-4-16(15)26/h3-6,9-10,17H,7-8,11-12H2,1-2H3	C25H21ClF3NO5	507.886	6	0	61.14	5	6	0	1.4371	6.47507	3.11	4.894	59.509	130.196	3.2699	411.107290568593
Cond-006393	NPD6433	NPD6433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.6780321258	COC(=O)c1c(/N=N/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c([nH]1)cccc2	InChI=1S/C21H21N5O3/c1-29-21(28)20-19(15-5-2-3-6-16(15)22-20)23-24-25-10-13-9-14(12-25)17-7-4-8-18(27)26(17)11-13/h2-8,13-14,22H,9-12H2,1H3/b24-23+/t13-,14-/m0/s1	C21H21N5O3	391.423	8	1	90.36	5	4	0	-1.2674	2.93126	2.89	1.693	74.4415	110.215	2.8126	345.816195175319
Cond-006394	NPD6434	NPD6434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1986434775	COc1ccc(CNC(=O)NCCc2c[nH]c3c2cccc3)cc1	InChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-19(23)20-11-10-15-13-21-18-5-3-2-4-17(15)18/h2-9,13,21H,10-12H2,1H3,(H2,20,22,23)	C19H21N3O2	323.389	5	3	66.15	3	8	0	-0.8211	2.40018	3	3.468	34.4346	98.8064	2.5327	296.88985490909
Cond-006395	NPD6435	NPD6435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.609220687	CCC1(C)OC2CC(OC3CC[C@]4(C=O)C5CC[C@]6(C)[C@@H](CCC6(O)C5CCC4(O)C3)C3=CC(=O)OC3)OC(C)C2O1	InChI=1S/C33H48O9/c1-5-30(4)41-25-15-27(39-19(2)28(25)42-30)40-21-6-11-31(18-34)23-7-10-29(3)22(20-14-26(35)38-17-20)9-13-33(29,37)24(23)8-12-32(31,36)16-21/h14,18-19,21-25,27-28,36-37H,5-13,15-17H2,1-4H3/t19?,21?,22-,23?,24?,25?,27?,28?,29+,30?,31-,32?,33?/m0/s1	C33H48O9	588.729	9	2	120.75	7	5	0	-1.8832	4.12768000000001	4.1	3.513	145.3735	152.8086	4.3974	564.031404651451
Cond-006396	NPD6436	NPD6436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.138951903	CC1OC(CC2OC3(CCCCC3)OC12)OC1CC[C@]2(C=O)C3CC[C@]4(C)[C@@H](CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C35H50O9/c1-21-30-27(43-34(44-30)10-4-3-5-11-34)17-29(41-21)42-23-6-13-32(20-36)25-7-12-31(2)24(22-16-28(37)40-19-22)9-15-35(31,39)26(25)8-14-33(32,38)18-23/h16,20-21,23-27,29-30,38-39H,3-15,17-19H2,1-2H3/t21?,23?,24-,25?,26?,27?,29?,30?,31+,32-,33?,35?/m0/s1	C35H50O9	614.766	9	2	120.75	8	4	0	-3.1378	4.66188000000001	4.32	4.1	145.2225	159.9286	4.5706	586.266915202384
Cond-006397	NPD6437	NPD6437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.3920395958	COc1ccc(cc1)C1OC2CC(OC3CC[C@]4(C=O)C5CC[C@]6(C)[C@@H](CCC6(O)C5CCC4(O)C3)C3=CC(=O)OC3)OC(C)C2O1	InChI=1S/C37H48O10/c1-21-32-29(46-33(47-32)22-4-6-24(42-3)7-5-22)17-31(44-21)45-25-8-13-35(20-38)27-9-12-34(2)26(23-16-30(39)43-19-23)11-15-37(34,41)28(27)10-14-36(35,40)18-25/h4-7,16,20-21,25-29,31-33,40-41H,8-15,17-19H2,1-3H3/t21?,25?,26-,27?,28?,29?,31?,32?,33?,34+,35-,36?,37?/m0/s1	C37H48O10	652.771	10	2	129.98	8	6	0	-1.6374	4.36778000000001	4.43	4.146	138.8572	169.0696	4.78210000000001	610.839735052278
Cond-006398	NPD6438	NPD6438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.3358768131	NC(=O)CNC(=O)c1cc2c([nH]c3c2CCCC3)cc1	InChI=1S/C15H17N3O2/c16-14(19)8-17-15(20)9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7,18H,1-4,8H2,(H2,16,19)(H,17,20)	C15H17N3O2	271.314	5	4	87.98	3	4	0	-2.1498	1.41898	2.56	1.116	37.8854	81.1846	2.0551	243.878833807223
Cond-006399	NPD6439	NPD6439	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.5480855159	C[N+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2c(C1)c1c([nH]2)cccc1	InChI=1S/C17H18N4O2/c1-21(9-11-8-16(22)20-17(23)18-11)7-6-15-13(10-21)12-4-2-3-5-14(12)19-15/h2-5,8,19H,6-7,9-10H2,1H3,(H-,18,20,22,23)/p+1	C17H19N4O2+	311.358	6	3	73.99	4	2	0	-2.8521	1.13777	2.67	0.846	50.5002	90.0728	2.3066	275.792875215923
Cond-006400	NPD644	NPD644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.166683008	CC(NC(=O)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1c(C)cccc1	InChI=1S/C22H30N2O7/c1-11-9-7-8-10-13(11)24-18(25)12(2)23-19(26)16-14-15(29-21(3,4)28-14)17-20(27-16)31-22(5,6)30-17/h7-10,12,14-17,20H,1-6H3,(H,23,26)(H,24,25)/t12?,14-,15+,16?,17-,20-/m1/s1	C22H30N2O7	434.483	9	2	104.35	4	6	0	-1.4348	2.44301	2.89	2.571	82.5921	112.5914	3.1695	399.08509948293
Cond-006401	NPD6440	NPD6440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4202699297	C[N+]1(Cc2c(Cl)cc3OCOc3c2)CCc2c(C1)c1c([nH]2)cccc1	InChI=1S/C20H20ClN2O2/c1-23(10-13-8-19-20(9-16(13)21)25-12-24-19)7-6-18-15(11-23)14-4-2-3-5-17(14)22-18/h2-5,8-9,22H,6-7,10-12H2,1H3/q+1	C20H20ClN2O2+	355.838	4	1	34.25	5	2	0	-1.5736	3.99798	3.11	3.433	39.1326	100.0594	2.5435	297.641917746824
Cond-006402	NPD6441	NPD6441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.372562499	COc1cccc(OCc2c3oc(=O)cc(c4ccccc4)c3ccc2OCc2cccc(OC)c2)c1	InChI=1S/C31H26O6/c1-33-23-11-6-8-21(16-23)19-36-29-15-14-26-27(22-9-4-3-5-10-22)18-30(32)37-31(26)28(29)20-35-25-13-7-12-24(17-25)34-2/h3-18H,19-20H2,1-2H3	C31H26O6	494.535	6	0	63.22	5	9	1	-0.314200000000001	7.14176000000001	4.21	8.499	42.6093	147.368	3.68370000000001	455.180626990836
Cond-006403	NPD6442	NPD6442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.4030613414	COc1c(O)c(/C=N/CC2(O)CCC3C4CCC5CCCC[C@]5(C)C4CC[C@]23C)cc(Br)c1	InChI=1S/C28H40BrNO3/c1-26-11-5-4-6-19(26)7-8-21-22(26)9-12-27(2)23(21)10-13-28(27,32)17-30-16-18-14-20(29)15-24(33-3)25(18)31/h14-16,19,21-23,31-32H,4-13,17H2,1-3H3/b30-16+/t19?,21?,22?,23?,26-,27-,28?/m0/s1	C28H40BrNO3	518.526	4	2	62.05	5	4	1	0.330699999999997	7.11669000000001	3.99	8.458	106.6849	138.5328	3.7897	466.266959205286
Cond-006404	NPD6444	NPD6444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.6850897092	C[C@]12CCC3C(CCC4CCCC[C@]34C)C1CCC2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	InChI=1S/C27H37Cl2NO2/c1-25-10-4-3-5-18(25)6-7-20-21(25)8-11-26(2)22(20)9-12-27(26,32)16-30-15-17-13-19(28)14-23(29)24(17)31/h13-15,18,20-22,31-32H,3-12,16H2,1-2H3/b30-15+/t18?,20?,21?,22?,25-,26-,27?/m0/s1	C27H37Cl2NO2	478.494	3	2	52.82	5	3	1	0.982299999999998	7.65239000000001	3.88	8.66	102.0012	134.3008	3.6599	451.319264442158
Cond-006405	NPD6445	NPD6445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9969982356	C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]2(O)C/N=C/c1cc(Br)ccc1O	InChI=1S/C29H38BrNO4/c1-26-11-12-29(34-13-14-35-29)16-20(26)3-5-22-23(26)7-9-27(2)24(22)8-10-28(27,33)18-31-17-19-15-21(30)4-6-25(19)32/h3-4,6,15,17,22-24,32-33H,5,7-14,16,18H2,1-2H3/b31-17+/t22?,23?,24?,26-,27-,28+/m0/s1	C29H38BrNO4	544.52	5	2	71.28	6	3	1	0.341799999999997	6.30738000000001	3.99	5.802	114.0918	141.7048	3.8377	477.360253130114
Cond-006406	NPD6446	NPD6446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.3433926812	C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O	InChI=1S/C29H37Cl2NO4/c1-26-9-10-29(35-11-12-36-29)15-19(26)3-4-21-22(26)5-7-27(2)23(21)6-8-28(27,34)17-32-16-18-13-20(30)14-24(31)25(18)33/h3,13-14,16,21-23,33-34H,4-12,15,17H2,1-2H3/b32-16+/t21?,22?,23?,26-,27-,28+/m0/s1	C29H37Cl2NO4	534.514	5	2	71.28	6	3	1	0.941599999999996	6.85168000000001	3.88	5.56	116.7239	144.0248	3.9075	488.498769693414
Cond-006407	NPD6447	NPD6447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0602186018	COc1c2C(CN/C=C\3/C(=O)N=C(O)N(C3=O)c3ccccc3C)N(C)CCc2cc2c1OCO2	InChI=1S/C25H26N4O6/c1-14-6-4-5-7-17(14)29-24(31)16(23(30)27-25(29)32)11-26-12-18-20-15(8-9-28(18)2)10-19-21(22(20)33-3)35-13-34-19/h4-7,10-11,18,26H,8-9,12-13H2,1-3H3,(H,27,30,32)/b16-11-	C25H26N4O6	478.497	10	2	112.93	5	5	0	-1.0055	3.29658	3.11	3.617	78.4595	135.0045	3.4095	427.737594871502
Cond-006408	NPD6448	NPD6448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0409477326	COc1c2OCOc2cc2c1CC1(C(C2)C2C(=O)N=C(O)N=C2O)C(=O)N=C(O)N=C1O	InChI=1S/C19H16N4O9/c1-30-11-7-4-19(15(26)22-18(29)23-16(19)27)8(10-13(24)20-17(28)21-14(10)25)2-6(7)3-9-12(11)32-5-31-9/h3,8,10H,2,4-5H2,1H3,(H2,20,21,24,25,28)(H2,22,23,26,27,29)	C19H16N4O9	444.352	13	4	192.19	5	2	0	-2.2473	0.88814	2.12	-0.811	76.9493	114.7712	2.7832	363.868825918785
Cond-006409	NPD6449	NPD6449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.2091840242	OC(=O)CNc1nc2c([nH]cn2)c(O)n1	InChI=1S/C7H7N5O3/c13-3(14)1-8-7-11-5-4(6(15)12-7)9-2-10-5/h2H,1H2,(H,13,14)(H3,8,9,10,11,12,15)	C7H7N5O3	209.162	8	4	124.02	2	3	0	-1.7427	0.31227	1.35	-0.931	20.9459	54.4333	1.3378	151.287621318784
Cond-006410	NPD6450	NPD6450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.471460324	O=C(NCCc1c[nH]c2c1cccc2)NCCc1ccccc1	InChI=1S/C19H21N3O/c23-19(20-12-10-15-6-2-1-3-7-15)21-13-11-16-14-22-18-9-5-4-8-17(16)18/h1-9,14,22H,10-13H2,(H2,20,21,23)	C19H21N3O	307.39	4	3	56.92	3	8	1	-0.5137	2.77358	3.11	5.325	31.5706	97.8774	2.474	288.099628208529
Cond-006411	NPD6451	NPD6451	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.8935633922	COc1c(OC)cc(cc1)C1=NN(CCO)c2nc3c(n2C1)c(=O)n(C)c(=O)n3C	InChI=1S/C19H22N6O5/c1-22-16-15(17(27)23(2)19(22)28)24-10-12(21-25(7-8-26)18(24)20-16)11-5-6-13(29-3)14(9-11)30-4/h5-6,9,26H,7-8,10H2,1-4H3	C19H22N6O5	414.415	11	1	112.73	4	5	0	-1.3683	1.65937	2.34	0.26	69.8592	113.1208	2.8996	354.794356934474
Cond-006412	NPD6452	NPD6452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9394147705	CCOC(=O)C1Cc2c([nH]c3ccccc23)C2N1C(=O)c1c2ccc(OC)c1OC	InChI=1S/C23H22N2O5/c1-4-30-23(27)16-11-14-12-7-5-6-8-15(12)24-19(14)20-13-9-10-17(28-2)21(29-3)18(13)22(26)25(16)20/h5-10,16,20,24H,4,11H2,1-3H3	C23H22N2O5	406.431	7	1	80.86	5	5	0	-1.0423	3.01748	3.22	2.973	53.2414	112.9935	2.9124	354.098337203674
Cond-006413	NPD6453	NPD6453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5800737838	COc1cc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)ccc1	InChI=1S/C20H18O6/c1-12(2)20(22)26-15-7-8-16-17(10-15)24-11-18(19(16)21)25-14-6-4-5-13(9-14)23-3/h4-12H,1-3H3	C20H18O6	354.353	6	0	71.06	3	6	0	-0.480600000000001	5.41455	3	4.558	46.1663	102.7345	2.566	324.620007011902
Cond-006414	NPD6454	NPD6454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	18.6430191792	CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(N=C=S)C4C(=O)C)C3CC=C2C1	InChI=1S/C24H33NO3S/c1-14(26)22-21(25-13-29)12-20-18-6-5-16-11-17(28-15(2)27)7-9-23(16,3)19(18)8-10-24(20,22)4/h5,17-22H,6-12H2,1-4H3/t17?,18?,19?,20?,21?,22?,23-,24-/m0/s1	C24H33NO3S	415.589	4	0	87.82	4	4	1	0.486300000000002	4.86558	3.55	6.138	114.812	121.177	3.2802	416.928425781853
Cond-006415	NPD6456	NPD6456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.8247290392	O=C(NCCc1c[nH]c2c1cccc2)Nc1cc2c(OCCO2)cc1	InChI=1S/C19H19N3O3/c23-19(22-14-5-6-17-18(11-14)25-10-9-24-17)20-8-7-13-12-21-16-4-2-1-3-15(13)16/h1-6,11-12,21H,7-10H2,(H2,20,22,23)	C19H19N3O3	337.372	6	3	75.38	4	6	0	-1.0659	3.92546	2.89	2.871	35.0692	103.0874	2.4828	293.323622908852
Cond-006416	NPD6457	NPD6457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4470566669	COc1c(OC)cc(CCNC(=O)NCCc2c[nH]c3c2cccc3)cc1	InChI=1S/C21H25N3O3/c1-26-19-8-7-15(13-20(19)27-2)9-11-22-21(25)23-12-10-16-14-24-18-6-4-3-5-17(16)18/h3-8,13-14,24H,9-12H2,1-2H3,(H2,22,23,25)	C21H25N3O3	367.441	6	3	75.38	3	10	0	-0.617299999999999	2.79078	3.11	3.382	46.2022	110.9814	2.8732	340.272050861386
Cond-006417	NPD6458	NPD6458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.4528997961	OC(=O)C(Cc1ccccc1)NC(=O)NCCc1ccccc1	InChI=1S/C18H20N2O3/c21-17(22)16(13-15-9-5-2-6-10-15)20-18(23)19-12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)(H2,19,20,23)	C18H20N2O3	312.363	5	3	78.43	2	9	1	-0.694999999999999	1.82219	2.89	6.211	34.5141	91.1042000000001	2.4593	300.643795476418
Cond-006418	NPD6459	NPD6459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.4933205014	COc1ccc2c([nH]c3c2nc[nH]c3=O)c1	InChI=1S/C11H9N3O2/c1-16-6-2-3-7-8(4-6)14-10-9(7)12-5-13-11(10)15/h2-5,14H,1H3,(H,12,13,15)	C11H9N3O2	215.208	5	2	66.48	3	1	0	-1.1412	0.96388	2.12	1.186	25.6083	64.7377	1.4915	174.694895303756
Cond-006419	NPD646	NPD646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1897167928	COc1cc2c(cc1OC)C(=C(O/C/2=C\c1ccccc1)c1ccccc1)c1ccccc1	InChI=1S/C30H24O3/c1-31-27-19-24-25(20-28(27)32-2)29(22-14-8-4-9-15-22)30(23-16-10-5-11-17-23)33-26(24)18-21-12-6-3-7-13-21/h3-20H,1-2H3/b26-18-	C30H24O3	432.51	3	0	27.69	5	5	1	-0.4113	6.56548000000001	4.43	11.85	34.3232	130.036	3.36670000000001	411.513962263286
Cond-006420	NPD6460	NPD6460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.6808964048	COc1ccc(cc1)C(=O)OCc1cc2ccccc2nc1O	InChI=1S/C18H15NO4/c1-22-15-8-6-12(7-9-15)18(21)23-11-14-10-13-4-2-3-5-16(13)19-17(14)20/h2-10H,11H2,1H3,(H,19,20)	C18H15NO4	309.316	5	1	68.65	3	5	0	-0.5916	3.39479	2.89	3.954	20.8843	89.0938	2.2666	272.544344567212
Cond-006421	NPD6461	NPD6461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4202699297	CN1CCc2c(n(CC(O)C[NH+]3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc23)C1=O	InChI=1S/C26H30N4O3/c1-27-10-9-21-20-5-2-3-6-23(20)30(25(21)26(27)33)16-19(31)15-28-12-17-11-18(14-28)22-7-4-8-24(32)29(22)13-17/h2-8,17-19,31H,9-16H2,1H3/p+1/t17-,18+,19?/m0/s1	C26H31N4O3+	447.549	7	2	70.22	6	4	0	-2.9512	0.938660000000003	3.55	1.03	92.526	128.45	3.3732	412.897587446886
Cond-006422	NPD6462	NPD6462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.8051831993	Cc1cc2c(n(CC(O)CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c(c2c2ccccc2)c2ccccc2)c(C)c1	InChI=1S/C36H37N3O2/c1-24-16-25(2)35-31(17-24)34(27-10-5-3-6-11-27)36(28-12-7-4-8-13-28)39(35)23-30(40)22-37-19-26-18-29(21-37)32-14-9-15-33(41)38(32)20-26/h3-17,26,29-30,40H,18-23H2,1-2H3/t26-,29-,30?/m1/s1	C36H37N3O2	543.698	5	1	48.71	7	6	1	0.055200000000002	6.21450000000001	4.87	8.231	84.126	168.5818	4.2786	517.413465241625
Cond-006423	NPD6463	NPD6463	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3405971449	CCCCOCC(O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C18H28N2O3/c1-2-3-7-23-13-16(21)12-19-9-14-8-15(11-19)17-5-4-6-18(22)20(17)10-14/h4-6,14-16,21H,2-3,7-13H2,1H3/t14-,15+,16?/m0/s1	C18H28N2O3	320.427	5	1	53.01	3	7	0	-1.9092	1.48427	2.89	0.476	88.277	91.4098	2.5657	323.269630279618
Cond-006424	NPD6464	NPD6464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.5880479366	Oc1ccc2nc3CCCCCn3c(=O)c2c1CC=C	InChI=1S/C16H18N2O2/c1-2-6-11-13(19)9-8-12-15(11)16(20)18-10-5-3-4-7-14(18)17-12/h2,8-9,19H,1,3-7,10H2	C16H18N2O2	270.326	4	1	52.9	3	2	0	-0.849300000000001	2.97277	2.78	2.363	49.1027	82.1738	2.0962	261.078058224923
Cond-006425	NPD6465	NPD6465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9373066612	Cn1c2c(n(CC(O)C[NH+]3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cn2)c(=O)n(C)c1=O	InChI=1S/C21H26N6O4/c1-23-19-18(20(30)24(2)21(23)31)26(12-22-19)11-15(28)10-25-7-13-6-14(9-25)16-4-3-5-17(29)27(16)8-13/h3-5,12-15,28H,6-11H2,1-2H3/p+1/t13-,14-,15?/m0/s1	C21H27N6O4+	427.477	10	2	103.42	5	4	0	-3.2325	-0.40065	2.67	-1.678	96.5013	115.008	3.0786	383.094328836047
Cond-006426	NPD6466	NPD6466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6127494787	CC(=O)N1C(CC(=O)OC1c1cc2c(OCO2)cc1)c1ccccc1	InChI=1S/C19H17NO5/c1-12(21)20-15(13-5-3-2-4-6-13)10-18(22)25-19(20)14-7-8-16-17(9-14)24-11-23-16/h2-9,15,19H,10-11H2,1H3	C19H17NO5	339.342	6	0	65.07	4	3	0	-0.9021	3.00308	2.89	3.936	37.7543	91.466	2.4006	299.81055589364
Cond-006427	NPD6468	NPD6468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0080428954	CCCCCCN1CC2=C(Nc3c(cccc3)N=C2O)C1=O	InChI=1S/C17H21N3O2/c1-2-3-4-7-10-20-11-12-15(17(20)22)18-13-8-5-6-9-14(13)19-16(12)21/h5-6,8-9,18H,2-4,7,10-11H2,1H3,(H,19,21)	C17H21N3O2	299.368	5	2	64.93	3	5	0	-2.3889	4.03456	2.78	4.292	54.6136	91.5675000000001	2.3369	289.370803058957
Cond-006428	NPD6469	NPD6469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2747874705	COc1ccc(NC(=O)CC(C(C)C)c2ccco2)cc1	InChI=1S/C17H21NO3/c1-12(2)15(16-5-4-10-21-16)11-17(19)18-13-6-8-14(20-3)9-7-13/h4-10,12,15H,11H2,1-3H3,(H,18,19)	C17H21NO3	287.354	4	1	51.47	2	7	0	-0.5391	4.89058	2.89	4.042	37.9962	86.0137000000001	2.3046	277.623968043984
Cond-006429	NPD647	NPD647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.7329429862	CCCCCCc1c(OCc2cc(OC)c(OC)c(OC)c2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C28H34O6/c1-5-6-7-8-10-19-15-22-20-11-9-12-21(20)28(29)34-24(22)16-23(19)33-17-18-13-25(30-2)27(32-4)26(14-18)31-3/h13-16H,5-12,17H2,1-4H3	C28H34O6	466.566	6	0	63.22	4	11	2	-1.5139	6.98396	3.88	6.213	77.5017	136.671	3.6276	453.267884018836
Cond-006430	NPD6470	NPD6470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3525812882	O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1nc2c(s1)cccc2	InChI=1S/C20H20N4O2S/c25-18(22-20-21-15-4-1-2-6-17(15)27-20)12-23-9-13-8-14(11-23)16-5-3-7-19(26)24(16)10-13/h1-7,13-14H,8-12H2,(H,21,22,25)/t13-,14-/m0/s1	C20H20N4O2S	380.463	6	1	93.78	5	4	0	-1.0005	3.56035	2.89	1.336	74.6339	109.2097	2.7197	329.878706399124
Cond-006431	NPD6471	NPD6471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7192090007	[C@H]12SC(C)(C)C(N1C(=O)[C@H]2NC=C1C(=O)N(C)C(=O)N(C)C1=O)C(=O)O	InChI=1S/C15H18N4O6S/c1-15(2)8(13(23)24)19-11(22)7(12(19)26-15)16-5-6-9(20)17(3)14(25)18(4)10(6)21/h5,7-8,12,16H,1-4H3,(H,23,24)/t7-,8?,12-/m1/s1	C15H18N4O6S	382.392	10	2	152.63	3	3	0	-1.2112	-0.81412	1.9	-0.753	88.9046	92.6435	2.5532	330.345524875235
Cond-006432	NPD6472	NPD6472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0033454779	Cn1c(=O)n(C)c([O-])c([S+](C)CC[C@H](N)C(=O)O)c1=O	InChI=1S/C11H17N3O5S/c1-13-8(15)7(9(16)14(2)11(13)19)20(3)5-4-6(12)10(17)18/h6H,4-5,12H2,1-3H3,(H-,15,16,17,18)/t6-,20?/m0/s1	C11H17N3O5S	303.335	8	3	127	1	5	0	-2.6313	-1.75022	1.68	-2.699	62.0493	74.3122	2.1343	271.360434266239
Cond-006433	NPD6473	NPD6473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.2568914553	COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N(Cc2ccccc2)C(=O)N=C1O	InChI=1S/C24H22N4O5/c1-33-23(31)20(11-16-12-25-19-10-6-5-9-17(16)19)26-13-18-21(29)27-24(32)28(22(18)30)14-15-7-3-2-4-8-15/h2-10,12-13,20,25-26H,11,14H2,1H3,(H,27,29,32)/b18-13-	C24H22N4O5	446.455	9	3	124.09	4	8	1	-2.1292	1.85006	3.11	5.046	60.4895	125.5935	3.23250000000001	397.834924844274
Cond-006434	NPD6474	NPD6474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.806145597	CCOc1ccccc1N1C(=O)N=C([O-])/C(=C/NCC2[NH+](C)CCc3cc4c(OCO4)c(OC)c23)/C1=O	InChI=1S/C26H28N4O7/c1-4-35-19-8-6-5-7-17(19)30-25(32)16(24(31)28-26(30)33)12-27-13-18-21-15(9-10-29(18)2)11-20-22(23(21)34-3)37-14-36-20/h5-8,11-12,18,27H,4,9-10,13-14H2,1-3H3,(H,28,31,33)/b16-12-	C26H28N4O7	508.523	11	2	126.19	5	7	0	-3.5838	0.997750000000004	3.11	2.794	79.3912	138.7624	3.6091	453.82380619793
Cond-006435	NPD6475	NPD6475	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.7574986824	COc1c2C(C#CCn3c4c(CCCC4)c(=O)c4c3cccc4)N(C)CCc2cc2c1OCO2	InChI=1S/C28H28N2O4/c1-29-15-13-18-16-24-27(34-17-33-24)28(32-2)25(18)23(29)12-7-14-30-21-10-5-3-8-19(21)26(31)20-9-4-6-11-22(20)30/h3,5,8,10,16,23H,4,6,9,11,13-15,17H2,1-2H3	C28H28N2O4	456.533	6	0	51.24	6	2	0	-0.1034	5.17666000000001	3.88	4.517	81.0307	135.297	3.4066	427.695116230847
Cond-006436	NPD6476	NPD6476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.0667720721	COc1cccc(NC(=O)c2c(O)c3c(cc(OC)c(OC)c3)nc2O)c1	InChI=1S/C19H18N2O6/c1-25-11-6-4-5-10(7-11)20-18(23)16-17(22)12-8-14(26-2)15(27-3)9-13(12)21-19(16)24/h4-9H,1-3H3,(H,20,23)(H2,21,22,24)	C19H18N2O6	370.356	8	3	110.14	3	6	0	-1.7108	3.89777	2.67	2.276	34.5181	103.4293	2.6247	318.417542802368
Cond-006437	NPD6477	NPD6477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9152173415	CCOC(=O)c1ccc(NC(=O)c2c(O)c3c(cc(OC)c(OC)c3)nc2O)cc1	InChI=1S/C21H20N2O7/c1-4-30-21(27)11-5-7-12(8-6-11)22-19(25)17-18(24)13-9-15(28-2)16(29-3)10-14(13)23-20(17)26/h5-10H,4H2,1-3H3,(H,22,25)(H2,23,24,26)	C21H20N2O7	412.393	9	3	127.21	3	8	0	-1.3974	3.46578	2.78	2.701	43.4845	112.5908	2.9222	359.163280053863
Cond-006438	NPD6478	NPD6478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.7466831649	CCCOC(=O)c1ccc(NC(=O)c2c(O)c3c(cc(OC)c(OC)c3)nc2O)cc1	InChI=1S/C22H22N2O7/c1-4-9-31-22(28)12-5-7-13(8-6-12)23-20(26)18-19(25)14-10-16(29-2)17(30-3)11-15(14)24-21(18)27/h5-8,10-11H,4,9H2,1-3H3,(H,23,26)(H2,24,25,27)	C22H22N2O7	426.419	9	3	127.21	3	9	0	-1.9752	3.85588	2.89	3.059	47.0165	117.2078	3.0631	376.45926467973
Cond-006439	NPD648	NPD648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0501276837	COc1cc2c(oc3c2cccc3)cc1NC(=O)C(=O)N/N=C(\C)/CC(=O)Nc1ccc(cc1)C(C)C	InChI=1S/C28H28N4O5/c1-16(2)18-9-11-19(12-10-18)29-26(33)13-17(3)31-32-28(35)27(34)30-22-15-24-21(14-25(22)36-4)20-7-5-6-8-23(20)37-24/h5-12,14-16H,13H2,1-4H3,(H,29,33)(H,30,34)(H,32,35)/b31-17+	C28H28N4O5	500.546	9	3	122.03	4	11	2	-1.5983	6.43525000000001	3.55	6.015	62.1039	150.6381	3.75310000000001	453.482404646942
Cond-006440	NPD6480	NPD6480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8683037245	COc1cccc(CNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)c1OC	InChI=1S/C34H45NO8/c1-32-15-12-23(36)18-22(32)8-9-24-25(32)13-16-33(2)26(24)14-17-34(33,40)28(37)20-43-30(39)11-10-29(38)35-19-21-6-5-7-27(41-3)31(21)42-4/h5-7,18,24-26,40H,8-17,19-20H2,1-4H3,(H,35,38)/t24?,25?,26?,32?,33?,34-/m0/s1	C34H45NO8	595.723	9	2	128.23	5	12	1	-0.643299999999999	4.85158000000001	4.21	3.285	134.4668	162.7965	4.5816	584.164546682524
Cond-006441	NPD6481	NPD6481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.485195601	CCn1c(O)nc2cc(ccc2c1=O)C(=O)O	InChI=1S/C11H10N2O4/c1-2-13-9(14)7-4-3-6(10(15)16)5-8(7)12-11(13)17/h3-5H,2H2,1H3,(H,12,17)(H,15,16)	C11H10N2O4	234.208	6	2	90.2	2	2	0	-0.0850999999999998	1.27208	2.01	1.258	33.1288	63.6721	1.6177	204.535047197511
Cond-006442	NPD6482	NPD6482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3339735236	Oc1nc2cc3c(OCCO3)cc2cc1C=O	InChI=1S/C12H9NO4/c14-6-8-3-7-4-10-11(17-2-1-16-10)5-9(7)13-12(8)15/h3-6H,1-2H2,(H,13,15)	C12H9NO4	231.204	5	1	68.65	3	1	0	-0.9377	1.99328	2.23	1.336	21.5211	64.8678	1.5502	187.577812914411
Cond-006443	NPD6483	NPD6483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.299517571	Nc1ncnc2c1nc(N/N=C\1/N(Cc3ccccc3)c3c(cc(Br)cc3)C1=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C25H23BrN8O5/c26-13-6-7-15-14(8-13)18(36)23(33(15)9-12-4-2-1-3-5-12)31-32-25-30-17-21(27)28-11-29-22(17)34(25)24-20(38)19(37)16(10-35)39-24/h1-8,11,16,19-20,24,35,37-38H,9-10H2,(H,30,32)(H2,27,28,29)/b31-23+/t16-,19-,20-,24-/m1/s1	C25H23BrN8O5	595.405	13	6	184.24	6	6	1	-2.5395	1.98866	2.67	4.579	65.1723	149.9745	3.73040000000001	442.788651878775
Cond-006444	NPD6484	NPD6484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.162333951	Nc1ncnc2c1nc(N/N=C\1/N(C/C=C/c3ccccc3)c3c(cc(Br)cc3)C1=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C27H25BrN8O5/c28-15-8-9-17-16(11-15)20(38)25(35(17)10-4-7-14-5-2-1-3-6-14)33-34-27-32-19-23(29)30-13-31-24(19)36(27)26-22(40)21(39)18(12-37)41-26/h1-9,11,13,18,21-22,26,37,39-40H,10,12H2,(H,32,34)(H2,29,30,31)/b7-4+,33-25+/t18-,21-,22-,26-/m1/s1	C27H25BrN8O5	621.442	13	6	184.24	6	7	2	-2.0717	2.65865000000001	2.89	5.978	75.4909	159.8655	3.96920000000001	474.744162429708
Cond-006445	NPD6485	NPD6485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.1285181883	CNC(=S)N(C)CCc1c(/C=C/2\C(=O)N=C(O)N(C2=O)c2ccc(F)cc2)c(OC)c2OCOc2c1	InChI=1S/C24H23FN4O6S/c1-26-24(36)28(2)9-8-13-10-18-20(35-12-34-18)19(33-3)16(13)11-17-21(30)27-23(32)29(22(17)31)15-6-4-14(25)5-7-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,36)(H,27,30,32)/b17-11+	C24H23FN4O6S	514.526	10	2	145.02	4	8	0	0.172899999999999	3.38915	2.78	3.629	83.9103	139.5235	3.5154	444.738193153542
Cond-006446	NPD6486	NPD6486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7925097743	CN1C(=O)N(C)C(=O)C(=CNc2ncnc3c2[nH]cn3)C1=O	InChI=1S/C12H11N7O3/c1-18-10(20)6(11(21)19(2)12(18)22)3-13-8-7-9(15-4-14-7)17-5-16-8/h3-5H,1-2H3,(H2,13,14,15,16,17)	C12H11N7O3	301.261	10	2	124.18	3	2	0	-1.7597	0.38256	1.68	-1.104	46.1592	79.0147	2.0043	239.495230061251
Cond-006447	NPD6487	NPD6487	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.1253858289	Cc1cc(C)n/c(=N\C2=NC(=O)CC(N2CCc2c[nH]c3c2cccc3)C(=O)O)/[nH]1	InChI=1S/C21H22N6O3/c1-12-9-13(2)24-20(23-12)26-21-25-18(28)10-17(19(29)30)27(21)8-7-14-11-22-16-6-4-3-5-15(14)16/h3-6,9,11,17,22H,7-8,10H2,1-2H3,(H,29,30)(H,23,24,25,26,28)	C21H22N6O3	406.438	9	3	122.51	4	5	0	-2.2357	1.95455	2.78	2.183	76.6274	120.7045	2.978	366.532955383485
Cond-006448	NPD6488	NPD6488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.9633948373	COc1cc2c(cc1)c1ccc([O-])c(C[NH+](C)C)c1oc2=O	InChI=1S/C17H17NO4/c1-18(2)9-14-15(19)7-6-12-11-5-4-10(21-3)8-13(11)17(20)22-16(12)14/h4-8,19H,9H2,1-3H3	C17H17NO4	299.321	5	1	63.03	3	3	0	-2.1647	2.11598	2.78	1.83	29.7131	88.0687	2.2117	271.421277342945
Cond-006449	NPD6489	NPD6489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6514392848	C[NH+](C)Cc1c([O-])c(O)c2oc(=O)c3c(CCC3)c2c1	InChI=1S/C15H17NO4/c1-16(2)7-8-6-11-9-4-3-5-10(9)15(19)20-14(11)13(18)12(8)17/h6,17-18H,3-5,7H2,1-2H3	C15H17NO4	275.3	5	2	74.03	3	2	0	-2.6598	1.50427	2.56	0.643	45.4827	77.4685	2.0159	253.002225492812
Cond-006450	NPD649	NPD649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.0678142438	COc1ccc(cc1)C(=O)N/N=C(\C)/CC(=O)Nc1c(OC)cc2c(oc3c2cccc3)c1	InChI=1S/C25H23N3O5/c1-15(27-28-25(30)16-8-10-17(31-2)11-9-16)12-24(29)26-20-14-22-19(13-23(20)32-3)18-6-4-5-7-21(18)33-22/h4-11,13-14H,12H2,1-3H3,(H,26,29)(H,28,30)/b27-15+	C25H23N3O5	445.467	8	2	102.16	4	9	0	-1.5882	5.12996	3.33	4.559	47.7104	133.3304	3.2736	393.234149261974
Cond-006451	NPD6490	NPD6490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.7520634703	CC1CCC2C(C1)c1c(OC2(C)C)nc(O)n(Cc2ccccc2)c1=O	InChI=1S/C21H26N2O3/c1-13-9-10-16-15(11-13)17-18(26-21(16,2)3)22-20(25)23(19(17)24)12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,22,25)	C21H26N2O3	354.443	5	1	62.13	4	2	1	0.901699999999998	3.73387	3.22	5.707	71.8376	102.2728	2.7508	343.991749354019
Cond-006452	NPD6492	NPD6492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.9102819123	Cc1cn(C2OC(CO)C=C2)c(=O)nc1O	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)	C10H12N2O4	224.213	6	2	82.36	2	2	0	-0.504200000000001	-0.0962400000000001	1.9	-0.383	55.3512	59.0716	1.5628	203.411979973245
Cond-006453	NPD6493	NPD6493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.3540251961	Cc1cn(C2CC(N=N#N)C(CO)O2)c(=O)nc1O	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)	C10H13N5O4	267.241	9	2	94.72	2	3	0	-3.889	0.22539	1.57	-0.526	56.2487	62.8586	1.8192	233.765801896945
Cond-006454	NPD6494	NPD6494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.3480119807	CC(C)c1ccc(/C=C/c2nc3c(cccc3)c(O)n2)cc1	InChI=1S/C19H18N2O/c1-13(2)15-10-7-14(8-11-15)9-12-18-20-17-6-4-3-5-16(17)19(22)21-18/h3-13H,1-2H3,(H,20,21,22)/b12-9+	C19H18N2O	290.359	3	1	46.01	3	3	1	0.5804	5.51856	3.22	7.296	27.151	93.309	2.3312	274.466409299562
Cond-006455	NPD6495	NPD6495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.4344605254	[O-]c1ccc2oc3c(CCCNC3=O)c2c1C[NH+]1CCOCC1	InChI=1S/C17H20N2O4/c20-13-3-4-14-15(12(13)10-19-6-8-22-9-7-19)11-2-1-5-18-17(21)16(11)23-14/h3-4,20H,1-2,5-10H2,(H,18,21)	C17H20N2O4	316.352	6	2	78.97	4	2	0	-3.337	0.477480000000001	2.67	0.0649999999999999	46.7299	89.4714	2.2889	275.334496251912
Cond-006456	NPD6496	NPD6496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9308137275	OC(=O)c1cc2c(O)c3c(cccc3)nc2oc1=O	InChI=1S/C13H7NO5/c15-10-6-3-1-2-4-9(6)14-11-7(10)5-8(12(16)17)13(18)19-11/h1-5H,(H,14,15)(H,16,17)	C13H7NO5	257.198	6	2	96.72	3	1	0	-0.519	1.78377	2.23	2.226	25.1741	67.8776	1.6638	208.391106839239
Cond-006457	NPD6497	NPD6497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.4724146604	COc1ccc2[nH]c(=O)c(/C=N/C)cc2c1	InChI=1S/C12H12N2O2/c1-13-7-9-5-8-6-10(16-2)3-4-11(8)14-12(9)15/h3-7H,1-2H3,(H,14,15)/b13-7+	C12H12N2O2	216.236	4	1	50.69	2	2	0	-0.6826	2.38257	2.34	1.508	36.8233	66.4407	1.6412	204.250578422256
Cond-006458	NPD6498	NPD6498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.1020874774	COc1ccc(cc1)C(=O)OCc1cc2cc(OC)ccc2[nH]c1=O	InChI=1S/C19H17NO5/c1-23-15-5-3-12(4-6-15)19(22)25-11-14-9-13-10-16(24-2)7-8-17(13)20-18(14)21/h3-10H,11H2,1-2H3,(H,20,21)	C19H17NO5	339.342	6	1	73.86	3	6	0	-0.545700000000002	2.68198	2.89	3.073	42.1755	94.8367	2.4662	309.53055589364
Cond-006459	NPD6499	NPD6499	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5614925578	COc1ccc2[nH]c(=O)c(COC(=O)C)cc2c1	InChI=1S/C13H13NO4/c1-8(15)18-7-10-5-9-6-11(17-2)3-4-12(9)14-13(10)16/h3-6H,7H2,1-2H3,(H,14,16)	C13H13NO4	247.247	5	1	64.63	2	4	0	-0.484000000000001	1.64498	2.34	1.404	40.2841	68.4147	1.7997	228.130256241078
Cond-006460	NPD65	NPD65	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5421647979	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCC(=O)c1cc2c(OCO2)cc1	InChI=1S/C23H16O6/c1-13-19(26-11-18(24)14-6-8-20-21(10-14)28-12-27-20)9-7-16-15-4-2-3-5-17(15)23(25)29-22(13)16/h2-10H,11-12H2,1H3	C23H16O6	388.37	6	0	71.06	5	4	0	-0.3715	5.47849	3.33	4.954	30.793	113.2215	2.6855	335.622126086302
Cond-006461	NPD650	NPD650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	75.9472472263	CCOc1ccc(cc1)c1nc(Cc2ccccc2)c2cc(OC)c(OC)cc2c1	InChI=1S/C26H25NO3/c1-4-30-21-12-10-19(11-13-21)23-15-20-16-25(28-2)26(29-3)17-22(20)24(27-23)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3	C26H25NO3	399.482	4	0	40.58	4	7	1	0.4162	6.17449	3.88	7.634	30.9958	121.604	3.1405	373.592618771186
Cond-006462	NPD6500	NPD6500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6642202254	CC[N+](C)(C)CC1CCCCC1(O)c1cccc(OC)c1	InChI=1S/C18H30NO2/c1-5-19(2,3)14-16-9-6-7-12-18(16,20)15-10-8-11-17(13-15)21-4/h8,10-11,13,16,20H,5-7,9,12,14H2,1-4H3/q+1	C18H30NO2+	292.436	3	1	29.46	2	5	0	-2.0429	2.8282	3.11	3.113	55.8091	85.5872000000001	2.5373	306.25733142209
Cond-006463	NPD6501	NPD6501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0452020029	Oc1nc2cc3c(OCO3)cc2cc1C=O	InChI=1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14)	C11H7NO4	217.178	5	1	68.65	3	1	0	-0.9554	1.95078	2.12	1.473	16.3306	60.0008	1.4093	170.281828288545
Cond-006464	NPD6502	NPD6502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5262820953	COc1cc(OC)cc(NC(=O)[C@@H](NC(=O)C2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(C)C)c1	InChI=1S/C29H46N4O7S/c1-18(2)24(26(35)30-20-15-21(38-6)17-22(16-20)39-7)32-25(34)19-9-12-33(13-10-19)27(36)23(11-14-41-8)31-28(37)40-29(3,4)5/h15-19,23-24H,9-14H2,1-8H3,(H,30,35)(H,31,37)(H,32,34)/t23-,24-/m0/s1	C29H46N4O7S	594.763	11	3	160.6	2	18	1	-1.0807	3.86618000000001	3.33	3.495	126.146	163.5021	4.6501	580.09953633793
Cond-006465	NPD6504	NPD6504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.3691839861	COc1cc(ccc1)C(=O)OCc1cc2cccc(C)c2[nH]c1=O	InChI=1S/C19H17NO4/c1-12-5-3-6-13-9-15(18(21)20-17(12)13)11-24-19(22)14-7-4-8-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,20,21)	C19H17NO4	323.343	5	1	64.63	3	5	0	0.148099999999999	2.75611	3	3.84	40.3618	92.1907	2.4075	300.740329193079
Cond-006466	NPD6505	NPD6505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0671285182	COc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3OC)cc2c1	InChI=1S/C19H17NO5/c1-23-14-7-8-16-12(10-14)9-13(18(21)20-16)11-25-19(22)15-5-3-4-6-17(15)24-2/h3-10H,11H2,1-2H3,(H,20,21)	C19H17NO5	339.342	6	1	73.86	3	6	0	-0.545700000000002	2.68198	2.89	3.838	42.1755	94.8367	2.4662	309.53055589364
Cond-006467	NPD6506	NPD6506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.4265724672	OC[C@H]1OC(C[C@@H]1O)n1cc(F)c(O)nc1=O	InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7?/m0/s1	C9H11FN2O5	246.192	7	3	102.59	2	2	0	-2.3073	-0.92053	1.57	-1.065	49.7525	56.2594	1.5413	203.610239599046
Cond-006468	NPD6507	NPD6507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.0390744678	CN1C(=O)N=C(O)/C(=C/NC2C(O)OC(CO)C(O)C2O)/C1=O	InChI=1S/C12H17N3O8/c1-15-10(20)4(9(19)14-12(15)22)2-13-6-8(18)7(17)5(3-16)23-11(6)21/h2,5-8,11,13,16-18,21H,3H2,1H3,(H,14,19,22)/b4-2-	C12H17N3O8	331.279	11	6	172.15	2	3	2	-3.5877	-3.76983	1.57	-2.011	71.3562	76.6147000000001	2.1792	284.161616235389
Cond-006469	NPD6508	NPD6508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.4984795482	OCC1OC(O)C(N/C=C/2\C(=O)N(C(=O)N=C2O)c2ccc(F)cc2)C(O)C1O	InChI=1S/C17H18FN3O8/c18-7-1-3-8(4-2-7)21-15(26)9(14(25)20-17(21)28)5-19-11-13(24)12(23)10(6-22)29-16(11)27/h1-5,10-13,16,19,22-24,27H,6H2,(H,20,25,28)/b9-5-	C17H18FN3O8	411.339	11	6	172.15	3	4	2	-3.2103	-1.52884	2.01	0.28	66.532	98.1547	2.6638	345.54326341183
Cond-006470	NPD6509	NPD6509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.0168964492	CC1Cc2c(O1)cc(/C=C/C13N=C(O)CCN1c1c(cccc1)C3(C)C)cc2	InChI=1S/C24H26N2O2/c1-16-14-18-9-8-17(15-21(18)28-16)10-12-24-23(2,3)19-6-4-5-7-20(19)26(24)13-11-22(27)25-24/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,25,27)/b12-10+	C24H26N2O2	374.475	4	1	45.06	5	2	1	1.2892	5.72267000000001	3.66	5.871	62.6608	114.9188	2.9202	358.560100428658
Cond-006471	NPD651	NPD651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9423829057	COc1ccc(C2Oc3c(cccc3)C3CC(=NN23)c2cc(OC)c(OC)cc2)c(C(=O)O)c1OC	InChI=1S/C27H26N2O7/c1-32-21-11-9-15(13-23(21)34-3)18-14-19-16-7-5-6-8-20(16)36-26(29(19)28-18)17-10-12-22(33-2)25(35-4)24(17)27(30)31/h5-13,19,26H,14H2,1-4H3,(H,30,31)	C27H26N2O7	490.505	9	1	99.05	5	7	0	-0.5769	4.95789	3.44	4.942	58.7273	137.0588	3.5074	435.589811706663
Cond-006472	NPD6510	NPD6510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.0388229645	[C@@H]12CC[C@@]3(C)O[C@H]3[C@]31OC(=O)C(C[N+](C)(C)CC)[C@@H]3CC[C@H]2C	InChI=1S/C19H32NO3/c1-6-20(4,5)11-13-15-8-7-12(2)14-9-10-18(3)17(23-18)19(14,15)22-16(13)21/h12-15,17H,6-11H2,1-5H3/q+1/t12-,13?,14+,15+,17-,18-,19-/m1/s1	C19H32NO3+	322.462	4	0	38.83	4	3	0	-0.901999999999998	2.84199	3.11	2.491	83.313	90.9624000000001	2.6057	323.803542748518
Cond-006473	NPD6511	NPD6511	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.2139607198	[C@@H]12CC[C@@]3(C)O[C@H]3[C@]31OC(=O)C(C[N+](C)(C)C)[C@@H]3CC[C@H]2C	InChI=1S/C18H30NO3/c1-11-6-7-14-12(10-19(3,4)5)15(20)21-18(14)13(11)8-9-17(2)16(18)22-17/h11-14,16H,6-10H2,1-5H3/q+1/t11-,12?,13+,14+,16-,17-,18-/m1/s1	C18H30NO3+	308.436	4	0	38.83	4	2	0	-1.1524	2.45189	3	2.068	79.0192	86.3454000000001	2.4648	306.507558122651
Cond-006474	NPD6512	NPD6512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.6390470311	[C@@H]12CC[C@@]3(C)O[C@H]3[C@]31OC(=O)C(C[N+](C)(C)CCCC)[C@@H]3CC[C@H]2C	InChI=1S/C21H36NO3/c1-6-7-12-22(4,5)13-15-17-9-8-14(2)16-10-11-20(3)19(25-20)21(16,17)24-18(15)23/h14-17,19H,6-13H2,1-5H3/q+1/t14-,15?,16+,17+,19-,20-,21-/m1/s1	C21H36NO3+	350.515	4	0	38.83	4	5	0	-1.7678	3.62219	3.33	3.418	89.7566	100.1964	2.8875	358.395512000252
Cond-006475	NPD6513	NPD6513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.0963257654	CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O	InChI=1S/C22H38NO3/c1-6-7-8-13-23(4,5)14-16-18-10-9-15(2)17-11-12-21(3)20(26-21)22(17,18)25-19(16)24/h15-18,20H,6-14H2,1-5H3/q+1/t15-,16?,17?,18?,20-,21-,22-/m1/s1	C22H38NO3+	364.542	4	0	38.83	4	6	0	-2.0558	4.01229	3.44	3.987	92.6682	104.8134	3.0284	375.691496626119
Cond-006476	NPD6514	NPD6514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.5234241032	COc1cc(O)c(cc1)c1c(Oc2ccccc2)c(C)n[nH]1	InChI=1S/C17H16N2O3/c1-11-17(22-12-6-4-3-5-7-12)16(19-18-11)14-9-8-13(21-2)10-15(14)20/h3-10,20H,1-2H3,(H,18,19)	C17H16N2O3	296.321	5	2	67.37	3	4	0	-0.6471	4.509	2.78	4.159	20.532	89.5	2.2098	260.091352149751
Cond-006477	NPD6516	NPD6516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.2402771109	Oc1nc(/C=C/c2ncccc2)nc2c1cccc2	InChI=1S/C15H11N3O/c19-15-12-6-1-2-7-13(12)17-14(18-15)9-8-11-5-3-4-10-16-11/h1-10H,(H,17,18,19)/b9-8+	C15H11N3O	249.267	4	1	58.9	3	2	0	0.00749999999999995	3.79016	2.67	3.622	12.8832	77.015	1.8674	216.279231004262
Cond-006478	NPD6517	NPD6517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.4622859364	COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3c(C[n+]4ccccc4)occ3)C(=C)CCC12	InChI=1S/C27H36NO3/c1-20-9-12-24-26(2,14-8-15-27(24,3)25(29)30-4)22(20)11-10-21-13-18-31-23(21)19-28-16-6-5-7-17-28/h5-7,13,16-18,22,24H,1,8-12,14-15,19H2,2-4H3/q+1/t22-,24?,26+,27-/m0/s1	C27H36NO3+	422.58	4	0	43.32	4	7	1	-0.307900000000001	5.45318000000001	3.99	7.051	82.3282	124.584	3.4749	424.552667550653
Cond-006479	NPD6518	NPD6518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.1911653749	N[C@H](CC1=CNC2C=CC=CC12)C(=O)N/N=C/c1c2ncccc2ccc1	InChI=1S/C21H21N5O/c22-18(11-16-12-24-19-9-2-1-8-17(16)19)21(27)26-25-13-15-6-3-5-14-7-4-10-23-20(14)15/h1-10,12-13,17-19,24H,11,22H2,(H,26,27)/b25-13+/t17?,18-,19?/m1/s1	C21H21N5O	359.424	6	4	92.4	4	6	0	-1.3319	1.91035	3.11	2.952	66.651	110.0968	2.7608	337.955741774196
Cond-006480	NPD6519	NPD6519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.5923131445	CC1(C)c2c(cccc2)N2CCC(=NC12/C=C/c1cc2c(cc1)nccc2)O	InChI=1S/C24H23N3O/c1-23(2)19-7-3-4-8-21(19)27-15-12-22(28)26-24(23,27)13-11-17-9-10-20-18(16-17)6-5-14-25-20/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,28)/b13-11+	C24H23N3O	369.459	4	1	48.72	5	2	1	1.38	5.44668000000001	3.66	6.039	46.8797	114.3648	2.8753	344.593716534663
Cond-006481	NPD6520	NPD6520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.1200128038	CC1Oc2c(cccc2)C=C1/C=C/C12N=C(O)CCN1c1c(cccc1)C2(C)C	InChI=1S/C25H26N2O2/c1-17-18(16-19-8-4-7-11-22(19)29-17)12-14-25-24(2,3)20-9-5-6-10-21(20)27(25)15-13-23(28)26-25/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,28)/b14-12+	C25H26N2O2	386.486	4	1	45.06	5	2	1	1.499	5.53197000000001	3.77	6.015	66.8939	116.9668	3.0181	373.219626353725
Cond-006482	NPD6521	NPD6521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8533964378	Cc1ccc(o1)/C=C/C12N=C(O)CCN1c1c(cccc1)C2(C)C	InChI=1S/C20H22N2O2/c1-14-8-9-15(24-14)10-12-20-19(2,3)16-6-4-5-7-17(16)22(20)13-11-18(23)21-20/h4-10,12H,11,13H2,1-3H3,(H,21,23)/b12-10+	C20H22N2O2	322.401	4	1	48.97	4	2	0	1.6654	4.5003	3.22	4.914	54.2313	97.3988000000001	2.5082	304.369079326791
Cond-006483	NPD6522	NPD6522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.9159293047	COc1ccc(Br)cc1/C=C/C12N=C(O)CCN1c1c(cccc1)C2(C)C	InChI=1S/C22H23BrN2O2/c1-21(2)17-6-4-5-7-18(17)25-13-11-20(26)24-22(21,25)12-10-15-14-16(23)8-9-19(15)27-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,26)/b12-10+	C22H23BrN2O2	427.334	4	1	45.06	4	3	1	2.217	5.66958000000001	3.33	5.797	62.7946	113.3158	2.922	355.608208855291
Cond-006484	NPD6523	NPD6523	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7888744084	Cc1cc2c(NC(=O)/C/2=C\2/NC(=O)N=C2O)cc1	InChI=1S/C12H9N3O3/c1-5-2-3-7-6(4-5)8(10(16)13-7)9-11(17)15-12(18)14-9/h2-4H,1H3,(H,13,16)(H2,14,15,17,18)/b9-8+	C12H9N3O3	243.218	6	3	90.79	3	0	0	-1.0116	0.97058	2.12	1.671	37.0888	67.0772	1.6481	209.044647929384
Cond-006485	NPD6524	NPD6524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.1552004024	CCc1ccc2N3CCC(=NC3(/C=C/c3ccc(Br)cc3)C(C)(C)c2c1)O	InChI=1S/C23H25BrN2O/c1-4-16-7-10-20-19(15-16)22(2,3)23(25-21(27)12-14-26(20)23)13-11-17-5-8-18(24)9-6-17/h5-11,13,15H,4,12,14H2,1-3H3,(H,25,27)/b13-11+	C23H25BrN2O	425.361	3	1	35.83	4	3	1	2.5757	6.22338000000001	3.55	7.344	65.8293	116.1418	3.0042	364.113966780597
Cond-006486	NPD6525	NPD6525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.0389372842	CCc1ccc2N3CCC(=NC3(/C=C/c3ccco3)C(C)(C)c2c1)O	InChI=1S/C21H24N2O2/c1-4-15-7-8-18-17(14-15)20(2,3)21(11-9-16-6-5-13-25-16)22-19(24)10-12-23(18)21/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,24)/b11-9+	C21H24N2O2	336.427	4	1	48.97	4	3	1	1.5328	5.05388	3.33	5.309	58.8493	100.7078	2.6491	321.665063952657
Cond-006487	NPD6526	NPD6526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7428950317	CC1(C)c2ccccc2N2CCC(=NC12/C=C/C=C/c1ccccc1)O	InChI=1S/C23H24N2O/c1-22(2)19-13-6-7-14-20(19)25-17-15-21(26)24-23(22,25)16-9-8-12-18-10-4-3-5-11-18/h3-14,16H,15,17H2,1-2H3,(H,24,26)/b12-8+,16-9+	C23H24N2O	344.449	3	1	35.83	4	3	1	1.8478	5.38087000000001	3.66	7.767	57.1983	107.9338	2.7862	342.19388910223
Cond-006488	NPD6528	NPD6528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.447241466	COc1c(/C=C/C=C/C23N=C(O)CCN2c2ccccc2C3(C)C)cccc1	InChI=1S/C24H26N2O2/c1-23(2)19-12-5-6-13-20(19)26-17-15-22(27)25-24(23,26)16-9-8-11-18-10-4-7-14-21(18)28-3/h4-14,16H,15,17H2,1-3H3,(H,25,27)/b11-8+,16-9+	C24H26N2O2	374.475	4	1	45.06	4	4	1	1.796	5.38947000000001	3.66	6.057	64.5141	114.4858	2.9858	368.280100428658
Cond-006489	NPD6529	NPD6529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.3358712303	CCCCCOc1c(OC)cc(/C=C/C23N=C(O)CCN2c2ccccc2C3(C)C)cc1	InChI=1S/C27H34N2O3/c1-5-6-9-18-32-23-13-12-20(19-24(23)31-4)14-16-27-26(2,3)21-10-7-8-11-22(21)29(27)17-15-25(30)28-27/h7-8,10-14,16,19H,5-6,9,15,17-18H2,1-4H3,(H,28,30)/b16-14+	C27H34N2O3	434.57	5	1	54.29	4	8	1	0.373000000000001	6.47608000000001	3.88	6.838	75.1603	130.6358	3.5102	431.59473970762
Cond-006490	NPD6530	NPD6530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.738253653	CC(C)NCC(O)COc1ccc2[nH]cc(CCN)c2c1	InChI=1S/C16H25N3O2/c1-11(2)18-9-13(20)10-21-14-3-4-16-15(7-14)12(5-6-17)8-19-16/h3-4,7-8,11,13,18-20H,5-6,9-10,17H2,1-2H3	C16H25N3O2	291.389	5	5	83.3	2	8	0	-1.9129	1.42569	2.67	0.891	52.1874	88.1909	2.3906	278.80419453549
Cond-006491	NPD6531	NPD6531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.0842993347	COC(=O)Cc1c[nH]c2cccc(OCC(O)CNC(C)C)c12	InChI=1S/C17H24N2O4/c1-11(2)18-9-13(20)10-23-15-6-4-5-14-17(15)12(8-19-14)7-16(21)22-3/h4-6,8,11,13,18-20H,7,9-10H2,1-3H3	C17H24N2O4	320.383	6	3	83.58	2	9	0	-1.3842	1.77828	2.67	1.17	55.3389	93.3755	2.5061	300.047413653512
Cond-006492	NPD6532	NPD6532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.0722729039	Cc1cc(C)n/c(=N/C2=NC(=O)CC3N2CCNC3=O)/[nH]1	InChI=1S/C13H16N6O2/c1-7-5-8(2)16-12(15-7)18-13-17-10(20)6-9-11(21)14-3-4-19(9)13/h5,9H,3-4,6H2,1-2H3,(H,14,21)(H,15,16,17,18,20)	C13H16N6O2	288.305	8	2	98.52	3	1	0	-2.4543	-0.74985	2.01	-0.524	73.81	83.4174	2.0727	264.077145179989
Cond-006493	NPD6533	NPD6533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.127512175	[C@@H]12C=C(C)C3=CC(CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(OC(=O)C)C(=O)C)OC(=O)CCN1CC(C)CC(C)C1	InChI=1S/C34H51NO5/c1-21-16-22(2)20-35(19-21)15-11-31(38)39-26-8-12-32(6)28-9-13-33(7)29(27(28)17-23(3)30(32)18-26)10-14-34(33,24(4)36)40-25(5)37/h17-18,21-22,26-29H,8-16,19-20H2,1-7H3/t21?,22?,26?,27-,28?,29?,32-,33+,34+/m1/s1	C34H51NO5	553.772	6	0	72.91	5	8	1	1.882	6.37227000000001	4.54	6.203	154.6597	157.989	4.5345	576.603242683241
Cond-006494	NPD6534	NPD6534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.7692114228	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1c2OCOc2ccc1	InChI=1S/C33H39NO9/c1-31-12-10-21(35)14-20(31)6-7-22-23-11-13-33(40,32(23,2)15-24(36)29(22)31)26(37)17-41-28(39)9-8-27(38)34-16-19-4-3-5-25-30(19)43-18-42-25/h3-5,10,12,14,22-24,29,36,40H,6-9,11,13,15-18H2,1-2H3,(H,34,38)/t22?,23?,24?,29?,31-,32-,33-/m0/s1	C33H39NO9	593.664	10	3	148.46	6	10	0	-1.3448	3.23607000000001	3.99	1.806	129.6469	156.8413	4.3478	560.665871355618
Cond-006495	NPD6535	NPD6535	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7753389579	CC(=O)OC[C@]12CC[C@H](C1C1CCC3[C@@]4(C)CC[C@H](OC(=O)/C=C/c5ccc(OC(=O)C)c(OC(=O)C)c5)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C	InChI=1S/C45H62O8/c1-27(2)32-17-22-45(26-50-28(3)46)24-23-43(9)33(40(32)45)13-15-37-42(8)20-19-38(41(6,7)36(42)18-21-44(37,43)10)53-39(49)16-12-31-11-14-34(51-29(4)47)35(25-31)52-30(5)48/h11-12,14,16,25,32-33,36-38,40H,1,13,15,17-24,26H2,2-10H3/b16-12+/t32-,33?,36?,37?,38-,40?,42-,43+,44+,45+/m0/s1	C45H62O8	730.969	8	0	105.2	6	12	2	3.08760000000001	9.66026999999999	5.53	13.466	178.3665	205.486999999999	5.88010000000001	748.430699957286
Cond-006496	NPD6536	NPD6536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.9003818277	COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C	InChI=1S/C27H42N4O6S/c1-17-8-9-22(36-6)21(16-17)29-23(32)18(2)28-24(33)19-10-13-31(14-11-19)25(34)20(12-15-38-7)30-26(35)37-27(3,4)5/h8-9,16,18-20H,10-15H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)/t18-,20-/m0/s1	C27H42N4O6S	550.711	10	3	151.37	2	16	1	-0.908500000000003	3.2495	3.22	3.607	115.9632	151.4261	4.3096	536.717340385636
Cond-006497	NPD6537	NPD6537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.1428081487	COc1cccc(/C=C/C23N=C(O)CCN2c2ccc(Br)cc2C3(C)C)c1OC	InChI=1S/C23H25BrN2O3/c1-22(2)17-14-16(24)8-9-18(17)26-13-11-20(27)25-23(22,26)12-10-15-6-5-7-19(28-3)21(15)29-4/h5-10,12,14H,11,13H2,1-4H3,(H,25,27)/b12-10+	C23H25BrN2O3	457.36	5	1	54.29	4	4	1	2.1652	5.67818	3.33	5.142	70.1104	119.8678	3.1216	381.694420181719
Cond-006498	NPD6538	NPD6538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.223609301	[NH3+]NC(=O)Cc1cc(=O)oc2cc([O-])ccc12	InChI=1S/C11H10N2O4/c12-13-10(15)3-6-4-11(16)17-9-5-7(14)1-2-8(6)9/h1-2,4-5,14H,3,12H2,(H,13,15)	C11H10N2O4	234.208	6	4	106.1	2	3	0	-2.7636	-0.72223	2.01	0.458	27.3058	59.3898	1.6177	204.535047197511
Cond-006499	NPD654	NPD654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.1414422779	COc1cc(COc2c3c4c(CCCC4)c(=O)oc3cc(C)c2)cc(OC)c1OC	InChI=1S/C24H26O6/c1-14-9-18(22-16-7-5-6-8-17(16)24(25)30-19(22)10-14)29-13-15-11-20(26-2)23(28-4)21(12-15)27-3/h9-12H,5-8,13H2,1-4H3	C24H26O6	410.46	6	0	63.22	4	6	0	-0.121600000000001	4.77849	3.44	4.148	63.5049	115.021	3.064	384.083945515369
Cond-006500	NPD6540	NPD6540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.9403479891	[C@@H]12C[C@H]3OC(C)(C)O[C@H]3C[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@]1(C)OC(C)(C)OC1CCC(C)(C)OC(=O)C	InChI=1S/C35H54O8/c1-20(36)39-29(2,3)14-13-28-34(10,43-31(6,7)42-28)27-12-16-35(38)22-17-24(37)23-18-25-26(41-30(4,5)40-25)19-32(23,8)21(22)11-15-33(27,35)9/h17,21,23,25-28,38H,11-16,18-19H2,1-10H3/t21?,23-,25+,26-,27?,28?,32+,33+,34+,35+/m0/s1	C35H54O8	602.798	8	1	100.52	6	6	1	0.650900000000001	6.18148000000001	4.43	5.044	159.7435	162.7448	4.7291	602.189605903423
Cond-006501	NPD6541	NPD6541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.4935866658	[C@@H]12C[C@H]3OC(C)(C)O[C@H]3C[C@]1(C)C1CC[C@]3(C)C(CC=C3C1=CC2=O)[C@@]1(C)OC(C)(C)OC1CCC(C)(C)O	InChI=1S/C33H50O6/c1-28(2,35)14-13-27-33(9,39-30(5,6)38-27)26-11-10-20-19-16-23(34)22-17-24-25(37-29(3,4)36-24)18-32(22,8)21(19)12-15-31(20,26)7/h10,16,21-22,24-27,35H,11-15,17-18H2,1-9H3/t21?,22-,24+,25-,26?,27?,31-,32+,33+/m0/s1	C33H50O6	542.746	6	1	74.22	6	4	1	0.840399999999998	6.34207000000001	4.43	5.777	150.7847	151.4438	4.3299	550.017183250569
Cond-006502	NPD6542	NPD6542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.450876832	[O-]C1=NC(=O)NC(=O)C21Cc1c(cccc1)[N+]1CCOCC21	InChI=1S/C15H15N3O4/c19-12-15(13(20)17-14(21)16-12)7-9-3-1-2-4-10(9)18-5-6-22-8-11(15)18/h1-4,11H,5-8H2,(H2,16,17,19,20,21)	C15H14N3O4	300.289	7	2	95.26	4	0	0	-3.1727	-2.35142	2.34	0.495	44.7578	77.3184	2.0639	260.002828507545
Cond-006503	NPD6543	NPD6543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.6424308938	CC1(C)OC(=O)C2(Cc3c(cccc3)N3CCN(CC23)c2ccccc2)C(=O)O1	InChI=1S/C23H24N2O4/c1-22(2)28-20(26)23(21(27)29-22)14-16-8-6-7-11-18(16)25-13-12-24(15-19(23)25)17-9-4-3-5-10-17/h3-11,19H,12-15H2,1-2H3	C23H24N2O4	392.448	6	0	59.08	5	1	1	0.0375999999999985	3.52138	3.33	5.101	57.2334	112.298	2.8967	358.844569203913
Cond-006504	NPD6544	NPD6544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.5313121613	CCC(NC(=O)OC(C)(C)C)C(=O)Oc1c2c(C)cc(=O)oc2cc(C)c1	InChI=1S/C20H25NO6/c1-7-13(21-19(24)27-20(4,5)6)18(23)26-15-9-11(2)8-14-17(15)12(3)10-16(22)25-14/h8-10,13H,7H2,1-6H3,(H,21,24)	C20H25NO6	375.416	7	1	90.93	2	8	0	1.8231	3.79759	2.89	4.184	73.0374	102.6937	2.8604	364.146143322469
Cond-006505	NPD6545	NPD6545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.6337883257	Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1ccc2c(oc(=O)c(C)c2C)c1)c1ccccc1	InChI=1S/C26H23NO6S/c1-16-9-12-21(13-10-16)34(30,31)27-24(19-7-5-4-6-8-19)26(29)32-20-11-14-22-17(2)18(3)25(28)33-23(22)15-20/h4-15,24,27H,1-3H3	C26H23NO6S	477.529	7	1	107.15	4	7	1	0.726799999999999	4.77698	3.44	6.792	51.4325	124.7267	3.43710000000001	426.735864229669
Cond-006506	NPD6546	NPD6546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2702060041	Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1	InChI=1S/C33H29NO6S/c1-21-14-16-26(17-15-21)41(37,38)34-30(25-12-8-5-9-13-25)33(36)39-29-19-18-27-22(2)28(20-24-10-6-4-7-11-24)32(35)40-31(27)23(29)3/h4-19,30,34H,20H2,1-3H3	C33H29NO6S	567.651	7	1	107.15	5	9	1	1.183	6.58330000000001	4.21	10.275	56.0335	155.1657	4.18580000000001	516.641921807536
Cond-006507	NPD6547	NPD6547	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.6193840455	CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C22H21NO6S/c1-13-6-9-16(10-7-13)30(26,27)23-14(2)21(24)28-15-8-11-18-17-4-3-5-19(17)22(25)29-20(18)12-15/h6-12,14,23H,3-5H2,1-2H3	C22H21NO6S	427.47	7	1	107.15	4	6	0	-0.6691	3.90938	3	4.326	58.9694	108.2867	3.0025	376.361301828602
Cond-006508	NPD6548	NPD6548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.2316345428	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OC(=O)CNC(=O)OC(C)(C)C	InChI=1S/C23H23NO6/c1-14-18(28-20(26)13-24-22(27)30-23(2,3)4)11-10-16-17(12-19(25)29-21(14)16)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,24,27)	C23H23NO6	409.432	7	1	90.93	3	8	1	1.3731	4.60289000000001	3.22	6.257	59.9642	115.6787	3.0455	384.868262396869
Cond-006509	NPD6549	NPD6549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.3338592039	C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(cc(=O)oc2c1C)c1ccccc1	InChI=1S/C24H25NO6/c1-14-19(29-22(27)15(2)25-23(28)31-24(3,4)5)12-11-17-18(13-20(26)30-21(14)17)16-9-7-6-8-10-16/h6-13,15H,1-5H3,(H,25,28)/t15-/m0/s1	C24H25NO6	423.458	7	1	90.93	3	8	1	1.4691	4.99139000000001	3.33	6.783	64.6237	120.2737	3.1864	402.164247022736
Cond-006510	NPD655	NPD655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4051830133	C[C@]12CCC3C(CCC4=C/C(=N\OCC(=O)NCC5CCC(CC5)C(=O)O)/CC[C@]34C)C1CCC2O	InChI=1S/C29H44N2O5/c1-28-13-11-21(31-36-17-26(33)30-16-18-3-5-19(6-4-18)27(34)35)15-20(28)7-8-22-23-9-10-25(32)29(23,2)14-12-24(22)28/h15,18-19,22-25,32H,3-14,16-17H2,1-2H3,(H,30,33)(H,34,35)/b31-21-/t18?,19?,22?,23?,24?,25?,28-,29-/m0/s1	C29H44N2O5	500.67	7	3	108.22	5	7	0	-0.227599999999996	4.99967000000001	3.88	4.509	132.9809	142.3213	3.9728	503.756538462876
Cond-006511	NPD6550	NPD6550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3592839015	COc1cc2c(cc1)c1ccc(OC(=O)CNC(=O)OC(C)(C)C)c(C)c1oc2=O	InChI=1S/C22H23NO7/c1-12-17(28-18(24)11-23-21(26)30-22(2,3)4)9-8-15-14-7-6-13(27-5)10-16(14)20(25)29-19(12)15/h6-10H,11H2,1-5H3,(H,23,26)	C22H23NO7	413.421	8	1	100.16	3	8	0	1.1558	3.55481000000001	3	3.942	58.2566	112.9652	3.0063	378.998963172363
Cond-006512	NPD6552	NPD6552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.7524292933	COc1ccc(CNC(=O)N[C@@H](C(C)C)C(=O)O)cc1	InChI=1S/C14H20N2O4/c1-9(2)12(13(17)18)16-14(19)15-8-10-4-6-11(20-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1	C14H20N2O4	280.32	6	3	87.66	1	8	0	-0.4919	1.49799	2.34	1.744	46.7805	77.1142000000001	2.192	271.415918476712
Cond-006513	NPD6553	NPD6553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.1951665638	Fc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Br)ccc2)cc1	InChI=1S/C26H19BrFN3O/c27-18-5-3-4-17(14-18)24-25-21(20-6-1-2-7-22(20)30-25)15-23(31-24)26(32)29-13-12-16-8-10-19(28)11-9-16/h1-11,14-15,30H,12-13H2,(H,29,32)	C26H19BrFN3O	488.351	4	2	57.78	5	6	1	0.5805	6.60247	3.66	7.261	29.3771	135.5927	3.22080000000001	374.82748751187
Cond-006514	NPD6554	NPD6554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.569380616	Brc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)N1CCOCC1	InChI=1S/C22H18BrN3O2/c23-15-5-3-4-14(12-15)20-21-17(16-6-1-2-7-18(16)24-21)13-19(25-20)22(27)26-8-10-28-11-9-26/h1-7,12-13,24H,8-11H2	C22H18BrN3O2	436.301	5	1	58.22	5	3	0	-0.2741	4.96327000000001	3.22	4.411	39.8085	119.878	2.8272	327.175592961057
Cond-006515	NPD6555	NPD6555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.3889841553	Brc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCC1CCCO1	InChI=1S/C23H20BrN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,26H,4,7,10,13H2,(H,25,28)	C23H20BrN3O2	450.328	5	2	67.01	5	5	1	-0.923700000000001	5.39967000000001	3.33	5.022	39.6052	124.4627	2.9681	344.471577586924
Cond-006516	NPD6556	NPD6556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5963143334	Brc1cccc(c1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccnc1	InChI=1S/C24H17BrN4O/c25-17-7-3-6-16(11-17)22-23-19(18-8-1-2-9-20(18)28-23)12-21(29-22)24(30)27-14-15-5-4-10-26-13-15/h1-13,28H,14H2,(H,27,30)	C24H17BrN4O	457.322	5	2	70.67	5	5	1	-0.1548	5.47637	3.44	5.548	24.0528	127.8067	3.0211	345.164719617996
Cond-006517	NPD6557	NPD6557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.2008139561	COC(=O)c1cc2c([nH]c3ccccc23)c(n1)c1cc(OC)ccc1OC	InChI=1S/C21H18N2O4/c1-25-12-8-9-18(26-2)15(10-12)20-19-14(11-17(23-20)21(24)27-3)13-6-4-5-7-16(13)22-19/h4-11,22H,1-3H3	C21H18N2O4	362.379	6	1	73.44	4	5	0	-0.5128	4.53217	3.11	3.878	29.92	109.899	2.6375	309.53614125138
Cond-006518	NPD6558	NPD6558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.3933740311	Cc1nn(c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1)c1ccccn1	InChI=1S/C21H18N4O4/c1-13-9-21(27)29-17-11-15(6-7-16(13)17)28-12-20(26)23-19-10-14(2)24-25(19)18-5-3-4-8-22-18/h3-11H,12H2,1-2H3,(H,23,26)	C21H18N4O4	390.392	8	1	94.82	4	6	0	0.1784	4.67647	2.89	3.451	43.0703	112.1267	2.7941	339.793202966913
Cond-006519	NPD6559	NPD6559	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.6652262387	Cn1c2ccc(C)cc2c2c1c(=O)n(CCc1c[nH]cn1)cn2	InChI=1S/C17H17N5O/c1-11-3-4-14-13(7-11)15-16(21(14)2)17(23)22(10-20-15)6-5-12-8-18-9-19-12/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)	C17H17N5O	307.35	6	1	66.28	4	3	0	-0.6083	2.07709	2.67	2.229	40.0131	93.349	2.2832	263.144720672329
Cond-006520	NPD656	NPD656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.081951868	COc1c(OC)c2c(cc1)C(Nc1cc3c(OCO3)cc1C(=O)C)OC2=O	InChI=1S/C19H17NO7/c1-9(21)11-6-14-15(26-8-25-14)7-12(11)20-18-10-4-5-13(23-2)17(24-3)16(10)19(22)27-18/h4-7,18,20H,8H2,1-3H3	C19H17NO7	371.341	8	1	92.32	4	5	0	-1.0395	3.69908	2.67	2.589	45.6433	98.7082	2.518	317.391009294763
Cond-006521	NPD6560	NPD6560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.6390470311	COc1nsnc1NS(=O)(=O)c1ccc(NC(=S)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)cc1	InChI=1S/C21H22N6O4S3/c1-31-20-19(23-33-24-20)25-34(29,30)16-7-5-15(6-8-16)22-21(32)26-10-13-9-14(12-26)17-3-2-4-18(28)27(17)11-13/h2-8,13-14H,9-12H2,1H3,(H,22,32)(H,23,25)/t13-,14?/m0/s1	C21H22N6O4S3	518.632	10	2	185.47	5	7	0	-0.893999999999999	3.47855000000001	2.34	1.888	96.1233	130.6804	3.4616	421.130254256847
Cond-006522	NPD6561	NPD6561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.2792372591	Nc1cc(=O)n(cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9+,10-/m1/s1	C10H14N2O5	242.229	7	5	116.25	2	2	0	-3.066	-2.28983	1.79	-1.847	58.1914	58.7198	1.6645	214.838665374606
Cond-006523	NPD6562	NPD6562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4441091067	OC12CCCCC1C(N(CC2)C(=O)c1ccco1)c1ccc2OCOc2c1	InChI=1S/C21H23NO5/c23-20(17-5-3-11-25-17)22-10-9-21(24)8-2-1-4-15(21)19(22)14-6-7-16-18(12-14)27-13-26-16/h3,5-7,11-12,15,19,24H,1-2,4,8-10,13H2	C21H23NO5	369.411	6	1	72.14	5	3	0	-2.5345	3.64488000000001	3.11	3.061	49.9516	100.8798	2.6598	327.318983846174
Cond-006524	NPD6564	NPD6564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.3503898301	CCC(C)[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O	InChI=1S/C17H23N3O3/c1-3-11(2)15(16(21)22)20-17(23)18-9-8-12-10-19-14-7-5-4-6-13(12)14/h4-7,10-11,15,19H,3,8-9H2,1-2H3,(H,21,22)(H2,18,20,23)/t11?,15-/m0/s1	C17H23N3O3	317.383	6	4	94.22	2	9	0	-1.2811	2.03018	2.67	2.769	50.2943	93.7432000000001	2.5042	299.617488460318
Cond-006525	NPD6565	NPD6565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.9732949219	CC(O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C13H18N2O4/c1-9(16)8-14-13(19)15-11(12(17)18)7-10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,11-/m0/s1	C13H18N2O4	266.293	6	4	98.66	1	8	0	-1.41	-0.0397100000000005	2.23	2.274	41.9235	72.6390000000001	2.0511	254.119933850845
Cond-006526	NPD6566	NPD6566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.0549877678	CC(C)[C@@H]1NC(=O)N(C1=O)c1cc2c(OCO2)cc1	InChI=1S/C13H14N2O4/c1-7(2)11-12(16)15(13(17)14-11)8-3-4-9-10(5-8)19-6-18-9/h3-5,7,11H,6H2,1-2H3,(H,14,17)/t11-/m0/s1	C13H14N2O4	262.261	6	1	67.87	3	2	0	-0.638100000000001	2.12197	2.23	1.805	39.9468	72.5477	1.8339	229.407016449245
Cond-006527	NPD6567	NPD6567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.3871093125	Fc1c(Cl)cc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C19H14ClFN2O4/c20-13-9-10(5-6-14(13)21)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18?/m0/s1	C19H14ClFN2O4	388.777	6	1	75.71	4	4	0	-0.414800000000001	3.55989	2.67	3.711	41.6239	97.2587	2.5388	320.659257321186
Cond-006528	NPD6568	NPD6568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.6525824817	Fc1c(F)cc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C19H14F2N2O4/c20-13-6-5-10(9-14(13)21)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18?/m0/s1	C19H14F2N2O4	372.322	6	1	75.71	4	4	0	-0.679400000000001	3.04559	2.67	3.574	36.8808	92.2067	2.4341	311.515748401059
Cond-006529	NPD6569	NPD6569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4875734504	CC(C)CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c2c(oc(=O)c3c2CCCC3)cc(C)c1	InChI=1S/C27H31NO6S/c1-16(2)13-22(28-35(31,32)19-11-9-17(3)10-12-19)27(30)34-24-15-18(4)14-23-25(24)20-7-5-6-8-21(20)26(29)33-23/h9-12,14-16,22,28H,5-8,13H2,1-4H3	C27H31NO6S	497.603	7	1	107.15	4	8	1	0.462099999999997	5.35370000000001	3.55	6.653	80.204	130.3247	3.707	462.841224957936
Cond-006530	NPD657	NPD657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.4162196124	CCCCCCc1c(OCc2cc(OC)ccc2)cc2oc(=O)c3c(CCCC3)c2c1	InChI=1S/C27H32O4/c1-3-4-5-6-11-20-16-24-22-13-7-8-14-23(22)27(28)31-26(24)17-25(20)30-18-19-10-9-12-21(15-19)29-2/h9-10,12,15-17H,3-8,11,13-14,18H2,1-2H3	C27H32O4	420.541	4	0	44.76	4	9	1	-1.6983	7.35686000000001	3.99	7.67	65.7817	128.184	3.3693	418.391445991847
Cond-006531	NPD6570	NPD6570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.5361821798	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2c3c(CCCC3)c(=O)oc2c1C	InChI=1S/C30H29NO6S/c1-19-12-14-22(15-13-19)38(34,35)31-26(18-21-8-4-3-5-9-21)30(33)36-27-17-16-24-23-10-6-7-11-25(23)29(32)37-28(24)20(27)2/h3-5,8-9,12-17,26,31H,6-7,10-11,18H2,1-2H3	C30H29NO6S	531.619	7	1	107.15	5	8	1	-0.304000000000001	6.10580000000001	3.88	8.272	66.3498	143.3427	3.8921	483.563344032336
Cond-006532	NPD6571	NPD6571	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.2405286142	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OC(C)(C)C)ccc12	InChI=1S/C24H25NO7/c1-14-19(30-21(27)13-25-23(28)32-24(2,3)4)11-10-17-18(12-20(26)31-22(14)17)15-6-8-16(29-5)9-7-15/h6-12H,13H2,1-5H3,(H,25,28)	C24H25NO7	439.458	8	1	100.16	3	9	0	1.3213	4.61149000000001	3.22	4.758	67.28	122.2307	3.2451	410.954473723297
Cond-006533	NPD6572	NPD6572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7520406064	COc1cc2c(cc1)c1ccc(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1oc2=O	InChI=1S/C24H27NO7/c1-13(2)20(25-23(28)32-24(3,4)5)22(27)30-15-8-10-17-16-9-7-14(29-6)11-18(16)21(26)31-19(17)12-15/h7-13,20H,1-6H3,(H,25,28)/t20-/m1/s1	C24H27NO7	441.474	8	1	100.16	3	9	1	1.1314	4.49668000000001	3.22	5.011	65.7831	122.8182	3.2881	413.590932424097
Cond-006534	NPD6573	NPD6573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.8804673389	COC(=O)[C@@H](C)NC(=O)NCCc1cc(OC)c(OC)cc1	InChI=1S/C15H22N2O5/c1-10(14(18)22-4)17-15(19)16-8-7-11-5-6-12(20-2)13(9-11)21-3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19)/t10-/m1/s1	C15H22N2O5	310.346	7	2	85.89	1	10	0	-0.5587	0.704990000000001	2.34	1.324	54.9481	84.1164	2.3916	297.50212980314
Cond-006535	NPD6574	NPD6574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3089146489	O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccnc1	InChI=1S/C16H15N3O2/c20-15-14(9-12-5-2-1-3-6-12)18-16(21)19(15)11-13-7-4-8-17-10-13/h1-8,10,14H,9,11H2,(H,18,21)/t14-/m0/s1	C16H15N3O2	281.309	5	1	62.3	3	4	0	-0.8343	1.00319	2.67	3.923	27.7845	79.3507	2.11	255.901901031489
Cond-006536	NPD6576	NPD6576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.7070175835	COc1cc(OC)c(NC(=O)CCc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1Cl	InChI=1S/C24H22ClNO6/c1-12-11-31-19-9-20-16(7-15(12)19)13(2)14(24(28)32-20)5-6-23(27)26-18-8-17(25)21(29-3)10-22(18)30-4/h7-11H,5-6H2,1-4H3,(H,26,27)	C24H22ClNO6	455.888	7	1	87	4	7	0	1.2185	6.39488	3.22	3.189	63.8967	124.9877	3.2002	394.118856092369
Cond-006537	NPD6577	NPD6577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2925309798	CSCC[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C28H36N4O4S2/c1-20-7-9-23(10-8-20)38(35,36)32-16-12-21(13-17-32)27(33)31-26(14-18-37-2)28(34)29-15-11-22-19-30-25-6-4-3-5-24(22)25/h3-10,19,21,26,30H,11-18H2,1-2H3,(H,29,34)(H,31,33)/t26-/m0/s1	C28H36N4O4S2	556.74	8	3	145.05	4	13	1	-2.1554	3.86449000000001	3.44	4.705	87.2967	151.9194	4.1934	503.156060864781
Cond-006538	NPD6578	NPD6578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.6843103176	CC(C)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1	InChI=1S/C27H39FN4O5/c1-17(2)22(24(34)29-20-10-8-19(28)9-11-20)30-23(33)18-12-15-31(16-13-18)25(35)21-7-6-14-32(21)26(36)37-27(3,4)5/h8-11,17-18,21-22H,6-7,12-16H2,1-5H3,(H,29,34)(H,30,33)/t21-,22+/m0/s1	C27H39FN4O5	518.621	9	2	108.05	3	12	1	-1.4783	3.74118	3.33	3.596	101.8083	140.1614	3.9965	503.129189776982
Cond-006539	NPD6579	NPD6579	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8274157506	CSCCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C)C(=O)O	InChI=1S/C30H41NO9S/c1-28-11-8-18(32)14-17(28)4-5-19-20-9-12-30(39,29(20,2)15-22(33)26(19)28)23(34)16-40-25(36)7-6-24(35)31-21(27(37)38)10-13-41-3/h8,11,14,19-22,26,33,39H,4-7,9-10,12-13,15-16H2,1-3H3,(H,31,35)(H,37,38)/t19?,20?,21?,22?,26?,28-,29-,30-/m0/s1	C30H41NO9S	591.713	10	4	192.6	4	13	1	-1.0341	2.29747	3.55	1.371	149.1187	153.4241	4.3918	568.172776338819
Cond-006540	NPD658	NPD658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.016625586	COc1ccc(COc2c(Cl)cc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C23H17ClO4/c1-26-17-9-7-15(8-10-17)14-27-22-13-21-19(11-20(22)24)18(12-23(25)28-21)16-5-3-2-4-6-16/h2-13H,14H2,1H3	C23H17ClO4	392.832	4	0	44.76	4	5	1	0.6244	5.49077	3.44	7.208	34.5778	111.42	2.7991	345.609199156413
Cond-006541	NPD6580	NPD6580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2058099903	C[C@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NC(CC(=O)O)C5CCOC(C)(C)C5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C32H50N2O6/c1-29(2)18-20(11-15-39-29)26(17-28(36)37)33-27(35)19-40-34-22-8-12-30(3)21(16-22)6-7-23-24(30)9-13-31(4)25(23)10-14-32(31,5)38/h16,20,23-26,38H,6-15,17-19H2,1-5H3,(H,33,35)(H,36,37)/b34-22-/t20?,23?,24?,25?,26?,30-,31-,32-/m0/s1	C32H50N2O6	558.749	8	3	117.45	5	8	1	-0.157899999999997	5.54727000000001	4.1	5.064	148.8411	157.7833	4.4542	564.434719041035
Cond-006542	NPD6581	NPD6581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.5953772882	[C@@H]12CCC3=C/C(=N/OCC(=O)NCc4ccncc4)/CC[C@]3(C)C1CC[C@@]1(C)C2CC[C@]1(C)O	InChI=1S/C28H39N3O3/c1-26-11-6-21(31-34-18-25(32)30-17-19-9-14-29-15-10-19)16-20(26)4-5-22-23(26)7-12-27(2)24(22)8-13-28(27,3)33/h9-10,14-16,22-24,33H,4-8,11-13,17-18H2,1-3H3,(H,30,32)/b31-21+/t22-,23?,24?,26+,27+,28+/m1/s1	C28H39N3O3	465.628	6	2	83.81	5	6	0	0.189199999999998	4.75447000000001	3.88	4.941	107.7078	136.1725	3.7283	463.703943242453
Cond-006543	NPD6582	NPD6582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0845992371	OC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ncccc1C(=O)N[C@H](CO)Cc1ccccc1	InChI=1S/C27H30N4O5/c32-17-21(14-19-8-3-1-4-9-19)30-24(34)16-29-27(36)25-23(12-7-13-28-25)26(35)31-22(18-33)15-20-10-5-2-6-11-20/h1-13,21-22,32-33H,14-18H2,(H,29,36)(H,30,34)(H,31,35)/t21-,22-/m0/s1	C27H30N4O5	490.551	9	5	140.65	3	15	2	-2.9796	0.832990000000002	3.44	5.046	57.9667	137.2402	3.76380000000001	462.079337422675
Cond-006544	NPD6583	NPD6583	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.0298399657	[C@@H]1(OC(=O)CCC(=O)NCCc2cnc[nH]2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C24H35N3O7/c1-14-4-5-18-15(2)21(31-22-24(18)17(14)8-10-23(3,32-22)33-34-24)30-20(29)7-6-19(28)26-11-9-16-12-25-13-27-16/h12-15,17-18,21-22H,4-11H2,1-3H3,(H,25,27)(H,26,28)/t14-,15-,17+,18+,21-,22-,23+,24?/m1/s1	C24H35N3O7	477.551	10	2	121	4	9	0	-0.6441	2.35179	3	2.828	92.7941	121.1307	3.4855	434.953828942831
Cond-006545	NPD6584	NPD6584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8878856962	CN1CC2(Cc3c1ccc(C)c3)C(=O)NC(=O)N(CC=C)C2=O	InChI=1S/C17H19N3O3/c1-4-7-20-15(22)17(14(21)18-16(20)23)9-12-8-11(2)5-6-13(12)19(3)10-17/h4-6,8H,1,7,9-10H2,2-3H3,(H,18,21,23)	C17H19N3O3	313.351	6	1	69.72	3	2	0	0.6999	0.4819	2.67	1.762	60.7155	87.5217	2.3526	295.524571058718
Cond-006546	NPD6585	NPD6585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.525923752	CCOc1c(cccc1)C1C2CCCCC2(O)CCN1CC(=O)N1CCCCC1	InChI=1S/C24H36N2O3/c1-2-29-21-12-5-4-10-19(21)23-20-11-6-7-13-24(20,28)14-17-26(23)18-22(27)25-15-8-3-9-16-25/h4-5,10,12,20,23,28H,2-3,6-9,11,13-18H2,1H3	C24H36N2O3	400.554	5	1	53.01	4	6	0	-2.9085	4.21419000000001	3.55	3.878	78.0892	118.6728	3.2595	401.152620633219
Cond-006547	NPD6586	NPD6586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.596776742	CC(C)(C)OC(=O)NCCCCCC(=O)Oc1ccc2ccc(=O)oc2c1	InChI=1S/C20H25NO6/c1-20(2,3)27-19(24)21-12-6-4-5-7-17(22)25-15-10-8-14-9-11-18(23)26-16(14)13-15/h8-11,13H,4-7,12H2,1-3H3,(H,21,24)	C20H25NO6	375.416	7	1	90.93	2	11	1	0.310899999999999	4.16127000000001	2.89	4.147	69.1164	103.6927	2.8604	364.146143322469
Cond-006548	NPD6588	NPD6588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.4492698011	CC1CCC[NH+](Cc2c([O-])c(C)c3oc(=O)cc(c4cc5c(oc4=O)cccc5)c3c2)C1	InChI=1S/C26H25NO5/c1-15-6-5-9-27(13-15)14-18-11-20-19(12-23(28)32-25(20)16(2)24(18)29)21-10-17-7-3-4-8-22(17)31-26(21)30/h3-4,7-8,10-12,15,29H,5-6,9,13-14H2,1-2H3	C26H25NO5	431.48	6	1	80.1	5	3	0	-1.2047	3.26278000000001	3.66	4.355	66.2427	121.9257	3.1923	403.253072172308
Cond-006549	NPD6589	NPD6589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4495858068	Cc1cc(=O)oc2cc(C)c(C[NH+]3CCCC3)c([O-])c12	InChI=1S/C16H19NO3/c1-10-7-13-15(11(2)8-14(18)20-13)16(19)12(10)9-17-5-3-4-6-17/h7-8,19H,3-6,9H2,1-2H3	C16H19NO3	273.327	4	1	53.8	3	2	0	-1.4208	1.82669	2.78	1.806	46.2791	79.4437	2.0981	261.507983418117
Cond-006550	NPD659	NPD659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1759362392	CCCCc1cc(=O)oc2c(C)c(OCc3ccccc3OC)ccc12	InChI=1S/C22H24O4/c1-4-5-8-16-13-21(23)26-22-15(2)19(12-11-18(16)22)25-14-17-9-6-7-10-20(17)24-3/h6-7,9-13H,4-5,8,14H2,1-3H3	C22H24O4	352.424	4	0	44.76	3	7	1	0.0597999999999994	6.11829000000001	3.44	5.869	51.0516	108.685	2.7734	344.267981563313
Cond-006551	NPD6590	NPD6590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4832404126	CN1CC[NH+](Cc2c(C)cc3oc(=O)cc(C)c3c2[O-])CC1	InChI=1S/C17H22N2O3/c1-11-8-14-16(12(2)9-15(20)22-14)17(21)13(11)10-19-6-4-18(3)5-7-19/h8-9,21H,4-7,10H2,1-3H3	C17H22N2O3	302.368	5	1	57.04	3	2	0	-0.706099999999998	0.978290000000001	2.78	0.943	58.475	87.7067	2.3388	289.800728252151
Cond-006552	NPD6591	NPD6591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2914475318	CCC1CCCC[NH+]1Cc1c(C)cc2oc(=O)cc(C)c2c1[O-]	InChI=1S/C19H25NO3/c1-4-14-7-5-6-8-20(14)11-15-12(2)9-16-18(19(15)22)13(3)10-17(21)23-16/h9-10,14,22H,4-8,11H2,1-3H3	C19H25NO3	315.407	4	1	53.8	3	3	0	-2.0075	2.99539	3.11	2.982	56.6867	93.2727000000001	2.5208	313.395937295718
Cond-006553	NPD6592	NPD6592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1155226508	Cc1cc(=O)oc2cc(C)c(C[NH+]3CCCCCC3)c([O-])c12	InChI=1S/C18H23NO3/c1-12-9-15-17(13(2)10-16(20)22-15)18(21)14(12)11-19-7-5-3-4-6-8-19/h9-10,21H,3-8,11H2,1-2H3	C18H23NO3	301.38	4	1	53.8	3	2	0	-1.9968	2.60689	3	2.522	52.1023	88.6777	2.3799	296.099952669851
Cond-006554	NPD6593	NPD6593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4728347967	C[NH+](Cc1ccccc1)Cc1c(C)cc2oc(=O)cc(C)c2c1[O-]	InChI=1S/C20H21NO3/c1-13-9-17-19(14(2)10-18(22)24-17)20(23)16(13)12-21(3)11-15-7-5-4-6-8-15/h4-10,23H,11-12H2,1-3H3	C20H21NO3	323.386	4	1	53.8	3	4	0	-0.7541	2.52339	3.22	4.208	41.4404	95.7897	2.5327	311.882545819185
Cond-006555	NPD6594	NPD6594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9012933661	CC1CCC[NH+](Cc2c(C)cc3oc(=O)cc(C)c3c2[O-])C1	InChI=1S/C18H23NO3/c1-11-5-4-6-19(9-11)10-14-12(2)7-15-17(18(14)21)13(3)8-16(20)22-15/h7-8,11,21H,4-6,9-10H2,1-3H3	C18H23NO3	301.38	4	1	53.8	3	2	0	-0.7438	2.46279	3	2.461	56.3546	88.6077000000001	2.3799	296.099952669851
Cond-006556	NPD6595	NPD6595	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6241338058	COC(=O)COc1cc(O)c2c(=O)c3c(oc2c1)cccc3	InChI=1S/C16H12O6/c1-20-14(18)8-21-9-6-11(17)15-13(7-9)22-12-5-3-2-4-10(12)16(15)19/h2-7,17H,8H2,1H3	C16H12O6	300.263	6	1	82.06	3	4	0	-1.2229	3.38597	2.56	2.01	27.6992	83.2895	2.0454	258.072527209234
Cond-006557	NPD6596	NPD6596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.494187752	OC(=O)COc1cc(O)c2c(=O)c3c(oc2c1)cccc3	InChI=1S/C15H10O6/c16-10-5-8(20-7-13(17)18)6-12-14(10)15(19)9-3-1-2-4-11(9)21-12/h1-6,16H,7H2,(H,17,18)	C15H10O6	286.236	6	2	93.06	3	3	0	-1.4739	3.29757	2.45	1.689	22.9301	78.9093	1.9045	240.776542583367
Cond-006558	NPD6597	NPD6597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6709252195	Cc1cc(OC(=O)[C@@H](CSCc2ccccc2)NC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1	InChI=1S/C26H29NO6S/c1-16-11-20-23(17(2)13-22(28)31-20)21(12-16)32-24(29)19(27-25(30)33-26(3,4)5)15-34-14-18-9-7-6-8-10-18/h6-13,19H,14-15H2,1-5H3,(H,27,30)/t19-/m1/s1	C26H29NO6S	483.577	7	1	116.23	3	11	2	2.6736	4.98149000000001	3.44	7.282	81.445	134.2507	3.6317	455.265240332069
Cond-006559	NPD6598	NPD6598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.3746021714	COc1c(OC)cc(CCNC(=O)N[C@@H](C)C(=O)O)cc1	InChI=1S/C14H20N2O5/c1-9(13(17)18)16-14(19)15-7-6-10-4-5-11(20-2)12(8-10)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/t9-/m0/s1	C14H20N2O5	296.319	7	3	96.89	1	9	0	-0.8097	1.25249	2.23	1.003	50.179	80.1252	2.2507	280.206145177273
Cond-006560	NPD66	NPD66	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.5290724902	CC1CCc2c(c3c1cc(C)o3)c1c(o2)c(Br)cc(Br)c1	InChI=1S/C17H14Br2O2/c1-8-3-4-14-15(17-11(8)5-9(2)20-17)12-6-10(18)7-13(19)16(12)21-14/h5-8H,3-4H2,1-2H3	C17H14Br2O2	410.1	2	0	26.28	4	0	1	2.5535	6.1961	2.89	5.506	43.6078	94.902	2.2789	260.79130168879
Cond-006561	NPD660	NPD660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1691352244	CCC1(C)CC(CCNCc2c(O)cccc2)(CCO1)c1c(OC)cccc1	InChI=1S/C24H33NO3/c1-4-23(2)18-24(14-16-28-23,20-10-6-8-12-22(20)27-3)13-15-25-17-19-9-5-7-11-21(19)26/h5-12,25-26H,4,13-18H2,1-3H3	C24H33NO3	383.524	4	2	50.72	3	8	1	-0.671299999999999	4.88340000000001	3.66	5.931	62.0606	114.9137	3.1823	386.339401724253
Cond-006562	NPD6600	NPD6600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.2254700585	COc1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1	InChI=1S/C19H22N2O4/c1-25-16-9-7-14(8-10-16)11-12-20-19(24)21-17(18(22)23)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,22,23)(H2,20,21,24)/t17-/m0/s1	C19H22N2O4	342.389	6	3	87.66	2	10	0	-0.746800000000001	2.46669	2.89	4.712	41.8299	98.0452000000001	2.6589	326.730006802846
Cond-006563	NPD6601	NPD6601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5240051464	COC(=O)[C@@H](CCSC)NC(=O)NCCc1ccccc1	InChI=1S/C15H22N2O3S/c1-20-14(18)13(9-11-21-2)17-15(19)16-10-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1	C15H22N2O3S	310.412	5	2	92.73	1	11	1	-0.0898999999999976	1.42099	2.45	4.238	55.5318	88.3374	2.4377	298.430700459617
Cond-006564	NPD6602	NPD6602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2936369998	COC(=O)[C@@H](CCSC)NC(=O)NCc1c(OC)cccc1	InChI=1S/C15H22N2O4S/c1-20-13-7-5-4-6-11(13)10-16-15(19)17-12(8-9-22-3)14(18)21-2/h4-7,12H,8-10H2,1-3H3,(H2,16,17,19)/t12-/m1/s1	C15H22N2O4S	326.411	6	2	101.96	1	11	1	-0.397299999999998	1.60309	2.34	2.592	58.3958	91.5934	2.4964	307.220927160179
Cond-006565	NPD6603	NPD6603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.3124844819	[C@H]1(Cc2ccccc2CN1C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)O	InChI=1S/C16H20N2O5/c1-9(2)13(15(21)22)17-16(23)18-8-11-6-4-3-5-10(11)7-12(18)14(19)20/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,23)(H,19,20)(H,21,22)/t12-,13-/m0/s1	C16H20N2O5	320.34	7	3	106.94	2	6	0	-0.7746	1.21109	2.45	2.285	54.8722	84.3933000000001	2.3809	299.805197027407
Cond-006566	NPD6604	NPD6604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.4791097668	CC(C)[C@@H]1NC(=O)N(CCCc2ccccc2)C1=O	InChI=1S/C15H20N2O2/c1-11(2)13-14(18)17(15(19)16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,16,19)/t13-/m0/s1	C15H20N2O2	260.332	4	1	49.41	2	5	0	-0.549400000000001	1.79359	2.67	4.691	44.9639	76.4877	2.1069	258.774991000656
Cond-006567	NPD6605	NPD6605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.5652890323	COc1c2c(oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c2C)cc(C)c1	InChI=1S/C24H25NO6S/c1-14-9-19(30-3)22-15(2)17(24(29)31-20(22)10-14)11-21(26)25-18(23(27)28)13-32-12-16-7-5-4-6-8-16/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H25NO6S	455.523	7	2	127.23	3	10	0	0.834600000000002	3.52109	3.22	4.972	72.2408	125.1365	3.3499	420.673271080335
Cond-006568	NPD6606	NPD6606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.0479200054	COc1cc(OC)c2c(oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c2C)c1	InChI=1S/C24H25NO7S/c1-14-17(24(29)32-20-10-16(30-2)9-19(31-3)22(14)20)11-21(26)25-18(23(27)28)13-33-12-15-7-5-4-6-8-15/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H25NO7S	471.523	8	2	136.46	3	11	1	0.1408	3.50167	3.11	4.205	74.0545	128.0485	3.4086	429.463497780897
Cond-006569	NPD6607	NPD6607	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.6974471255	COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1OC	InChI=1S/C22H21NO7/c1-12-14-9-10-16(28-2)20(29-3)19(14)30-22(27)15(12)11-17(24)23-18(21(25)26)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3,(H,23,24)(H,25,26)/t18-/m1/s1	C22H21NO7	411.405	8	2	111.16	3	8	0	-0.473000000000001	2.93937	3	3.234	56.8366	110.8175	2.9633	376.362504471563
Cond-006570	NPD6608	NPD6608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.0834932172	COc1ccc2c(C)c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2c1OC	InChI=1S/C20H25N3O8/c1-10-11-6-7-14(29-2)17(30-3)16(11)31-19(27)12(10)9-15(24)23-13(18(25)26)5-4-8-22-20(21)28/h6-7,13H,4-5,8-9H2,1-3H3,(H,23,24)(H,25,26)(H3,21,22,28)/t13-/m0/s1	C20H25N3O8	435.428	11	5	166.28	2	12	1	-1.6651	1.35627	2.45	-0.336	77.3146	113.0206	3.1344	401.083658439124
Cond-006571	NPD6609	NPD6609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9836354197	COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c(=O)oc2c1OC	InChI=1S/C22H27NO7/c1-12-15-8-9-17(28-2)20(29-3)19(15)30-22(27)16(12)10-18(24)23-11-13-4-6-14(7-5-13)21(25)26/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)/t13-,14-	C22H27NO7	417.452	8	2	111.16	3	8	0	0.267300000000002	3.34557	3	1.705	82.4576	112.7275	3.0923	395.171880573963
Cond-006572	NPD661	NPD661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	57.7255811706	Cc1c(Cc2ccccc2)c(=O)oc2cc(OC3CCCCC3=O)ccc12	InChI=1S/C23H22O4/c1-15-18-12-11-17(26-21-10-6-5-9-20(21)24)14-22(18)27-23(25)19(15)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14,21H,5-6,9-10,13H2,1H3	C23H22O4	362.418	4	0	52.6	4	4	1	-0.320500000000001	5.06427	3.55	6.109	47.8451	106.95	2.7627	346.57104878758
Cond-006573	NPD6610	NPD6610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.780895199	CCOc1ccc([NH+]Cc2cc(=O)oc3cc(c([O-])cc23)c2ccccc2)cc1	InChI=1S/C24H21NO4/c1-2-28-19-10-8-18(9-11-19)25-15-17-12-24(27)29-23-14-20(22(26)13-21(17)23)16-6-4-3-5-7-16/h3-14,25-26H,2,15H2,1H3	C24H20NO4	386.42	5	2	75.2	4	6	1	-1.9534	5.65506	3.55	6.111	31.6369	117.3684	2.9174	358.690876220013
Cond-006574	NPD6612	NPD6612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2309775862	COC(=O)c1c([NH+]Cc2cc(=O)oc3cc(C)c([O-])cc23)cc(OC)c(OC)c1	InChI=1S/C21H21NO7/c1-11-5-17-13(7-16(11)23)12(6-20(24)29-17)10-22-15-9-19(27-3)18(26-2)8-14(15)21(25)28-4/h5-9,22-23H,10H2,1-4H3	C21H20NO7	398.386	8	2	110.73	3	7	0	-1.6024	4.69778	2.89	1.895	52.1494	111.4719	2.8654	361.702978546496
Cond-006575	NPD6613	NPD6613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7858384308	COC(=O)c1cc([NH+]Cc2cc(=O)oc3cc(C)c([O-])cc23)c(cc1)C(=O)OC	InChI=1S/C21H19NO7/c1-11-6-18-15(9-17(11)23)13(8-19(24)29-18)10-22-16-7-12(20(25)27-2)4-5-14(16)21(26)28-3/h4-9,22-23H,10H2,1-3H3	C21H18NO7	396.37	8	2	118.57	3	7	0	-1.4876	4.46718	2.89	2.341	49.5062	109.7074	2.8224	359.066519845696
Cond-006576	NPD6614	NPD6614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.8889465725	COC(=O)c1cc([NH+]Cc2cc(=O)oc3cc(c([O-])cc23)c2ccccc2)c(cc1)C(=O)OC	InChI=1S/C26H21NO7/c1-32-25(30)16-8-9-18(26(31)33-2)21(10-16)27-14-17-11-24(29)34-23-13-19(22(28)12-20(17)23)15-6-4-3-5-7-15/h3-13,27-28H,14H2,1-2H3	C26H20NO7	458.439	8	2	118.57	4	8	1	-2.1296	4.82956	3.44	5.248	44.0041	128.8784	3.2893	414.38060817183
Cond-006577	NPD6615	NPD6615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6818725594	CCOc1c([NH+]Cc2cc(=O)oc3cc(c([O-])cc23)c2ccccc2)cccc1	InChI=1S/C24H21NO4/c1-2-28-22-11-7-6-10-20(22)25-15-17-12-24(27)29-23-14-18(21(26)13-19(17)23)16-8-4-3-5-9-16/h3-14,25-26H,2,15H2,1H3	C24H20NO4	386.42	5	2	75.2	4	6	1	-1.9534	5.65506	3.55	6.111	31.6369	117.3684	2.9174	358.690876220013
Cond-006578	NPD6616	NPD6616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.7690901293	CC1(C)CC2(C)CC1CC2c1ccccc1O	InChI=1S/C16H22O/c1-15(2)10-16(3)9-11(15)8-13(16)12-6-4-5-7-14(12)17/h4-7,11,13,17H,8-10H2,1-3H3	C16H22O	230.345	1	1	20.23	3	1	1	1.1289	4.69259	3.11	6.427	45.1154	72.4960000000001	1.9669	238.203687210428
Cond-006579	NPD6617	NPD6617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.9991874139	COc1c(cccc1)C1(O)[C@@]2(C)CC[C@H](C2)C1(C)C	InChI=1S/C17H24O2/c1-15(2)12-9-10-16(3,11-12)17(15,18)13-7-5-6-8-14(13)19-4/h5-8,12,18H,9-11H2,1-4H3/t12-,16+,17?/m1/s1	C17H24O2	260.371	2	1	29.46	3	2	0	0.722499999999998	3.9434	3.11	4.348	50.8053	77.6688000000001	2.1665	264.289898536856
Cond-006580	NPD6618	NPD6618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.0304042616	COc1c2C(CC(=O)c3c(C)n(C)nc3C)N(C)CCc2cc2c1OCO2	InChI=1S/C20H25N3O4/c1-11-17(12(2)23(4)21-11)15(24)9-14-18-13(6-7-22(14)3)8-16-19(20(18)25-5)27-10-26-16/h8,14H,6-7,9-10H2,1-5H3	C20H25N3O4	371.43	7	0	65.82	4	4	0	0.743299999999997	3.15892	2.89	1.12	65.8994	105.566	2.7684	335.58275163688
Cond-006581	NPD6619	NPD6619	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3850077873	COc1c2C(CC(=O)CC(=O)c3c(C)n(C)nc3C)N(C)CCc2cc2c1OCO2	InChI=1S/C22H27N3O5/c1-12-19(13(2)25(4)23-12)17(27)10-15(26)9-16-20-14(6-7-24(16)3)8-18-21(22(20)28-5)30-11-29-18/h8,16H,6-7,9-11H2,1-5H3	C22H27N3O5	413.467	8	0	82.89	4	6	0	0.5143	3.11812	3	1.166	75.7946	115.19	3.0659	376.328488888375
Cond-006582	NPD662	NPD662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	19.2084223072	COc1cc2c(oc3c2cccc3)cc1NC1OC(=O)c2c1ccc(OC)c2OC	InChI=1S/C23H19NO6/c1-26-17-9-8-13-20(21(17)28-3)23(25)30-22(13)24-15-11-18-14(10-19(15)27-2)12-6-4-5-7-16(12)29-18/h4-11,22,24H,1-3H3	C23H19NO6	405.4	7	1	79.16	5	5	0	-0.6888	5.10108	3.22	4.442	36.3357	116.5127	2.8283	338.355344995269
Cond-006583	NPD6620	NPD6620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.7510326614	CC1C2CC(CC2c2cccc(C)c2O)C1(C)C	InChI=1S/C17H24O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4/h5-7,11-12,14-15,18H,8-9H2,1-4H3	C17H24O	244.372	1	1	20.23	3	1	1	0.7076	4.63122000000001	3.22	6.441	49.136	76.3320000000001	2.1078	255.499671836295
Cond-006584	NPD6621	NPD6621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.994808478	Cc1c(O)ccc(c1)C1CC2CCC1(C)C2(C)C	InChI=1S/C17H24O/c1-11-9-12(5-6-15(11)18)14-10-13-7-8-17(14,4)16(13,2)3/h5-6,9,13-14,18H,7-8,10H2,1-4H3	C17H24O	244.372	1	1	20.23	3	1	1	1.3115	4.77532000000001	3.22	6.75	50.5791	76.402	2.1078	255.499671836295
Cond-006585	NPD6622	NPD6622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.9029185382	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1cccs1)C2O	InChI=1S/C16H24N2OS/c1-3-15-8-17-10-16(4-2,14(15)19)11-18(9-15)13(17)12-6-5-7-20-12/h5-7,13-14,19H,3-4,8-11H2,1-2H3/t13?,14?,15-,16+	C16H24N2OS	292.44	3	1	54.95	1	3	0	0.159099999999999	1.7164	2.78	2.778	67.5203	77.7008000000001	2.2644	268.986231684362
Cond-006586	NPD6624	NPD6624	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1108728529	Cn1nc(nc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N(=O)=O	InChI=1S/C14H16N6O3/c1-17-14(15-13(16-17)20(22)23)18-6-9-5-10(8-18)11-3-2-4-12(21)19(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m1/s1	C14H16N6O3	316.315	9	0	97.4	4	2	0	0.0211000000000008	1.74444	2.01	0.129	67.3216	87.486	2.1637	266.906897805618
Cond-006587	NPD6625	NPD6625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.912240706	OC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2)CC1	InChI=1S/C13H22N2O3/c16-12(11-2-1-7-14-11)15-8-9-3-5-10(6-4-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)/t9-,10-,11-/m0/s1	C13H22N2O3	254.325	5	3	78.43	2	5	0	-1.4333	0.97949	2.34	0.469	60.7628	70.3612000000001	2.0128	251.782624551884
Cond-006588	NPD6626	NPD6626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5532808162	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C13H24N2O3S/c1-19-7-6-11(14)12(16)15-8-9-2-4-10(5-3-9)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,10-,11-/m0/s1	C13H24N2O3S	288.406	5	4	117.72	1	8	0	-0.7819	1.30789	2.23	0.967	72.2635	80.3109	2.2849	282.648107310284
Cond-006589	NPD6627	NPD6627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.6052411801	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C)C(=O)O	InChI=1S/C21H37N3O6S/c1-13(19(27)28)23-17(25)15-8-6-14(7-9-15)12-22-18(26)16(10-11-31-5)24-20(29)30-21(2,3)4/h13-16H,6-12H2,1-5H3,(H,22,26)(H,23,25)(H,24,29)(H,27,28)/t13-,14-,15-,16-/m0/s1	C21H37N3O6S	459.6	9	4	159.13	1	15	1	0.176999999999996	1.74269	2.67	2.412	112.9977	122.7089	3.602	453.110507225469
Cond-006590	NPD6628	NPD6628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7171523373	CCCc1cc(=O)oc2cc(OC(=O)C(Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12	InChI=1S/C28H26ClNO6S/c1-3-7-20-15-27(31)35-25-17-26(23(29)16-22(20)25)36-28(32)24(14-19-8-5-4-6-9-19)30-37(33,34)21-12-10-18(2)11-13-21/h4-6,8-13,15-17,24,30H,3,7,14H2,1-2H3	C28H26ClNO6S	540.027	7	1	107.15	4	10	1	0.1641	6.03158	3.55	8.52	65.73	139.8827	3.84130000000001	476.538901251836
Cond-006591	NPD6629	NPD6629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.3910118954	CCCCc1cc(=O)oc2c(C)c(OC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)ccc12	InChI=1S/C24H27NO6S/c1-5-6-7-18-14-22(26)31-23-16(3)21(13-12-20(18)23)30-24(27)17(4)25-32(28,29)19-10-8-15(2)9-11-19/h8-14,17,25H,5-7H2,1-4H3	C24H27NO6S	457.539	7	1	107.15	3	9	1	-0.237300000000001	5.12900000000001	3.22	5.84	69.5614	120.9847	3.3929	423.309729781136
Cond-006592	NPD663	NPD663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6640698655	CC[C@@]12CN3C[C@@](CC)(CN(C1)C3c1c(C)n(C)c3c1cccc3)C2=O	InChI=1S/C22H29N3O/c1-5-21-11-24-13-22(6-2,20(21)26)14-25(12-21)19(24)18-15(3)23(4)17-10-8-7-9-16(17)18/h7-10,19H,5-6,11-14H2,1-4H3/t19?,21-,22+	C22H29N3O	351.485	4	0	28.48	2	3	0	0.370399999999999	3.5096	3.44	3.04	73.4375	106.407	2.8085	334.08404078693
Cond-006593	NPD6630	NPD6630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.3466808117	CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c(C)c2C)c1	InChI=1S/C21H27NO6S/c1-12-13(2)18(23)27-17-11-14(7-8-15(12)17)26-19(24)16(9-10-29-6)22-20(25)28-21(3,4)5/h7-8,11,16H,9-10H2,1-6H3,(H,22,25)/t16-/m1/s1	C21H27NO6S	421.507	7	1	116.23	2	10	0	2.3874	4.04958000000001	2.89	4.655	84.1961	117.0517	3.1648	399.951152005936
Cond-006594	NPD6631	NPD6631	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8886982823	C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1c2c(oc(=O)c(Cc3ccccc3)c2C)cc(C)c1	InChI=1S/C26H29NO6/c1-15-12-20(31-23(28)17(3)27-25(30)33-26(4,5)6)22-16(2)19(24(29)32-21(22)13-15)14-18-10-8-7-9-11-18/h7-13,17H,14H2,1-6H3,(H,27,30)/t17-/m1/s1	C26H29NO6	451.512	7	1	90.93	3	9	1	2.4784	4.56720000000001	3.55	7.378	73.5818	127.8387	3.4682	436.756216274469
Cond-006595	NPD6632	NPD6632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5404148703	CCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c2c(oc(=O)c(Cc3ccccc3)c2C)cc(C)c1	InChI=1S/C30H31NO6S/c1-5-9-25(31-38(34,35)23-14-12-19(2)13-15-23)30(33)37-27-17-20(3)16-26-28(27)21(4)24(29(32)36-26)18-22-10-7-6-8-11-22/h6-8,10-17,25,31H,5,9,18H2,1-4H3	C30H31NO6S	533.635	7	1	107.15	4	10	1	0.658299999999999	5.79630000000001	3.88	8.928	67.7554	143.1297	4.0007	495.919802733136
Cond-006596	NPD6633	NPD6633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.5048190867	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(=O)C(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12	InChI=1S/C32H27NO7S/c1-20-9-15-25(16-10-20)41(36,37)33-30(23-7-5-4-6-8-23)32(35)39-28-18-17-26-27(19-29(34)40-31(26)21(28)2)22-11-13-24(38-3)14-12-22/h4-19,30,33H,1-3H3	C32H27NO7S	569.624	8	1	116.38	5	9	1	0.121899999999999	6.0074	3.99	8.392	54.3912	152.4987	4.10360000000001	508.13616388223
Cond-006597	NPD6634	NPD6634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.103198429	CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3c2cccc3)c1C	InChI=1S/C24H27NO6S/c1-14-19(11-10-16-15-8-6-7-9-17(15)21(26)30-20(14)16)29-22(27)18(12-13-32-5)25-23(28)31-24(2,3)4/h6-11,18H,12-13H2,1-5H3,(H,25,28)/t18-/m1/s1	C24H27NO6S	457.539	7	1	116.23	3	10	1	1.6688	4.66791000000001	3.22	6.516	70.8156	128.3332	3.3929	423.309729781136
Cond-006598	NPD6636	NPD6636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0506511974	COc1cc2c(cc1)c1ccc(OC(=O)CCNC(=O)OC(C)(C)C)cc1oc2=O	InChI=1S/C22H23NO7/c1-22(2,3)30-21(26)23-10-9-19(24)28-14-6-8-16-15-7-5-13(27-4)11-17(15)20(25)29-18(16)12-14/h5-8,11-12H,9-10H2,1-4H3,(H,23,26)	C22H23NO7	413.421	8	1	100.16	3	9	0	0.762	3.86218	3	3.988	57.4539	113.6762	3.0063	378.998963172363
Cond-006599	NPD6637	NPD6637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1628557885	Cc1coc2c3c(oc(=O)c(CC(=O)O)c3C)cc(C)c12	InChI=1S/C16H14O5/c1-7-4-11-14(15-13(7)8(2)6-20-15)9(3)10(5-12(17)18)16(19)21-11/h4,6H,5H2,1-3H3,(H,17,18)	C16H14O5	286.279	5	1	76.74	3	2	0	1.5524	3.39072	2.67	2.013	44.064	79.2798000000001	2.0297	251.918759209473
Cond-006600	NPD6638	NPD6638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9010225041	Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C28H34N4O4S/c1-20-8-10-23(11-9-20)37(35,36)31-17-13-21(14-18-31)28(34)32-16-4-7-26(32)27(33)29-15-12-22-19-30-25-6-3-2-5-24(22)25/h2-3,5-6,8-11,19,21,26,30H,4,7,12-18H2,1H3,(H,29,33)/t26-/m0/s1	C28H34N4O4S	522.659	8	2	110.96	5	9	0	-3.1363	3.61759000000001	3.55	3.959	76.7181	141.7247	3.9213	472.290578106381
Cond-006601	NPD6639	NPD6639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.0076969957	Cc1cc(O)c2c(oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c2C)c1	InChI=1S/C23H23NO6S/c1-13-8-18(25)21-14(2)16(23(29)30-19(21)9-13)10-20(26)24-17(22(27)28)12-31-11-15-6-4-3-5-7-15/h3-9,17,25H,10-12H2,1-2H3,(H,24,26)(H,27,28)/t17-/m0/s1	C23H23NO6S	441.497	7	3	138.23	3	9	0	0.4261	3.21809	3.11	4.453	67.4896	120.2493	3.209	403.377286454469
Cond-006602	NPD664	NPD664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.1310094476	CCOc1cc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	InChI=1S/C34H36Cl2N4O6/c1-4-45-29-14-21(9-11-28(29)46-19-22-8-10-25(35)26(36)13-22)15-34(31(42)37(2)33(44)38(3)32(34)43)20-39-16-23-12-24(18-39)27-6-5-7-30(41)40(27)17-23/h5-11,13-14,23-24H,4,12,15-20H2,1-3H3/t23-,24-/m0/s1	C34H36Cl2N4O6	667.579	10	0	99.7	6	9	0	0.218099999999997	4.53117000000001	3.88	3.146	127.1617	174.398	4.7278	596.194215942768
Cond-006603	NPD6640	NPD6640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.3381938018	CC(Oc1c(Cl)cc2c(oc(=O)cc2c2ccccc2)c1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C26H26ClNO6/c1-15(25(30)28-14-16-7-9-18(10-8-16)26(31)32)33-23-13-22-20(11-21(23)27)19(12-24(29)34-22)17-5-3-2-4-6-17/h2-6,11-13,15-16,18H,7-10,14H2,1H3,(H,28,30)(H,31,32)/t15?,16-,18-	C26H26ClNO6	483.941	7	2	101.93	4	8	1	0.2674	5.01717000000001	3.44	5.939	75.3759	131.0335	3.482	439.610825344102
Cond-006604	NPD6641	NPD6641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2687402659	CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(c4ccccc4)c([O-])cc23)CC1	InChI=1S/C24H25NO5/c1-2-29-24(28)17-8-10-25(11-9-17)15-18-12-23(27)30-22-14-19(21(26)13-20(18)22)16-6-4-3-5-7-16/h3-7,12-14,17,26H,2,8-11,15H2,1H3	C24H25NO5	407.459	6	1	80.1	4	6	0	-2.5879	2.18797	3.44	4.428	55.1787	114.9827	3.0621	383.654020322174
Cond-006605	NPD6642	NPD6642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1428797147	CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3cc(c4ccccc4)c([O-])cc23)CC1	InChI=1S/C23H24N2O5/c1-2-29-23(28)25-10-8-24(9-11-25)15-17-12-22(27)30-21-14-18(20(26)13-19(17)21)16-6-4-3-5-7-16/h3-7,12-14,26H,2,8-11,15H2,1H3	C23H24N2O5	408.447	7	1	83.34	4	6	0	-1.8369	1.68697	3.22	3.794	57.6594	114.2207	3.021	377.354795904474
Cond-006606	NPD6643	NPD6643	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.3302710877	COC(=O)C1(C)Cc2ccccc2C(=O)O1	InChI=1S/C12H12O4/c1-12(11(14)15-2)7-8-5-3-4-6-9(8)10(13)16-12/h3-6H,7H2,1-2H3	C12H12O4	220.221	4	0	52.6	2	2	0	0.395899999999999	1.29959	2.34	2.74	31.0702	59.004	1.602	202.473970107845
Cond-006607	NPD6644	NPD6644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.2484707582	COc1c2OCOc2cc(CCN(C)C(=O)C)c1/C=C/C(=O)c1c(O)n(C)c(=O)n(C)c1=O	InChI=1S/C22H25N3O8/c1-12(26)23(2)9-8-13-10-16-19(33-11-32-16)18(31-5)14(13)6-7-15(27)17-20(28)24(3)22(30)25(4)21(17)29/h6-7,10,28H,8-9,11H2,1-5H3/b7-6+	C22H25N3O8	459.449	11	1	125.92	3	8	0	-0.894000000000001	1.79856	2.67	0.681	93.7986	119.7288	3.2646	420.682710289258
Cond-006608	NPD6645	NPD6645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6479470916	COc1c2oc(=O)c(cc2c(OC)cc1)C(=O)C	InChI=1S/C13H12O5/c1-7(14)8-6-9-10(16-2)4-5-11(17-3)12(9)18-13(8)15/h4-6H,1-3H3	C13H12O5	248.231	5	0	61.83	2	3	0	-0.176400000000001	2.14717	2.34	1.402	40.7922	68.081	1.7586	225.923722733472
Cond-006609	NPD6646	NPD6646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5059476785	[C@@H]12CCCC[C@]1(O)CCN(CC(=O)N1CCCC1)[C@H]2c1ccc(cc1)N(CC)CC	InChI=1S/C25H39N3O2/c1-3-26(4-2)21-12-10-20(11-13-21)24-22-9-5-6-14-25(22,30)15-18-28(24)19-23(29)27-16-7-8-17-27/h10-13,22,24,30H,3-9,14-19H2,1-2H3/t22-,24-,25-/m0/s1	C25H39N3O2	413.596	5	1	47.02	4	7	0	-2.1005	3.71609000000001	3.66	3.775	86.447	124.1208	3.4415	420.655138766692
Cond-006610	NPD6648	NPD6648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.2339796402	CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@]12C	InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17?,18?,19-,20-/m0/s1	C20H24O3	312.403	3	0	43.37	4	2	0	0.9009	3.91256	3.33	2.765	89.044	90.032	2.4533	318.238703012618
Cond-006611	NPD6649	NPD6649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8131954947	COc1c(OC)cc2CN(Cc3ncc(o3)c3ccccc3)CCc2c1	InChI=1S/C21H22N2O3/c1-24-18-10-16-8-9-23(13-17(16)11-19(18)25-2)14-21-22-12-20(26-21)15-6-4-3-5-7-15/h3-7,10-12H,8-9,13-14H2,1-2H3	C21H22N2O3	350.411	5	0	47.73	4	5	0	0.0458999999999995	3.7464	3.22	4.255	37.7371	99.9820000000001	2.6648	316.918831952419
Cond-006612	NPD665	NPD665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6995770143	COc1cc(COc2ccc3c(oc(=O)c4c3cccc4)c2)cc(OC)c1OC	InChI=1S/C23H20O6/c1-25-20-10-14(11-21(26-2)22(20)27-3)13-28-15-8-9-17-16-6-4-5-7-18(16)23(24)29-19(17)12-15/h4-12H,13H2,1-3H3	C23H20O6	392.401	6	0	63.22	4	6	0	-0.389	4.66908	3.33	4.986	34.5704	112.477	2.8371	350.615043487902
Cond-006613	NPD6650	NPD6650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1675055865	Cc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C28H24N2O6S/c1-17-7-10-21(11-8-17)37(33,34)30-25(14-19-16-29-24-6-4-3-5-23(19)24)28(32)35-20-9-12-22-18(2)13-27(31)36-26(22)15-20/h3-13,15-16,25,29-30H,14H2,1-2H3	C28H24N2O6S	516.565	8	2	122.94	5	8	1	-0.184300000000001	5.00257	3.55	5.99	55.2408	138.9687	3.66710000000001	446.431676287969
Cond-006614	NPD6651	NPD6651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.5543191206	COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC	InChI=1S/C21H24N2O7/c1-27-17-11-14(19(24)29-3)15(12-18(17)28-2)22-21(26)23-16(20(25)30-4)10-13-8-6-5-7-9-13/h5-9,11-12,16H,10H2,1-4H3,(H2,22,23,26)/t16-/m0/s1	C21H24N2O7	416.424	9	2	112.19	2	12	1	-0.8036	2.36459	2.78	4.275	56.7392	112.0114	3.0738	385.056197455463
Cond-006615	NPD6652	NPD6652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.6252172539	COc1c(OC)cc(CCN2COc3c(C2)cc2c4c(CCC4)c(=O)oc2c3C)cc1	InChI=1S/C25H27NO5/c1-15-23-17(12-20-18-5-4-6-19(18)25(27)31-24(15)20)13-26(14-30-23)10-9-16-7-8-21(28-2)22(11-16)29-3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3	C25H27NO5	421.486	6	0	57.23	5	5	0	0.5041	4.75089000000001	3.55	3.639	69.5734	121.456	3.1374	391.230004948041
Cond-006616	NPD6653	NPD6653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.8096065729	Cc1c(CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2c(C)c(O)ccc12	InChI=1S/C20H25N3O7/c1-10-12-5-7-15(24)11(2)17(12)30-19(28)13(10)6-8-16(25)23-14(18(26)27)4-3-9-22-20(21)29/h5,7,14,24H,3-4,6,8-9H2,1-2H3,(H,23,25)(H,26,27)(H3,21,22,29)/t14-/m0/s1	C20H25N3O7	419.428	10	6	168.05	2	11	1	-1.3174	1.88809	2.56	-0.13	75.6151	112.5236	3.0757	392.293431738563
Cond-006617	NPD6654	NPD6654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.8550211047	Cc1c2oc(=O)c3c(CCC3)c2cc2c1OCN(Cc1cc3c(OCO3)cc1)C2	InChI=1S/C23H21NO5/c1-13-21-15(8-18-16-3-2-4-17(16)23(25)29-22(13)18)10-24(11-26-21)9-14-5-6-19-20(7-14)28-12-27-19/h5-8H,2-4,9-12H2,1H3	C23H21NO5	391.417	6	0	57.23	6	2	0	0.049400000000001	4.58118	3.33	3.208	57.9621	110.913	2.747	344.281576995507
Cond-006618	NPD6655	NPD6655	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.2555808862	CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1	InChI=1S/C19H23NO6S/c1-19(2,3)26-18(23)20-14(9-10-27-4)17(22)24-13-7-5-12-6-8-16(21)25-15(12)11-13/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)/t14-/m1/s1	C19H23NO6S	393.454	7	1	116.23	2	10	0	1.3879	3.72257	2.67	4.412	75.557	107.1447	2.883	365.359182754202
Cond-006619	NPD6656	NPD6656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.8394239668	CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1	InChI=1S/C21H27NO6/c1-13(2)6-10-16(22-20(25)28-21(3,4)5)19(24)26-15-9-7-14-8-11-18(23)27-17(14)12-15/h7-9,11-13,16H,6,10H2,1-5H3,(H,22,25)/t16-/m1/s1	C21H27NO6	389.442	7	1	90.93	2	10	1	1.5119	4.40567000000001	3	5.445	76.0742	108.2177	3.0013	381.442127948335
Cond-006620	NPD6657	NPD6657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.5986727761	CCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1	InChI=1S/C18H21NO6/c1-5-13(19-17(22)25-18(2,3)4)16(21)23-12-8-6-11-7-9-15(20)24-14(11)10-12/h6-10,13H,5H2,1-4H3,(H,19,22)	C18H21NO6	347.362	7	1	90.93	2	8	0	0.7347	3.37947	2.67	3.799	63.2533	94.4367	2.5786	329.554174070735
Cond-006621	NPD6658	NPD6658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2241383202	Cc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc1ccc2c(oc(=O)c3c2cccc3)c1	InChI=1S/C31H24N2O6S/c1-19-10-13-22(14-11-19)40(36,37)33-28(16-20-18-32-27-9-5-4-6-23(20)27)31(35)38-21-12-15-25-24-7-2-3-8-26(24)30(34)39-29(25)17-21/h2-15,17-18,28,32-33H,16H2,1H3	C31H24N2O6S	552.597	8	2	122.94	6	8	1	-0.9918	5.84548000000001	3.88	7.92	40.7153	151.8017	3.89520000000001	469.790254063169
Cond-006622	NPD666	NPD666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.7460749424	COc1ccc(/N=c\2/cc(oc3ccc(O)cc23)c2ccc3OCOc3c2)c(OC)c1	InChI=1S/C24H19NO6/c1-27-16-5-6-18(23(11-16)28-2)25-19-12-22(31-20-8-4-15(26)10-17(19)20)14-3-7-21-24(9-14)30-13-29-21/h3-12,26H,13H2,1-2H3/b25-19-	C24H19NO6	417.411	7	1	78.74	5	4	0	-1.212	5.77955	3.33	4.353	42.4617	121.314	2.9262	363.914870920335
Cond-006623	NPD6660	NPD6660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6665237117	CSCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2c(OCO2)cc1	InChI=1S/C20H29N3O4S/c1-28-9-8-16(21)20(25)22-11-13-2-4-14(5-3-13)19(24)23-15-6-7-17-18(10-15)27-12-26-17/h6-7,10,13-14,16H,2-5,8-9,11-12,21H2,1H3,(H,22,25)(H,23,24)/t13-,14-,16-/m0/s1	C20H29N3O4S	407.527	7	4	127.98	3	10	0	-1.4796	3.69157	2.78	2.128	79.9578	116.1738	3.0835	379.98469309608
Cond-006624	NPD6661	NPD6661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.3756856195	COc1ccc2c(oc(=O)c(CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)c2C)c1	InChI=1S/C21H26N2O7/c1-11(2)19(20(26)27)23-18(25)10-22-17(24)8-7-15-12(3)14-6-5-13(29-4)9-16(14)30-21(15)28/h5-6,9,11,19H,7-8,10H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t19-/m0/s1	C21H26N2O7	418.44	9	3	131.03	2	11	1	-0.6225	2.06147	2.78	1.189	80.6575	112.1132	3.1168	398.592656156263
Cond-006625	NPD6662	NPD6662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.795386317	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)O)c(C)c3c2o1	InChI=1S/C17H16O5/c1-7-5-12-15(16-14(7)8(2)10(4)21-16)9(3)11(6-13(18)19)17(20)22-12/h5H,6H2,1-4H3,(H,18,19)	C17H16O5	300.306	5	1	76.74	3	2	0	1.9919	3.39954	2.78	2.51	49.7965	85.3488000000001	2.1706	269.21474383534
Cond-006626	NPD6663	NPD6663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.660203598	[C@@H]1(OC(=O)CCC(=O)NCc2cccs2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C24H33NO7S/c1-14-6-7-18-15(2)21(28-20(27)9-8-19(26)25-13-16-5-4-12-33-16)29-22-24(18)17(14)10-11-23(3,30-22)31-32-24/h4-5,12,14-15,17-18,21-22H,6-11,13H2,1-3H3,(H,25,26)/t14-,15-,17+,18+,21-,22-,23+,24?/m1/s1	C24H33NO7S	479.586	8	1	120.56	4	8	0	0.654899999999999	3.30239	3.11	4.313	94.376	117.6247	3.4494	431.469332584097
Cond-006627	NPD6664	NPD6664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.1365370291	[C@@H]1(OC(=O)CCC(=O)NCc2ccco2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C24OO3	InChI=1S/C24H33NO8/c1-14-6-7-18-15(2)21(29-20(27)9-8-19(26)25-13-16-5-4-12-28-16)30-22-24(18)17(14)10-11-23(3,31-22)32-33-24/h4-5,12,14-15,17-18,21-22H,6-11,13H2,1-3H3,(H,25,26)/t14-,15-,17+,18+,21-,22-,23+,24?/m1/s1	C24H33NO8	463.521	9	1	105.46	4	8	0	-0.0898000000000004	3.30239	3.11	3.597	88.2016	117.6247	3.3446	421.750535227058
Cond-006628	NPD6665	NPD6665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.1609146107	OC(=O)C(CS)NC(=O)CCc1c[nH]c2c1cccc2	InChI=1S/C14H16N2O3S/c17-13(16-12(8-20)14(18)19)6-5-9-7-15-11-4-2-1-3-10(9)11/h1-4,7,12,15,20H,5-6,8H2,(H,16,17)(H,18,19)	C14H16N2O3S	292.353	5	3	120.99	2	7	0	-0.832299999999999	1.75688	2.34	1.984	44.102	84.7555	2.1452	255.24179843215
Cond-006629	NPD6666	NPD6666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.5617226824	OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(O)nc1=O	InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	C9H11BrN2O5	307.098	7	3	102.59	2	2	0	-1.7644	-0.49513	1.57	-0.428	57.1589	64.0784	1.6986	216.826299726306
Cond-006630	NPD6667	NPD6667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7352098052	[C@H]12CCCC[N+]1(C/C=C/c1ccccc1)CCC[C@H]2CO	InChI=1S/C19H28NO/c21-16-18-11-7-15-20(13-5-4-12-19(18)20)14-6-10-17-8-2-1-3-9-17/h1-3,6,8-10,18-19,21H,4-5,7,11-16H2/q+1/b10-6+/t18-,19+,20?/m0/s1	C19H28NO+	286.432	2	1	20.23	3	4	1	-2.6429	3.28869	3.33	5.109	54.0309	86.7242000000001	2.4679	299.770171945796
Cond-006631	NPD6668	NPD6668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.0249418775	[C@H]12CCCC[N+]1(Cc1ccc(cc1)N(=O)=O)CCC[C@H]2CO	InChI=1S/C17H25N2O3/c20-13-15-4-3-11-19(10-2-1-5-17(15)19)12-14-6-8-16(9-7-14)18(21)22/h6-9,15,17,20H,1-5,10-13H2/q+1/t15-,17+,19?/m0/s1	C17H25N2O3+	305.392	5	1	63.37	3	4	0	-2.4506	2.94779	2.78	2.964	47.6023	86.4702000000001	2.4033	293.755416303351
Cond-006632	NPD6669	NPD6669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.4276685552	[C@H]12CCCC[N+]1(Cc1ccc(Cl)c(Cl)c1)CCC[C@H]2CO	InChI=1S/C17H24Cl2NO/c18-15-7-6-13(10-16(15)19)11-20-8-2-1-5-17(20)14(12-21)4-3-9-20/h6-7,10,14,17,21H,1-5,8-9,11-12H2/q+1/t14-,17+,20?/m0/s1	C17H24Cl2NO+	329.285	2	1	20.23	3	3	0	-1.6221	3.9255	2.89	3.269	54.9435	86.8532	2.4739	298.236796935729
Cond-006633	NPD667	NPD667	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.315886134	Cc1c(Cc2ccccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccc(cc1)c1ccccc1	InChI=1S/C31H22O3/c1-20-25-17-27-28(24-14-12-23(13-15-24)22-10-6-3-7-11-22)19-33-29(27)18-30(25)34-31(32)26(20)16-21-8-4-2-5-9-21/h2-15,17-19H,16H2,1H3	C31H22O3	442.505	3	0	39.44	6	4	1	0.929599999999999	8.35077	4.54	11.997	25.8923	141.471	3.35600000000001	402.917029487552
Cond-006634	NPD6670	NPD6670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.7004491795	[C@H]12CCCC[N+]1(CC(=O)OCC)CCC[C@H]2CO	InChI=1S/C14H26NO3/c1-2-18-14(17)10-15-8-4-3-7-13(15)12(11-16)6-5-9-15/h12-13,16H,2-11H2,1H3/q+1/t12-,13+,15?/m0/s1	C14H26NO3+	256.361	4	1	46.53	2	5	0	-3.0625	1.55499	2.56	0.928	59.8443	72.1862000000001	2.1184	262.036537020784
Cond-006635	NPD6672	NPD6672	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5386187168	CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C21H37N3O6S/c1-13(23-20(29)30-21(2,3)4)17(25)22-12-14-6-8-15(9-7-14)18(26)24-16(19(27)28)10-11-31-5/h13-16H,6-12H2,1-5H3,(H,22,25)(H,23,29)(H,24,26)(H,27,28)/t13-,14-,15-,16-/m0/s1	C21H37N3O6S	459.6	9	4	159.13	1	15	1	0.176999999999996	1.74269	2.67	2.412	112.9977	122.7089	3.602	453.110507225469
Cond-006636	NPD6673	NPD6673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1867592971	CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O	InChI=1S/C23H41N3O6S/c1-14(2)18(26-22(31)32-23(3,4)5)20(28)24-13-15-7-9-16(10-8-15)19(27)25-17(21(29)30)11-12-33-6/h14-18H,7-13H2,1-6H3,(H,24,28)(H,25,27)(H,26,31)(H,29,30)/t15-,16-,17-,18-/m0/s1	C23H41N3O6S	487.653	9	4	159.13	1	16	1	0.698599999999999	2.37879	2.89	3.067	121.3668	131.8729	3.8838	487.702476477203
Cond-006637	NPD6674	NPD6674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5116469146	CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C24H43N3O6S/c1-15(2)13-19(27-23(32)33-24(3,4)5)21(29)25-14-16-7-9-17(10-8-16)20(28)26-18(22(30)31)11-12-34-6/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t16-,17-,18-,19+/m1/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.954199999999999	2.76889	3	3.847	125.8186	136.4899	4.0247	504.99846110307
Cond-006638	NPD6675	NPD6675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5609589974	CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CCSC)C(=O)O	InChI=1S/C24H43N3O6S/c1-7-15(2)19(27-23(32)33-24(3,4)5)21(29)25-14-16-8-10-17(11-9-16)20(28)26-18(22(30)31)12-13-34-6/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t15?,16-,17-,18-,19+/m1/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.0224000000000002	2.76889	3	3.636	124.4446	136.4899	4.0247	504.99846110307
Cond-006639	NPD6676	NPD6676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7451300913	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C23H41N3O6S/c1-14(2)18(21(29)30)26-19(27)16-9-7-15(8-10-16)13-24-20(28)17(11-12-33-6)25-22(31)32-23(3,4)5/h14-18H,7-13H2,1-6H3,(H,24,28)(H,25,31)(H,26,27)(H,29,30)/t15-,16-,17-,18-/m0/s1	C23H41N3O6S	487.653	9	4	159.13	1	16	1	0.698599999999999	2.37879	2.89	3.067	121.3668	131.8729	3.8838	487.702476477203
Cond-006640	NPD6677	NPD6677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5495164147	CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C23H41N3O6S2/c1-23(2,3)32-22(31)26-17(10-12-33-4)20(28)24-14-15-6-8-16(9-7-15)19(27)25-18(21(29)30)11-13-34-5/h15-18H,6-14H2,1-5H3,(H,24,28)(H,25,27)(H,26,31)(H,29,30)/t15-,16-,17-,18-/m0/s1	C23H41N3O6S2	519.718	9	4	184.43	1	18	1	0.542199999999996	2.47589	2.78	3.383	128.213	140.0339	4.0473	506.211500534803
Cond-006641	NPD6678	NPD6678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.794987059	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC(C)C)C(=O)O	InChI=1S/C24H43N3O6S/c1-15(2)13-19(22(30)31)26-20(28)17-9-7-16(8-10-17)14-25-21(29)18(11-12-34-6)27-23(32)33-24(3,4)5/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t16-,17-,18-,19+/m0/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.954199999999999	2.76889	3	3.847	125.8186	136.4899	4.0247	504.99846110307
Cond-006642	NPD6679	NPD6679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9989102302	C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CC(=O)N)C(=O)O	InChI=1S/C20H34N4O7/c1-11(23-19(30)31-20(2,3)4)16(26)22-10-12-5-7-13(8-6-12)17(27)24-14(18(28)29)9-15(21)25/h11-14H,5-10H2,1-4H3,(H2,21,25)(H,22,26)(H,23,30)(H,24,27)(H,28,29)/t11-,12-,13-,14+/m1/s1	C20H34N4O7	442.507	11	6	176.92	1	14	2	-0.839500000000003	-0.13501	2.45	-0.17	103.8744	113.5213	3.4131	434.45602674993
Cond-006643	NPD668	NPD668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.3067824096	COc1ccc(C2Oc3c(cccc3)C3CC(=NN23)c2ccc(C)cc2)c(C(=O)O)c1OC	InChI=1S/C26H24N2O5/c1-15-8-10-16(11-9-15)19-14-20-17-6-4-5-7-21(17)33-25(28(20)27-19)18-12-13-22(31-2)24(32-3)23(18)26(29)30/h4-13,20,25H,14H2,1-3H3,(H,29,30)	C26H24N2O5	444.479	7	1	80.59	5	5	1	0.1687	4.96871	3.55	6.786	49.5978	127.5948	3.2491	400.713373679674
Cond-006644	NPD6680	NPD6680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8474322299	CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C21H37N3O6S/c1-13(23-20(29)30-21(2,3)4)17(25)22-12-14-6-8-15(9-7-14)18(26)24-16(19(27)28)10-11-31-5/h13-16H,6-12H2,1-5H3,(H,22,25)(H,23,29)(H,24,26)(H,27,28)/t13-,14-,15-,16-/m1/s1	C21H37N3O6S	459.6	9	4	159.13	1	15	1	0.176999999999996	1.74269	2.67	2.412	112.9977	122.7089	3.602	453.110507225469
Cond-006645	NPD6681	NPD6681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.7711483449	[C@@H]12CSCN1C(=O)CN(CCc1c[nH]c3c1cccc3)C2=O	InChI=1S/C16H17N3O2S/c20-15-8-18(16(21)14-9-22-10-19(14)15)6-5-11-7-17-13-4-2-1-3-12(11)13/h1-4,7,14,17H,5-6,8-10H2/t14-/m0/s1	C16H17N3O2S	315.39	5	1	81.71	4	3	0	-1.174	1.61128	2.56	1.421	51.9714	91.258	2.2509	267.32738378989
Cond-006646	NPD6682	NPD6682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1095218635	CCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C19H23NO6/c1-6-14(20-18(23)26-19(3,4)5)17(22)24-12-7-8-13-11(2)9-16(21)25-15(13)10-12/h7-10,14H,6H2,1-5H3,(H,20,23)	C19H23NO6	361.389	7	1	90.93	2	8	0	1.1811	3.76957	2.78	3.861	67.5353	99.0537	2.7195	346.850158696602
Cond-006647	NPD6684	NPD6684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3548562866	COc1cc2c(cc1)c1ccc(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)cc1oc2=O	InChI=1S/C24H27NO7S/c1-24(2,3)32-23(28)25-19(10-11-33-5)22(27)30-15-7-9-17-16-8-6-14(29-4)12-18(16)21(26)31-20(17)13-15/h6-9,12-13,19H,10-11H2,1-5H3,(H,25,28)/t19-/m1/s1	C24H27NO7S	473.539	8	1	125.46	3	11	2	0.974999999999999	4.59378000000001	3.11	5.327	72.6293	130.9792	3.4516	432.099956481697
Cond-006648	NPD6685	NPD6685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1193297916	Cc1cc([O-])c2c(C[NH+]3CCN(CCO)CC3)cc(=O)oc2c1	InChI=1S/C17H22N2O4/c1-12-8-14(21)17-13(10-16(22)23-15(17)9-12)11-19-4-2-18(3-5-19)6-7-20/h8-10,20-21H,2-7,11H2,1H3	C17H22N2O4	318.368	6	2	77.27	3	4	0	-1.8875	-1.16461	2.67	0.00599999999999992	59.2652	86.4715	2.3975	298.590954952712
Cond-006649	NPD6686	NPD6686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.524724152	COc1c(OC)cc2CN(CCc2c1)C(=O)/C=C/c1ccc(Cl)cc1	InChI=1S/C20H20ClNO3/c1-24-18-11-15-9-10-22(13-16(15)12-19(18)25-2)20(23)8-5-14-3-6-17(21)7-4-14/h3-8,11-12H,9-10,13H2,1-2H3/b8-5+	C20H20ClNO3	357.831	4	0	38.77	3	5	0	0.6458	3.66698	3.11	4.101	51.8084	100.578	2.6551	327.093613589618
Cond-006650	NPD6687	NPD6687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6112246288	COc1cc2c(CN(Cc3c4OCOCc4cc(Br)c3)CC2)cc1OC	InChI=1S/C20H22BrNO4/c1-23-18-7-13-3-4-22(9-14(13)8-19(18)24-2)10-15-5-17(21)6-16-11-25-12-26-20(15)16/h5-8H,3-4,9-12H2,1-2H3	C20H22BrNO4	420.297	5	0	40.16	4	4	0	0.797700000000001	3.92889	3	2.978	56.9014	103.91	2.7438	332.872850198113
Cond-006651	NPD6688	NPD6688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4846751124	COC(=O)c1ccc(CN2CCc3c(C2)cc(OC)c(OC)c3)o1	InChI=1S/C18H21NO5/c1-21-16-8-12-6-7-19(10-13(12)9-17(16)22-2)11-14-4-5-15(24-14)18(20)23-3/h4-5,8-9H,6-7,10-11H2,1-3H3	C18H21NO5	331.363	6	0	61.14	3	6	0	0.0571	1.91189	2.78	2.115	49.7255	91.3500000000001	2.4543	300.143947370174
Cond-006652	NPD6689	NPD6689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8723607138	COc1c(OC)cc2CN(CCc2c1)C(=O)/C=C/c1ccco1	InChI=1S/C18H19NO4/c1-21-16-10-13-7-8-19(12-14(13)11-17(16)22-2)18(20)6-5-15-4-3-9-23-15/h3-6,9-11H,7-8,12H2,1-2H3/b6-5+	C18H19NO4	313.348	5	0	51.91	3	5	0	-0.2526	2.60658	2.89	2.404	47.8119	87.834	2.3526	288.717261968812
Cond-006653	NPD6690	NPD6690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.372156382	COc1c(OC)cc2CN(CCc2c1)C(=O)c1ccncc1	InChI=1S/C17H18N2O3/c1-21-15-9-13-5-8-19(11-14(13)10-16(15)22-2)17(20)12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8,11H2,1-2H3	C17H18N2O3	298.336	5	0	51.66	3	4	0	-0.4596	1.92619	2.78	1.793	35.9493	84.4930000000001	2.2528	273.627810850551
Cond-006654	NPD6691	NPD6691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.7063070426	CC(C)CCc1ccc(cc1)C([NH3+])CC(=O)[O-]	InChI=1S/C14H21NO2/c1-10(2)3-4-11-5-7-12(8-6-11)13(15)9-14(16)17/h5-8,10,13H,3-4,9,15H2,1-2H3,(H,16,17)	C14H21NO2	235.322	3	3	67.77	1	6	0	-1.4862	0.590990000000002	2.67	4.51	36.4736	67.3191	2.0178	245.475163568223
Cond-006655	NPD6692	NPD6692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.4369976842	CC(C)Cc1ccc(cc1)C([NH3+])CC(=O)[O-]	InChI=1S/C13H19NO2/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13(15)16/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,16)	C13H19NO2	221.295	3	3	67.77	1	5	0	-1.483	0.200890000000001	2.56	3.941	31.911	62.7021	1.8769	228.179178942356
Cond-006656	NPD6693	NPD6693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.0374608364	CC[C@]12CN3C[C@](C)(CN(C1)C3c1ccc3OCOc3c1)C2=O	InChI=1S/C18H22N2O3/c1-3-18-9-19-7-17(2,16(18)21)8-20(10-18)15(19)12-4-5-13-14(6-12)23-11-22-13/h4-6,15H,3,7-11H2,1-2H3/t15?,17-,18+	C18H22N2O3	314.379	5	0	42.01	2	2	0	-0.152200000000001	2.42408	2.89	1.12	61.734	88.8160000000001	2.3055	285.020254177218
Cond-006657	NPD6694	NPD6694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.9061435772	CC[C@]12CN3C[C@](C)(CN(C1)C3c1cc(O)c(O)cc1)C2=O	InChI=1S/C17H22N2O3/c1-3-17-9-18-7-16(2,15(17)22)8-19(10-17)14(18)11-4-5-12(20)13(21)6-11/h4-6,14,20-21H,3,7-10H2,1-2H3/t14?,16-,17+	C17H22N2O3	302.368	5	2	64.01	1	2	0	-0.770100000000001	1.60579	2.78	0.584	59.3911	83.9616	2.2732	280.080728252151
Cond-006658	NPD6696	NPD6696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0674295055	CCC12CN3CC(CC)(CN(C1)C3c1c(C)c(O)nc(O)n1)C2=O	InChI=1S/C17H24N4O3/c1-4-16-6-20-8-17(5-2,14(16)23)9-21(7-16)13(20)11-10(3)12(22)19-15(24)18-11/h13H,4-9H2,1-3H3,(H2,18,19,22,24)	C17H24N4O3	332.397	7	2	89.79	1	3	0	-0.4632	1.73371	2.56	-0.111	69.7416	90.4226	2.4728	302.074248668485
Cond-006659	NPD6697	NPD6697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1448031603	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccco1)C2O	InChI=1S/C16H24N2O2/c1-3-15-8-17-10-16(4-2,14(15)19)11-18(9-15)13(17)12-6-5-7-20-12/h5-7,13-14,19H,3-4,8-11H2,1-2H3/t13?,14?,15-,16+	C16H24N2O2	276.374	4	1	39.85	1	3	0	-0.585600000000001	1.7164	2.78	2.062	61.3459	77.7008000000001	2.1596	259.267434327323
Cond-006660	NPD6698	NPD6698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.961585615	CCC[C@]12CN3C[C@](CCC)(CN(C1)C3c1ccco1)C2O	InChI=1S/C18H28N2O2/c1-3-7-17-10-19-12-18(8-4-2,16(17)21)13-20(11-17)15(19)14-6-5-9-22-14/h5-6,9,15-16,21H,3-4,7-8,10-13H2,1-2H3/t15?,16?,17-,18+	C18H28N2O2	304.427	4	1	39.85	1	5	0	-1.548	2.4966	3	3.2	67.9963	86.9348000000001	2.4414	293.859403579057
Cond-006661	NPD6699	NPD6699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.965808473	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C17H22N2O5/c1-10(2)15(17(22)23)18-16(21)11-8-14(20)19(9-11)12-4-6-13(24-3)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,18,21)(H,22,23)/t11?,15-/m0/s1	C17H22N2O5	334.367	7	2	95.94	2	7	0	-1.2437	2.03448	2.56	1.123	59.8917	91.5255000000001	2.5218	317.101181653274
Cond-006662	NPD67	NPD67	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4491629623	CC(=O)[C@@]1(O)CCC2C3CCC4=C/C(=N\OCC(=O)NC5CCCCNC5=O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H43N3O5/c1-18(33)29(36)14-11-23-21-8-7-19-16-20(9-12-27(19,2)22(21)10-13-28(23,29)3)32-37-17-25(34)31-24-6-4-5-15-30-26(24)35/h16,21-24,36H,4-15,17H2,1-3H3,(H,30,35)(H,31,34)/b32-20-/t21?,22?,23?,24?,27-,28-,29-/m0/s1	C29H43N3O5	513.669	8	3	117.09	5	6	0	-2.1601	3.73657000000001	3.77	3.613	132.2448	144.6432	4.0296	512.116839970242
Cond-006663	NPD670	NPD670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5579515489	CCC(=O)N(CCC(c1ccccc1)c1cc2c(OCO2)cc1)Cc1ccc(OC)cc1	InChI=1S/C27H29NO4/c1-3-27(29)28(18-20-9-12-23(30-2)13-10-20)16-15-24(21-7-5-4-6-8-21)22-11-14-25-26(17-22)32-19-31-25/h4-14,17,24H,3,15-16,18-19H2,1-2H3	C27H29NO4	431.523	5	0	48	4	10	1	-1.2989	5.76318000000001	3.88	7.381	48.793	127.79	3.3831	413.215288798414
Cond-006664	NPD6700	NPD6700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.5293556736	CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C24H43N3O6S/c1-7-15(2)19(27-23(32)33-24(3,4)5)21(29)25-14-16-8-10-17(11-9-16)20(28)26-18(22(30)31)12-13-34-6/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t15?,16-,17-,18-,19-/m0/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.0224000000000002	2.76889	3	3.636	124.4446	136.4899	4.0247	504.99846110307
Cond-006665	NPD6701	NPD6701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9891023021	CCC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C24H43N3O6S/c1-7-15(2)19(22(30)31)27-20(28)17-10-8-16(9-11-17)14-25-21(29)18(12-13-34-6)26-23(32)33-24(3,4)5/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,32)(H,27,28)(H,30,31)/t15?,16-,17-,18-,19-/m0/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.0224000000000002	2.76889	3	3.636	124.4446	136.4899	4.0247	504.99846110307
Cond-006666	NPD6702	NPD6702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.375834355	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CC(C)C)C(=O)O	InChI=1S/C24H43N3O6S/c1-15(2)13-19(22(30)31)26-20(28)17-9-7-16(8-10-17)14-25-21(29)18(11-12-34-6)27-23(32)33-24(3,4)5/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t16-,17-,18-,19-/m0/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.954199999999999	2.76889	3	3.847	125.8186	136.4899	4.0247	504.99846110307
Cond-006667	NPD6703	NPD6703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.888979703	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](C)C(=O)O	InChI=1S/C21H37N3O6S/c1-13(19(27)28)23-17(25)15-8-6-14(7-9-15)12-22-18(26)16(10-11-31-5)24-20(29)30-21(2,3)4/h13-16H,6-12H2,1-5H3,(H,22,26)(H,23,25)(H,24,29)(H,27,28)/t13-,14-,15-,16+/m1/s1	C21H37N3O6S	459.6	9	4	159.13	1	15	1	0.176999999999996	1.74269	2.67	2.412	112.9977	122.7089	3.602	453.110507225469
Cond-006668	NPD6704	NPD6704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7639286201	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(C)C)C(=O)O	InChI=1S/C23H41N3O6S/c1-14(2)18(21(29)30)26-19(27)16-9-7-15(8-10-16)13-24-20(28)17(11-12-33-6)25-22(31)32-23(3,4)5/h14-18H,7-13H2,1-6H3,(H,24,28)(H,25,31)(H,26,27)(H,29,30)/t15-,16-,17-,18+/m0/s1	C23H41N3O6S	487.653	9	4	159.13	1	16	1	0.698599999999999	2.37879	2.89	3.067	121.3668	131.8729	3.8838	487.702476477203
Cond-006669	NPD6705	NPD6705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.5175044272	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(C)O)C(=O)O	InChI=1S/C22H39N3O7S/c1-13(26)17(20(29)30)25-18(27)15-8-6-14(7-9-15)12-23-19(28)16(10-11-33-5)24-21(31)32-22(2,3)4/h13-17,26H,6-12H2,1-5H3,(H,23,28)(H,24,31)(H,25,27)(H,29,30)/t13?,14-,15-,16-,17+/m0/s1	C22H39N3O7S	489.626	10	5	179.36	1	16	1	-0.333700000000003	1.10359	2.67	1.74	118.9602	128.7157	3.8016	479.196718551897
Cond-006670	NPD6706	NPD6706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	62.6399673069	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC(=O)N)C(=O)O	InChI=1S/C22H38N4O7S/c1-22(2,3)33-21(32)26-15(9-10-34-4)19(29)24-12-13-5-7-14(8-6-13)18(28)25-16(20(30)31)11-17(23)27/h13-16H,5-12H2,1-4H3,(H2,23,27)(H,24,29)(H,25,28)(H,26,32)(H,30,31)/t13-,14-,15-,16+/m0/s1	C22H38N4O7S	502.625	11	6	202.22	1	17	2	-0.474300000000005	0.59819	2.56	0.801	119.0897	130.8463	3.8584	487.557020059264
Cond-006671	NPD6708	NPD6708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.3134450347	CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C21H37N3O6S/c1-13(23-20(29)30-21(2,3)4)17(25)22-12-14-6-8-15(9-7-14)18(26)24-16(19(27)28)10-11-31-5/h13-16H,6-12H2,1-5H3,(H,22,25)(H,23,29)(H,24,26)(H,27,28)/t13-,14-,15-,16+/m1/s1	C21H37N3O6S	459.6	9	4	159.13	1	15	1	0.176999999999996	1.74269	2.67	2.412	112.9977	122.7089	3.602	453.110507225469
Cond-006672	NPD6709	NPD6709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.6575398447	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(Cc1c(F)cccc1)C2	InChI=1S/C23H18FNO3/c1-14-21-16(12-25(13-27-21)11-15-6-2-5-9-20(15)24)10-19-17-7-3-4-8-18(17)23(26)28-22(14)19/h2-10H,11-13H2,1H3	C23H18FNO3	375.392	4	0	38.77	5	2	1	0.9184	4.7995	3.44	6.069	30.8417	108.4	2.6699	328.952223743891
Cond-006673	NPD671	NPD671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8630055951	CCc1c(oc2ccc3c(C)cc(=O)oc3c12)C(=O)c1ccc(Cl)cc1	InChI=1S/C21H15ClO4/c1-3-14-18-16(9-8-15-11(2)10-17(23)26-20(15)18)25-21(14)19(24)12-4-6-13(22)7-5-12/h4-10H,3H2,1-2H3	C21H15ClO4	366.794	4	0	56.51	4	3	0	1.3497	5.67996	3.22	4.976	43.7484	106.1675	2.5603	313.653688605479
Cond-006674	NPD6710	NPD6710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6984062117	Cc1c2oc(=O)c(CCC(=O)NC(Cc3c[nH]c4c3cc(O)cc4)C(=O)O)c(C)c2cc2c1occ2C(C)(C)C	InChI=1S/C31H32N2O7/c1-15-19(30(38)40-28-16(2)27-22(12-20(15)28)23(14-39-27)31(3,4)5)7-9-26(35)33-25(29(36)37)10-17-13-32-24-8-6-18(34)11-21(17)24/h6,8,11-14,25,32,34H,7,9-10H2,1-5H3,(H,33,35)(H,36,37)	C31H32N2O7	544.595	9	4	141.86	5	9	0	0.918800000000001	5.70528000000001	3.88	4.042	84.0484	154.9663	4.028	491.23729150933
Cond-006675	NPD6711	NPD6711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.38196431	Cc1cccc2c1oc1c(c2=O)c(O)cc(OCc2ccc(cc2)C(=O)O)c1	InChI=1S/C22H16O6/c1-12-3-2-4-16-20(24)19-17(23)9-15(10-18(19)28-21(12)16)27-11-13-5-7-14(8-6-13)22(25)26/h2-10,23H,11H2,1H3,(H,25,26)	C22H16O6	376.359	6	2	93.06	4	4	0	-0.6185	5.08989	3.22	3.931	28.5824	108.5013	2.6532	330.682600161235
Cond-006676	NPD6712	NPD6712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5002043318	COC(=O)c1ccc(COc2cc3c(c(=O)c4c(o3)c(C)ccc4)c(O)c2)cc1	InChI=1S/C23H18O6/c1-13-4-3-5-17-21(25)20-18(24)10-16(11-19(20)29-22(13)17)28-12-14-6-8-15(9-7-14)23(26)27-2/h3-11,24H,12H2,1-2H3	C23H18O6	390.385	6	1	82.06	4	5	0	-0.3675	5.17829	3.33	4.252	33.3515	112.8815	2.7941	347.978584787102
Cond-006677	NPD6713	NPD6713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.764473505	COc1cc2c(cc1)c(C)c(CC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)NCC(=O)O)c(=O)o2	InChI=1S/C27H29N3O8S/c1-16-19-9-8-18(37-2)10-22(19)38-27(36)20(16)11-23(31)30-21(15-39-14-17-6-4-3-5-7-17)26(35)29-12-24(32)28-13-25(33)34/h3-10,21H,11-15H2,1-2H3,(H,28,32)(H,29,35)(H,30,31)(H,33,34)/t21-/m0/s1	C27H29N3O8S	555.599	11	4	185.43	3	16	1	-1.4806	1.90818	3.11	2.993	90.7457	148.5779	4.0036	506.862281373792
Cond-006678	NPD6714	NPD6714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7731916633	COc1c(C)c2c(cc1)c(C)c(CC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCCCCCC(=O)O)c(=O)o2	InChI=1S/C30H36N2O7S/c1-19-22-13-14-25(38-3)20(2)28(22)39-30(37)23(19)16-26(33)32-24(18-40-17-21-10-6-4-7-11-21)29(36)31-15-9-5-8-12-27(34)35/h4,6-7,10-11,13-14,24H,5,8-9,12,15-18H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t24-/m0/s1	C30H36N2O7S	568.681	9	3	156.33	3	17	2	-0.617800000000001	4.93590000000001	3.66	5.165	97.6785	160.0032	4.3108	541.599707043464
Cond-006679	NPD6715	NPD6715	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5864323662	COc1cc(C)cc2c1c(C)c(CC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCCCCCC(=O)O)c(=O)o2	InChI=1S/C30H36N2O7S/c1-19-14-24(38-3)28-20(2)22(30(37)39-25(28)15-19)16-26(33)32-23(18-40-17-21-10-6-4-7-11-21)29(36)31-13-9-5-8-12-27(34)35/h4,6-7,10-11,14-15,23H,5,8-9,12-13,16-18H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t23-/m0/s1	C30H36N2O7S	568.681	9	3	156.33	3	17	2	-0.617800000000001	4.38040000000001	3.66	5.376	97.6785	157.6762	4.3108	541.599707043464
Cond-006680	NPD6716	NPD6716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.1547473096	CC(C)[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1c(C)c2c(oc1=O)cc(O)c(Cl)c2)C(=O)O	InChI=1S/C27H29ClN2O7S/c1-14(2)24(26(34)35)30-25(33)20(13-38-12-16-7-5-4-6-8-16)29-23(32)10-18-15(3)17-9-19(28)21(31)11-22(17)37-27(18)36/h4-9,11,14,20,24,31H,10,12-13H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,24-/m0/s1	C27H29ClN2O7S	561.046	9	4	167.33	3	13	1	0.309399999999999	3.98427	3.22	4.579	92.6352	148.388	4.0105	504.922820936297
Cond-006681	NPD6717	NPD6717	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.3202560959	COc1c(OC)c2c(cc1)c(C)c(CC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)NCC(=O)O)c(=O)o2	InChI=1S/C28H31N3O9S/c1-16-18-9-10-21(38-2)26(39-3)25(18)40-28(37)19(16)11-22(32)31-20(15-41-14-17-7-5-4-6-8-17)27(36)30-12-23(33)29-13-24(34)35/h4-10,20H,11-15H2,1-3H3,(H,29,33)(H,30,36)(H,31,32)(H,34,35)/t20-/m0/s1	C28H31N3O9S	585.625	12	4	194.66	3	17	1	-1.5324	1.91678	3.11	2.549	98.0615	155.1299	4.2032	532.94849270022
Cond-006682	NPD6718	NPD6718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.2014711892	COc1cc2c(cc1OC)c(C)c(CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)c(=O)o2	InChI=1S/C22H28N2O8S/c1-11-13-8-17(30-3)18(31-4)10-16(13)32-22(29)14(11)9-19(25)24-15(6-7-33-5)20(26)23-12(2)21(27)28/h8,10,12,15H,6-7,9H2,1-5H3,(H,23,26)(H,24,25)(H,27,28)/t12-,15-/m0/s1	C22H28N2O8S	480.531	10	3	165.56	2	13	1	-0.797100000000002	2.16557	2.67	1.418	94.6136	126.8042	3.4799	443.187891540291
Cond-006683	NPD672	NPD672	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.6710663425	CCCN1C(=O)C2(N3C[C@]4(CN2C[C@](C3)(C(C)C)C4=O)C(C)C)c2c1cccc2	InChI=1S/C24H33N3O2/c1-6-11-27-19-10-8-7-9-18(19)24(21(27)29)25-12-22(16(2)3)13-26(24)15-23(14-25,17(4)5)20(22)28/h7-10,16-17H,6,11-15H2,1-5H3/t22-,23+,24?	C24H33N3O2	395.538	5	0	43.86	2	4	0	-0.624699999999999	3.56929	3.55	3.261	87.032	116.614	3.149	388.366236739225
Cond-006684	NPD6720	NPD6720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2968260455	COc1c(C)c2c(cc1)c(C)c(CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)NCC(=O)O)c(=O)o2	InChI=1S/C23H30N4O8/c1-12-14-6-8-17(34-3)13(2)20(14)35-22(32)15(12)7-9-18(28)27-16(5-4-10-25-23(24)33)21(31)26-11-19(29)30/h6,8,16H,4-5,7,9-11H2,1-3H3,(H,26,31)(H,27,28)(H,29,30)(H3,24,25,33)/t16-/m0/s1	C23H30N4O8	490.506	12	6	186.15	2	15	1	-1.7455	1.6202	2.67	-0.439	92.3698	131.1243	3.6139	461.331913824091
Cond-006685	NPD6721	NPD6721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5615038823	Cc1c(C)c2cc3c(oc(=O)c(CCC(=O)NCCCCCC(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)c3C)c(C)c2o1	InChI=1S/C35H39N3O7/c1-19-22(4)44-32-21(3)33-27(17-26(19)32)20(2)24(35(43)45-33)13-14-30(39)36-15-9-5-6-12-31(40)38-29(34(41)42)16-23-18-37-28-11-8-7-10-25(23)28/h7-8,10-11,17-18,29,37H,5-6,9,12-16H2,1-4H3,(H,36,39)(H,38,40)(H,41,42)/t29-/m0/s1	C35H39N3O7	613.7	10	4	150.73	5	15	1	-0.547999999999999	5.41562000000001	4.21	4.434	99.0293	175.7882	4.6484	568.781531520163
Cond-006686	NPD6722	NPD6722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2755755347	C[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(C)c2c(oc1=O)c(C)c1occ(c1c2)C(C)(C)C)C(=O)O	InChI=1S/C33H35N3O7/c1-16-21-12-23-24(33(4,5)6)15-42-28(23)17(2)29(21)43-32(41)22(16)13-27(37)36-26(30(38)35-18(3)31(39)40)11-19-14-34-25-10-8-7-9-20(19)25/h7-10,12,14-15,18,26,34H,11,13H2,1-6H3,(H,35,38)(H,36,37)(H,39,40)/t18-,26-/m0/s1	C33H35N3O7	585.647	10	4	150.73	5	11	1	0.576100000000001	5.11428000000001	3.99	4.745	93.2814	166.2892	4.3666	534.18956226843
Cond-006687	NPD6723	NPD6723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.9486445988	COc1c(OC)c2c(cc1)c(C)c(CC(=O)N[C@@H](C(=O)NCCCCCC(=O)O)c1ccccc1)c(=O)o2	InChI=1S/C28H32N2O8/c1-17-19-13-14-21(36-2)26(37-3)25(19)38-28(35)20(17)16-22(31)30-24(18-10-6-4-7-11-18)27(34)29-15-9-5-8-12-23(32)33/h4,6-7,10-11,13-14,24H,5,8-9,12,15-16H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t24-/m1/s1	C28H32N2O8	524.562	10	3	140.26	3	15	1	-1.9254	3.79868000000001	3.44	3.638	82.2743	143.3572	3.9242	497.288940434692
Cond-006688	NPD6724	NPD6724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.8869363847	COc1cc2c(c(OC)c1)c(C)c(CC(=O)N[C@@H](CSC)C(=O)NCC(=O)NCC(=O)O)c(=O)o2	InChI=1S/C22H27N3O9S/c1-11-13(22(31)34-16-6-12(32-2)5-15(33-3)20(11)16)7-17(26)25-14(10-35-4)21(30)24-8-18(27)23-9-19(28)29/h5-6,14H,7-10H2,1-4H3,(H,23,27)(H,24,30)(H,25,26)(H,28,29)/t14-/m0/s1	C22H27N3O9S	509.529	12	4	194.66	2	15	1	-1.4417	0.685880000000001	2.45	-0.293999999999999	99.046	131.6639	3.5954	460.338419748219
Cond-006689	NPD6725	NPD6725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.5365753984	COc1c(C)c2c(cc1)c(C)c(CC(=O)NCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O)c(=O)o2	InChI=1S/C26H28N2O7S/c1-15-18-9-10-21(34-3)16(2)24(18)35-26(33)19(15)11-22(29)27-12-23(30)28-20(25(31)32)14-36-13-17-7-5-4-6-8-17/h4-10,20H,11-14H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)/t20-/m0/s1	C26H28N2O7S	512.575	9	3	156.33	3	13	1	-0.00199999999999856	3.19279	3.22	3.933	84.2443	140.4732	3.7472	472.415768539997
Cond-006690	NPD6726	NPD6726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6237569813	CCCCC(NC(=O)Cc1c(C)c2c(oc1=O)c(C)c(OC)cc2)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O	InChI=1S/C30H36N2O7S/c1-5-6-12-23(28(34)32-24(29(35)36)17-40-16-20-10-8-7-9-11-20)31-26(33)15-22-18(2)21-13-14-25(38-4)19(3)27(21)39-30(22)37/h7-11,13-14,23-24H,5-6,12,15-17H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23?,24-/m0/s1	C30H36N2O7S	568.681	9	3	156.33	3	16	2	-0.770000000000001	4.75159000000001	3.66	5.955	97.6386	158.9192	4.3108	541.599707043464
Cond-006691	NPD6727	NPD6727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.1510693366	COc1c(C)c2c(cc1)c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O)c(=O)o2	InChI=1S/C28H31N3O8S/c1-16-19-9-10-22(38-3)17(2)26(19)39-28(37)20(16)11-23(32)29-12-24(33)30-13-25(34)31-21(27(35)36)15-40-14-18-7-5-4-6-8-18/h4-10,21H,11-15H2,1-3H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)/t21-/m0/s1	C28H31N3O8S	569.626	11	4	185.43	3	16	1	-0.838599999999998	2.30899	3.22	3.105	96.2478	153.4829	4.1445	524.158265999658
Cond-006692	NPD6728	NPD6728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8017981201	COc1c(C)c2c(cc1)c(C)c(CC(=O)N[C@@H](CCSC)C(=O)N1CCC(CC1)C(=O)O)c(=O)o2	InChI=1S/C25H32N2O7S/c1-14-17-5-6-20(33-3)15(2)22(17)34-25(32)18(14)13-21(28)26-19(9-12-35-4)23(29)27-10-7-16(8-11-27)24(30)31/h5-6,16,19H,7-13H2,1-4H3,(H,26,28)(H,30,31)/t19-/m0/s1	C25H32N2O7S	504.596	9	2	147.54	3	11	1	-0.695000000000001	3.47439	3.11	2.124	102.4476	137.9185	3.7353	473.92916001653
Cond-006693	NPD6729	NPD6729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.7151614221	CCC(NC(=O)Cc1c(C)c2c(oc1=O)cc(OC)cc2OC)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C23H30N2O8S/c1-6-15(21(27)25-16(22(28)29)7-8-34-5)24-19(26)11-14-12(2)20-17(32-4)9-13(31-3)10-18(20)33-23(14)30/h9-10,15-16H,6-8,11H2,1-5H3,(H,24,26)(H,25,27)(H,28,29)/t15?,16-/m0/s1	C23H30N2O8S	494.558	10	3	165.56	2	14	1	-1.0851	2.55567	2.78	1.776	97.5252	131.4212	3.6208	460.483876166158
Cond-006694	NPD673	NPD673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.3319610169	[C@@H]12CCCC[N+]1(C)CCC[C@@H]2COC(=O)c1ccc(CCCCC)oc1=O	InChI=1S/C22H34NO4/c1-3-4-5-10-18-12-13-19(22(25)27-18)21(24)26-16-17-9-8-15-23(2)14-7-6-11-20(17)23/h12-13,17,20H,3-11,14-16H2,1-2H3/q+1/t17-,20+,23?/m1/s1	C22H34NO4+	376.51	5	0	52.6	3	8	0	-3.0058	3.97237	3.33	3.769	92.5457	106.3434	3.0667	388.92880592508
Cond-006695	NPD6730	NPD6730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.2486037325	COc1cc2c(c(OC)c1)c(C)c(CC(=O)NC(CSCc1ccccc1)C(=O)NCC(=O)O)c(=O)o2	InChI=1S/C26H28N2O8S/c1-15-18(26(33)36-21-10-17(34-2)9-20(35-3)24(15)21)11-22(29)28-19(25(32)27-12-23(30)31)14-37-13-16-7-5-4-6-8-16/h4-10,19H,11-14H2,1-3H3,(H,27,32)(H,28,29)(H,30,31)	C26H28N2O8S	528.574	10	3	165.56	3	14	1	-0.6958	2.80058	3.11	3.377	86.058	142.1202	3.8059	481.205995240558
Cond-006696	NPD6732	NPD6732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	79.0845933796	Cc1c(O)ccc2c1oc(=O)c(CC(=O)N1CCC(CC1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O)c2C	InChI=1S/C29H32N2O7S/c1-17-21-8-9-24(32)18(2)26(21)38-29(37)22(17)14-25(33)31-12-10-20(11-13-31)27(34)30-23(28(35)36)16-39-15-19-6-4-3-5-7-19/h3-9,20,23,32H,10-16H2,1-2H3,(H,30,34)(H,35,36)/t23-/m0/s1	C29H32N2O7S	552.639	9	3	158.54	4	11	1	-0.906199999999998	3.88199	3.55	4.09	93.8003	152.2385	4.0613	511.947263716797
Cond-006697	NPD6733	NPD6733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	73.9735730827	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	InChI=1S/C21H22N2O5/c1-28-17-9-7-16(8-10-17)23-13-15(12-19(23)24)20(25)22-18(21(26)27)11-14-5-3-2-4-6-14/h2-10,15,18H,11-13H2,1H3,(H,22,25)(H,26,27)/t15?,18-/m0/s1	C21H22N2O5	382.41	7	2	95.94	3	8	0	-1.7542	2.62118	3	3.733	50.4893	106.8335	2.8478	355.119285353541
Cond-006698	NPD6734	NPD6734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.0099441493	COC(=O)/C=C\1/C=C2N(CCc3cc(OC)c(OC)cc23)C1=O	InChI=1S/C17H17NO5/c1-21-14-7-10-4-5-18-13(12(10)9-15(14)22-2)6-11(17(18)20)8-16(19)23-3/h6-9H,4-5H2,1-3H3/b11-8-	C17H17NO5	315.321	6	0	65.07	3	4	0	-0.2735	1.51977	2.67	1.181	61.8952	84.95	2.2704	291.111504043506
Cond-006699	NPD6735	NPD6735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.868818962	COc1cc(cc(OC)c1OC)C1CC(=O)C=C2N1CCc1cc(OC)c(OC)cc21	InChI=1S/C24H27NO6/c1-27-20-8-14-6-7-25-18(11-16(26)12-19(25)17(14)13-21(20)28-2)15-9-22(29-3)24(31-5)23(10-15)30-4/h8-10,12-13,18H,6-7,11H2,1-5H3	C24H27NO6	425.474	7	0	66.46	4	6	0	-0.3437	3.35278	3.33	2.77	71.5053	117.799	3.1638	395.080705723536
Cond-006700	NPD6736	NPD6736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.0390954911	COc1c(OC)cc2c3cc(cn3CCc2c1)c1cc2c(o1)cccc2	InChI=1S/C22H19NO3/c1-24-21-10-14-7-8-23-13-16(9-18(23)17(14)12-22(21)25-2)20-11-15-5-3-4-6-19(15)26-20/h3-6,9-13H,7-8H2,1-2H3	C22H19NO3	345.391	4	0	36.53	5	3	0	0.0227000000000003	5.16449	3.44	4.558	28.3127	105.815	2.5543	297.325138968519
Cond-006701	NPD6737	NPD6737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.146437815	COc1cccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3C2=C)c1	InChI=1S/C22H23NO4/c1-15-19-14-21(27-4)20(26-3)13-17(19)10-11-23(15)22(24)9-8-16-6-5-7-18(12-16)25-2/h5-9,12-14H,1,10-11H2,2-4H3/b9-8+	C22H23NO4	365.422	5	0	48	3	6	0	0.0988000000000021	3.64967	3.33	4.088	58.2713	107.144	2.8302	352.62828307068
Cond-006702	NPD6738	NPD6738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.9410162103	CCOc1c(cccc1)C(=O)N1CCc2cc(OC)c(OC)cc2C1=C	InChI=1S/C21H23NO4/c1-5-26-18-9-7-6-8-16(18)21(23)22-11-10-15-12-19(24-3)20(25-4)13-17(15)14(22)2/h6-9,12-13H,2,5,10-11H2,1,3-4H3	C21H23NO4	353.412	5	0	48	3	6	0	-0.0118999999999991	3.55738	3.22	3.906	52.3216	102.891	2.7323	337.968757145613
Cond-006703	NPD6739	NPD6739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.0472687645	COc1c(OC)cc2C(=C)N(CCc2c1)C(=O)/C=C/c1ccccc1	InChI=1S/C21H21NO3/c1-15-18-14-20(25-3)19(24-2)13-17(18)11-12-22(15)21(23)10-9-16-7-5-4-6-8-16/h4-10,13-14H,1,11-12H2,2-3H3/b10-9+	C21H21NO3	335.396	4	0	38.77	3	5	1	0.1506	3.64107	3.33	5.587	50.9555	100.592	2.6306	326.542071744252
Cond-006704	NPD674	NPD674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.4100925308	COc1ccc(cc1COc1ccc(NC(=O)C)cc1)C1CC(=O)c2c(O1)cccc2	InChI=1S/C25H23NO5/c1-16(27)26-19-8-10-20(11-9-19)30-15-18-13-17(7-12-23(18)29-2)25-14-22(28)21-5-3-4-6-24(21)31-25/h3-13,25H,14-15H2,1-2H3,(H,26,27)	C25H23NO5	417.454	6	1	73.86	4	7	0	-1.2527	6.14877	3.55	4.63	41.4252	123.1702	3.117	384.777087546441
Cond-006705	NPD6740	NPD6740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0519002861	COc1c(OC)cc2C(=C)N(CCc2c1)C(=O)c1ccc(C)cc1	InChI=1S/C20H21NO3/c1-13-5-7-15(8-6-13)20(22)21-10-9-16-11-18(23-3)19(24-4)12-17(16)14(21)2/h5-8,11-12H,2,9-10H2,1,3-4H3	C20H21NO3	323.386	4	0	38.77	3	4	0	0.431500000000001	3.1867	3.22	4.672	46.2141	95.3620000000001	2.5327	311.882545819185
Cond-006706	NPD6741	NPD6741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3295191391	COc1cc2c(cc1OC)C(=C)N(CC2)C(=O)c1ccccc1	InChI=1S/C19H19NO3/c1-13-16-12-18(23-3)17(22-2)11-15(16)9-10-20(13)19(21)14-7-5-4-6-8-14/h4-8,11-12H,1,9-10H2,2-3H3	C19H19NO3	309.359	4	0	38.77	3	4	0	-0.2105	3.15868	3.11	4.349	40.712	91.7220000000001	2.3918	294.586561193318
Cond-006707	NPD6742	NPD6742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5345320801	COc1c(OC)cc2C(=C)N(CCc2c1)C(=O)C1=COCCO1	InChI=1S/C17H19NO5/c1-11-13-9-15(21-3)14(20-2)8-12(13)4-5-18(11)17(19)16-10-22-6-7-23-16/h8-10H,1,4-7H2,2-3H3	C17H19NO5	317.336	6	0	57.23	3	4	0	-0.995499999999999	1.92477	2.67	1.909	62.2626	85.895	2.3134	293.747962744306
Cond-006708	NPD6744	NPD6744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.7357308269	[nH]1c2c(cccc2)c2c1c(/C=C/c1ccc(F)cc1)ncc2	InChI=1S/C19H13FN2/c20-14-8-5-13(6-9-14)7-10-18-19-16(11-12-21-18)15-3-1-2-4-17(15)22-19/h1-12,22H/b10-7+	C19H13FN2	288.318	2	1	28.68	4	2	1	0.5271	3.91318	3.22	5.925	14.4911	89.641	2.1386	245.850824047707
Cond-006709	NPD6745	NPD6745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9742541888	[nH]1c2c(cccc2)c2c1c(/C=C/c1ccc(ON=O)cc1)ncc2	InChI=1S/C19H13N3O2/c23-22-24-14-8-5-13(6-9-14)7-10-18-19-16(11-12-20-18)15-3-1-2-4-17(15)21-19/h1-12,21H/b10-7+	C19H13N3O2	315.325	5	1	67.34	4	4	1	-2.002	4.15988	3	6.354	20.4301	94.799	2.2951	265.72402010589
Cond-006710	NPD6746	NPD6746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.5568723607	Cc1ccc(Cl)c2c1NC(=O)C2(O)c1c[nH]c2c1cccc2	InChI=1S/C17H13ClN2O2/c1-9-6-7-12(18)14-15(9)20-16(21)17(14,22)11-8-19-13-5-3-2-4-10(11)13/h2-8,19,22H,1H3,(H,20,21)	C17H13ClN2O2	312.75	4	3	65.12	4	1	0	-0.4141	3.33021	2.78	3.269	26.7268	88.7995	2.1649	254.155734518823
Cond-006711	NPD6747	NPD6747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.9985015665	Cc1c(c2c([nH]1)cccc2)C1(O)C(=O)Nc2c1c(Cl)ccc2C	InChI=1S/C18H15ClN2O2/c1-9-7-8-12(19)15-16(9)21-17(22)18(15,23)14-10(2)20-13-6-4-3-5-11(13)14/h3-8,20,23H,1-2H3,(H,21,22)	C18H15ClN2O2	326.777	4	3	65.12	4	1	0	0.0254000000000001	3.35823	2.89	3.766	32.4593	92.4395	2.3058	271.45171914469
Cond-006712	NPD6748	NPD6748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.9367933524	CCCC[C@]12CN3C[C@](C)(CN(C1)C3c1ccccn1)C2=O	InChI=1S/C18H25N3O/c1-3-4-8-18-12-20-10-17(2,16(18)22)11-21(13-18)15(20)14-7-5-6-9-19-14/h5-7,9,15H,3-4,8,10-13H2,1-2H3/t15?,17-,18+	C18H25N3O	299.411	4	0	36.44	1	4	0	-0.618699999999999	2.82969	3	2.208	60.4987	88.9680000000001	2.3965	290.793019685062
Cond-006713	NPD6749	NPD6749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.5932434273	OC(=O)C1C2OC3(C=C2)C2OCc4ccccc4N2C(=O)C13	InChI=1S/C16H13NO5/c18-13-12-11(14(19)20)10-5-6-16(12,22-10)15-17(13)9-4-2-1-3-8(9)7-21-15/h1-6,10-12,15H,7H2,(H,19,20)	C16H13NO5	299.278	6	1	76.07	5	1	0	-1.1959	1.31628	2.56	0.641	49.0514	76.7718	1.9553	251.739060716839
Cond-006714	NPD675	NPD675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.175131349	CCCOc1ccc(cc1OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)OC	InChI=1S/C23H26N2O4/c1-4-11-29-19-10-9-14(12-20(19)27-2)21-22-16(13-18(25-21)23(26)28-3)15-7-5-6-8-17(15)24-22/h5-10,12,18,21,24-25H,4,11,13H2,1-3H3	C23H26N2O4	394.464	6	2	72.58	4	7	0	-1.4057	3.54138000000001	3.33	3.986	52.6319	114.5767	3.0053	360.301027904713
Cond-006715	NPD6750	NPD6750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.7330064024	COc1ccc(cc1OC)c1c2n(ccc3cc(OC)c(OC)cc23)c(C(=O)c2ccco2)c1C	InChI=1S/C28H25NO6/c1-16-25(18-8-9-20(31-2)22(14-18)32-3)27-19-15-24(34-5)23(33-4)13-17(19)10-11-29(27)26(16)28(30)21-7-6-12-35-21/h6-15H,1-5H3	C28H25NO6	471.501	7	0	71.54	5	7	0	0.030099999999998	5.66271000000001	3.77	4.406	44.6284	136.233	3.4468	408.662350723002
Cond-006716	NPD6751	NPD6751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.5621849884	Fc1ccc(CNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc3c(OCO3)cc2)cc1	InChI=1S/C26H18FN3O3/c27-17-8-5-15(6-9-17)13-28-26(31)21-12-19-18-3-1-2-4-20(18)29-25(19)24(30-21)16-7-10-22-23(11-16)33-14-32-22/h1-12,29H,13-14H2,(H,28,31)	C26H18FN3O3	439.438	6	2	76.24	6	5	1	-0.8666	5.68746000000001	3.55	5.508	23.7983	130.4537	3.05460000000001	360.767863234625
Cond-006717	NPD6752	NPD6752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.1142896063	O=C(NCc1cccs1)c1cc2c([nH]c3ccccc23)c(n1)c1cc2c(OCO2)cc1	InChI=1S/C24H17N3O3S/c28-24(25-12-15-4-3-9-31-15)19-11-17-16-5-1-2-6-18(16)26-23(17)22(27-19)14-7-8-20-21(10-14)30-13-29-20/h1-11,26H,12-13H2,(H,25,28)	C24H17N3O3S	427.475	6	2	104.48	6	5	0	-0.7557	5.12216	3.33	4.872	30.7193	125.1907	2.9616	341.253817890985
Cond-006718	NPD6753	NPD6753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9589974118	COc1cccc(NC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc3c(OCO3)cc2)c1	InChI=1S/C26H19N3O4/c1-31-17-6-4-5-16(12-17)27-26(30)21-13-19-18-7-2-3-8-20(18)28-25(19)24(29-21)15-9-10-22-23(11-15)33-14-32-22/h2-13,28H,14H2,1H3,(H,27,30)	C26H19N3O4	437.447	7	2	85.47	6	5	1	-1.4097	6.81885000000001	3.55	5.162	25.5294	134.8297	3.09560000000001	363.49053108488
Cond-006719	NPD6754	NPD6754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2750306498	COc1c(OC)cc2C(=C)N(CCc2c1)C(=O)c1cc(C)ccc1	InChI=1S/C20H21NO3/c1-13-6-5-7-16(10-13)20(22)21-9-8-15-11-18(23-3)19(24-4)12-17(15)14(21)2/h5-7,10-12H,2,8-9H2,1,3-4H3	C20H21NO3	323.386	4	0	38.77	3	4	0	0.431500000000001	3.1867	3.22	4.672	46.2141	95.3620000000001	2.5327	311.882545819185
Cond-006720	NPD6756	NPD6756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7088952459	CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CC(=O)O)C(=O)O	InChI=1S/C22H37N3O8/c1-12(2)17(25-21(32)33-22(3,4)5)19(29)23-11-13-6-8-14(9-7-13)18(28)24-15(20(30)31)10-16(26)27/h12-15,17H,6-11H2,1-5H3,(H,23,29)(H,24,28)(H,25,32)(H,26,27)(H,30,31)/t13-,14-,15-,17-/m0/s1	C22H37N3O8	471.544	11	5	171.13	1	15	2	0.0770999999999982	1.10039	2.67	1.213	112.0213	121.1267	3.6538	466.841462494058
Cond-006721	NPD6757	NPD6757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1557008582	CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C24H43N3O6S/c1-15(2)13-19(27-23(32)33-24(3,4)5)21(29)25-14-16-7-9-17(10-8-16)20(28)26-18(22(30)31)11-12-34-6/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t16-,17-,18-,19-/m0/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.954199999999999	2.76889	3	3.847	125.8186	136.4899	4.0247	504.99846110307
Cond-006722	NPD6758	NPD6758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.4395858875	N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C22H31N3O4/c23-18(13-15-5-2-1-3-6-15)20(26)24-14-16-8-10-17(11-9-16)21(27)25-12-4-7-19(25)22(28)29/h1-3,5-6,16-19H,4,7-14,23H2,(H,24,26)(H,28,29)/t16-,17-,18-,19-/m0/s1	C22H31N3O4	401.499	7	4	112.73	3	9	0	-2.4923	1.78849	3.11	1.018	77.3146	112.1929	3.1588	393.431179589414
Cond-006723	NPD6759	NPD6759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.9824274622	[C@H]1(Cc2c([nH]c3ccccc23)C(N1C(=O)Nc1c(cccc1)C(=O)OC)c1c(OC)ccc(OC)c1)C(=O)OC	InChI=1S/C30H29N3O7/c1-37-17-13-14-25(38-2)21(15-17)27-26-20(18-9-5-7-11-22(18)31-26)16-24(29(35)40-4)33(27)30(36)32-23-12-8-6-10-19(23)28(34)39-3/h5-15,24,27,31H,16H2,1-4H3,(H,32,36)/t24-,27?/m0/s1	C30H29N3O7	543.567	10	2	119.19	5	10	1	-1.2744	4.78228000000001	3.66	5.403	63.4371	152.9517	3.94390000000001	482.30160839083
Cond-006724	NPD676	NPD676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.61516847	CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CC/C(=N\O)/C(C)(C)C6CC[C@@]45C)C2C1OC3=O	InChI=1S/C30H47NO3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)34-24(30)32)8-9-20-27(5)12-11-21(31-33)26(3,4)19(27)10-13-29(20,28)7/h18-20,22-23,33H,8-17H2,1-7H3/b31-21+/t18?,19?,20?,22?,23?,27-,28+,29+,30?/m0/s1	C30H47NO3	469.699	4	1	58.89	6	0	1	2.7574	7.46739000000001	4.32	8.481	134.6104	136.7905	3.8739	485.391768180253
Cond-006725	NPD6760	NPD6760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.521046179	CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O	InChI=1S/C15H20N2O3S/c1-21-7-6-12(15(19)20)17-14(18)13-8-10-4-2-3-5-11(10)9-16-13/h2-5,12-13,16H,6-9H2,1H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1	C15H20N2O3S	308.396	5	3	103.73	2	7	0	-1.1187	0.917789999999999	2.45	2.723	55.298	85.8262	2.3291	286.074241758817
Cond-006726	NPD6761	NPD6761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7508513826	COc1c(OC)cc(CCNC(=O)c2c(C)c3c(CC(C)(C)CC3O)o2)cc1	InChI=1S/C22H29NO5/c1-13-19-15(24)11-22(2,3)12-18(19)28-20(13)21(25)23-9-8-14-6-7-16(26-4)17(10-14)27-5/h6-7,10,15,24H,8-9,11-12H2,1-5H3,(H,23,25)	C22H29NO5	387.469	6	2	80.93	3	7	0	0.803799999999999	2.91121	3.22	3.359	67.5655	109.6655	3.0179	369.327885873641
Cond-006727	NPD6762	NPD6762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.8573763792	C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34/C=N/NCc3ccccc3)C1(O)CCC2C1=CC(=O)OC1	InChI=1S/C30H40N2O5/c1-27-11-8-24-25(30(27,36)14-10-23(27)21-15-26(34)37-18-21)9-13-29(35)16-22(33)7-12-28(24,29)19-32-31-17-20-5-3-2-4-6-20/h2-6,15,19,22-25,31,33,35-36H,7-14,16-18H2,1H3/b32-19+/t22?,23?,24?,25?,27-,28+,29?,30?/m1/s1	C30H40N2O5	508.649	7	4	111.38	6	5	1	-1.5566	3.29548000000001	3.99	5.082	111.5399	141.5021	3.9191	492.523146986342
Cond-006728	NPD6763	NPD6763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	71.5542841575	C[C@H]1O[C@H](CC2OC(C)(C)OC12)OC1CC[C@]2(C=O)C3CC[C@]4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	InChI=1S/C32H46O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,17-18,20-24,26-27,35-36H,5-12,14-16H2,1-4H3/t18-,20?,21?,22?,23?,24?,26+,27?,29-,30+,31?,32?/m1/s1	C32H46O9	574.702	9	2	120.75	7	4	0	-1.5952	3.73758000000001	3.99	3.155	142.4619	148.1916	4.2565	546.735420025585
Cond-006729	NPD6764	NPD6764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.4805884757	COc1c(OC)cc2NC[C@@H](Cc2c1)C(=O)O	InChI=1S/C12H15NO4/c1-16-10-4-7-3-8(12(14)15)6-13-9(7)5-11(10)17-2/h4-5,8,13H,3,6H2,1-2H3,(H,14,15)/t8-/m1/s1	C12H15NO4	237.252	5	2	67.79	2	3	0	-0.5757	2.20658	2.23	0.944	38.2393	66.3515	1.7448	216.107189016811
Cond-006730	NPD6765	NPD6765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.0442718976	CN1C(=O)C(O)(c2c1ccc(Cl)c2)c1c(C)[nH]c2c1cccc2	InChI=1S/C18H15ClN2O2/c1-10-16(12-5-3-4-6-14(12)20-10)18(23)13-9-11(19)7-8-15(13)21(2)17(18)22/h3-9,20,23H,1-2H3	C18H15ClN2O2	326.777	4	2	56.33	4	1	0	-0.5143	3.28151	2.89	3.367	32.6539	93.7608	2.3058	271.45171914469
Cond-006731	NPD6766	NPD6766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8402125051	CCC(C)[C@H](NC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)C(=O)O	InChI=1S/C19H26N2O6/c1-7-10(2)14(19(23)24)20-18(22)12-8-11-9-13(25-4)16(26-5)17(27-6)15(11)21(12)3/h8-10,14H,7H2,1-6H3,(H,20,22)(H,23,24)/t10?,14-/m0/s1	C19H26N2O6	378.42	8	2	99.02	2	9	0	-1.1749	3.57307	2.67	1.693	65.8713	107.265	2.8623	349.583377605569
Cond-006732	NPD6768	NPD6768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.4593683753	CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(Cl)cc2c(oc(=O)c(C)c2C)c1	InChI=1S/C21H26ClNO6/c1-10(2)17(23-20(26)29-21(5,6)7)19(25)28-16-9-15-13(8-14(16)22)11(3)12(4)18(24)27-15/h8-10,17H,1-7H3,(H,23,26)/t17-/m1/s1	C21H26ClNO6	423.887	7	1	90.93	2	8	0	3.2881	5.10667000000001	2.89	4.435	82.9655	115.9617	3.1237	396.653195718769
Cond-006733	NPD6769	NPD6769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.2599880415	[C@H]1(Cc2ccccc2CN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)OC	InChI=1S/C22H24N2O5/c1-28-20(25)18(12-15-8-4-3-5-9-15)23-22(27)24-14-17-11-7-6-10-16(17)13-19(24)21(26)29-2/h3-11,18-19H,12-14H2,1-2H3,(H,23,27)/t18-,19-/m0/s1	C22H24N2O5	396.436	7	1	84.94	3	9	1	-0.7831	1.97459	3.11	5.537	55.008	108.4617	2.9887	372.415269979408
Cond-006734	NPD677	NPD677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1275740585	CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C(=O)O	InChI=1S/C20H18N2O5/c1-3-27-20(25)15-11-21-16-9-8-12(26-2)10-14(16)18(15)22-17-7-5-4-6-13(17)19(23)24/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)	C20H18N2O5	366.367	7	2	97.75	3	7	0	-0.4504	4.83557	2.89	4.352	34.1173	105.241	2.6639	324.286842026874
Cond-006735	NPD6770	NPD6770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3414687177	[C@@H]12CC(=O)N1[C@@H](C(=O)ON1C(=O)CCC1=O)C(C)(C)S2(=O)=O	InChI=1S/C12H14N2O7S/c1-12(2)10(13-8(17)5-9(13)22(12,19)20)11(18)21-14-6(15)3-4-7(14)16/h9-10H,3-5H2,1-2H3/t9-,10+/m1/s1	C12H14N2O7S	330.314	9	0	126.51	3	3	0	-1.2358	-0.36991	1.68	-2.101	68.6737	73.553	2.0756	270.527194683461
Cond-006736	NPD6771	NPD6771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.636299397	CC(=CCC/C(=C/COc1cc2c(cc1)cc(c(=O)o2)c1ccc2ccccc2n1)/C)C	InChI=1S/C28H27NO3/c1-19(2)7-6-8-20(3)15-16-31-23-13-11-22-17-24(28(30)32-27(22)18-23)26-14-12-21-9-4-5-10-25(21)29-26/h4-5,7,9-15,17-18H,6,8,16H2,1-3H3/b20-15+	C28H27NO3	425.519	4	0	48.42	4	7	1	2.827	7.46654000000001	4.1	7.988	65.742	133.559	3.3793	416.448129322119
Cond-006737	NPD6772	NPD6772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.9244442029	COc1cc2c(CN(CC(=O)c3cc4c(OCC(=O)N4)cc3)CC2)cc1OC	InChI=1S/C21H22N2O5/c1-26-19-8-13-5-6-23(10-15(13)9-20(19)27-2)11-17(24)14-3-4-18-16(7-14)22-21(25)12-28-18/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,22,25)	C21H22N2O5	382.41	7	1	77.1	4	5	0	-1.2679	2.77018	3	1.311	54.9364	106.1542	2.7822	345.399285353541
Cond-006738	NPD6773	NPD6773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.3792466163	CCOc1c(/C=C/C(=O)N2CCc3c(C2)cc(OC)c(OC)c3)cc2OC(C)Cc2c1	InChI=1S/C25H29NO5/c1-5-30-21-13-19-10-16(2)31-22(19)12-18(21)6-7-25(27)26-9-8-17-11-23(28-3)24(29-4)14-20(17)15-26/h6-7,11-14,16H,5,8-10,15H2,1-4H3/b7-6+	C25H29NO5	423.501	6	0	57.23	4	7	0	0.00929999999999986	4.23647000000001	3.55	3.626	73.5835	122.592	3.246	403.586463648841
Cond-006739	NPD6774	NPD6774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.5757460456	CCOc1ccc(CC2(CN3CC4C[C@H](C3)c3cccc(=O)n3C4)C(=O)OC(C)(C)OC2=O)cc1	InChI=1S/C27H32N2O6/c1-4-33-21-10-8-18(9-11-21)13-27(24(31)34-26(2,3)35-25(27)32)17-28-14-19-12-20(16-28)22-6-5-7-23(30)29(22)15-19/h5-11,19-20H,4,12-17H2,1-3H3/t19?,20-/m1/s1	C27H32N2O6	480.553	8	0	85.38	5	6	0	-0.517500000000003	2.77057	3.55	3.246	105.0616	129.687	3.5777	456.508961108503
Cond-006740	NPD6775	NPD6775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.972767299	COC(=O)c1ccc(OCc2c(OC)ccc(C=O)c2)cc1	InChI=1S/C17H16O5/c1-20-16-8-3-12(10-18)9-14(16)11-22-15-6-4-13(5-7-15)17(19)21-2/h3-10H,11H2,1-2H3	C17H16O5	300.306	5	0	61.83	2	7	0	-0.3755	3.55848	2.78	3.392	31.9294	87.1485	2.2362	278.93474383534
Cond-006741	NPD6776	NPD6776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.19057455	Oc1ccc2ncn(CC=C)c(=O)c2c1CC=C	InChI=1S/C14H14N2O2/c1-3-5-10-12(17)7-6-11-13(10)14(18)16(8-4-2)9-15-11/h3-4,6-7,9,17H,1-2,5,8H2	C14H14N2O2	242.273	4	1	52.9	2	4	0	0.6185	2.14076	2.56	2.048	47.3183	74.6898	1.88	236.206088973189
Cond-006742	NPD6777	NPD6777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.2588465511	C[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1CN(=O)=O	InChI=1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6-,7+/m1/s1	C9H13NO5	215.203	6	1	97.51	1	4	0	-0.3039	0.67199	1.79	0.115	45.0388	54.9988	1.5324	198.902379241372
Cond-006743	NPD6778	NPD6778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.516497255	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)Cc1ccc(Cl)cc1)ncc2	InChI=1S/C28H27ClN2O5/c1-33-24-13-18-9-10-30-23(21(18)15-26(24)35-3)12-19-14-25(34-2)27(36-4)16-22(19)31-28(32)11-17-5-7-20(29)8-6-17/h5-10,13-16H,11-12H2,1-4H3,(H,31,32)	C28H27ClN2O5	506.977	7	1	78.91	4	10	0	0.2583	6.80088	3.66	4.81	51.6241	144.7567	3.7189	449.336410701841
Cond-006744	NPD678	NPD678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6065201692	COc1cc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc(OC)c1OC	InChI=1S/C27H26O6/c1-17-21-11-10-20(32-16-19-13-24(29-2)26(31-4)25(14-19)30-3)15-23(21)33-27(28)22(17)12-18-8-6-5-7-9-18/h5-11,13-15H,12,16H2,1-4H3	C27H26O6	446.492	6	0	63.22	4	8	1	0.7858	5.43907	3.77	6.608	52.5519	128.733	3.3577	417.162523290569
Cond-006745	NPD6780	NPD6780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.1652443333	COc1cc2c(cc1OC)C1N(CCC1(O)c1ccc(F)cc1)CC2	InChI=1S/C20H22FNO3/c1-24-17-11-13-7-9-22-10-8-20(23,14-3-5-15(21)6-4-14)19(22)16(13)12-18(17)25-2/h3-6,11-12,19,23H,7-10H2,1-2H3	C20H22FNO3	343.392	4	1	41.93	4	3	0	-0.4155	2.01249	3.11	3.028	43.4554	93.0568000000001	2.5278	310.866563370291
Cond-006746	NPD6781	NPD6781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9809208023	Cc1c(CCC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)ccc12	InChI=1S/C20H24N2O5/c1-13-15-6-5-14(23)12-17(15)27-20(26)16(13)7-8-18(24)21-9-3-11-22-10-2-4-19(22)25/h5-6,12,23H,2-4,7-11H2,1H3,(H,21,24)	C20H24N2O5	372.415	7	2	95.94	3	8	0	-1.5116	2.54557	2.89	0.913	71.0434	103.2525	2.7929	353.996218129274
Cond-006747	NPD6782	NPD6782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4276240691	COC(=O)C(CCSC)NC(=O)NC(C)C	InChI=1S/C10H20N2O3S/c1-7(2)11-10(14)12-8(5-6-16-4)9(13)15-3/h7-8H,5-6H2,1-4H3,(H2,11,12,14)	C10H20N2O3S	248.342	5	2	92.73	0	9	0	-0.3049	0.58669	1.9	1.433	61.5631	68.4604	1.9708	243.116612133483
Cond-006748	NPD6783	NPD6783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1242050334	COC(=O)C(CCSC)NC(=O)NCCc1ccc(OC)cc1	InChI=1S/C16H24N2O4S/c1-21-13-6-4-12(5-7-13)8-10-17-16(20)18-14(9-11-23-3)15(19)22-2/h4-7,14H,8-11H2,1-3H3,(H2,17,18,20)	C16H24N2O4S	340.438	6	2	101.96	1	12	1	-0.141699999999998	1.42959	2.45	2.739	62.8476	94.8894	2.6373	324.516911786046
Cond-006749	NPD6784	NPD6784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.8791650813	Clc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCc1ccccc1	InChI=1S/C26H20ClN3O/c27-21-12-6-4-11-19(21)24-25-20(18-10-5-7-13-22(18)29-25)16-23(30-24)26(31)28-15-14-17-8-2-1-3-9-17/h1-13,16,29H,14-15H2,(H,28,31)	C26H20ClN3O	425.909	4	2	57.78	5	6	1	-0.0437000000000001	6.35427	3.77	8.23	25.5211	132.9447	3.15050000000001	364.68737745443
Cond-006750	NPD6785	NPD6785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.9027015274	Clc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCN1CCOCC1	InChI=1S/C25H25ClN4O2/c26-20-8-3-1-7-18(20)23-24-19(17-6-2-4-9-21(17)28-24)16-22(29-23)25(31)27-10-5-11-30-12-14-32-15-13-30/h1-4,6-9,16,28H,5,10-15H2,(H,27,31)	C25H25ClN4O2	448.945	6	2	70.25	5	7	0	-0.6702	4.83387000000001	3.44	4.353	52.059	134.6747	3.2971	385.987755839691
Cond-006751	NPD6786	NPD6786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.0608794912	Clc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1cccnc1	InChI=1S/C24H17ClN4O/c25-19-9-3-1-8-17(19)22-23-18(16-7-2-4-10-20(16)28-23)12-21(29-22)24(30)27-14-15-6-5-11-26-13-15/h1-13,28H,14H2,(H,27,30)	C24H17ClN4O	412.871	5	2	70.67	5	5	1	-0.2993	5.36727	3.44	5.421	21.0693	125.1167	2.9685	341.092168410863
Cond-006752	NPD6787	NPD6787	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.2361254552	CSCCC[C@@H]1NC(=O)N(C1=O)c1cc2c(NC(O2)c2ccncc2)cc1	InChI=1S/C19H20N4O3S/c1-27-10-2-3-15-18(24)23(19(25)22-15)13-4-5-14-16(11-13)26-17(21-14)12-6-8-20-9-7-12/h4-9,11,15,17,21H,2-3,10H2,1H3,(H,22,25)/t15-,17?/m0/s1	C19H20N4O3S	384.452	7	2	108.86	4	6	0	-1.2221	3.43747	2.67	3.199	50.3291	109.6534	2.7461	333.729407174618
Cond-006753	NPD6788	NPD6788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.2343316845	CC(CP(=O)(O)C(N)c1ccccc1)C(=O)O	InChI=1S/C11H16NO4P/c1-8(11(13)14)7-17(15,16)10(12)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H,15,16)	C11H16NO4P	257.223	5	4	110.43	1	5	0	-0.5712	1.29969	2.01	1.257	32.2517	63.0405	1.9171	230.994916499745
Cond-006754	NPD6789	NPD6789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.5509050389	NC(CCP(=O)(O)CCc1ccccc1)C(=O)O	InChI=1S/C12H18NO4P/c13-11(12(14)15)7-9-18(16,17)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,15)(H,16,17)	C12H18NO4P	271.249	5	4	110.43	1	7	0	-2.368	1.59208	2.12	0.202	31.6971	69.3795	2.058	248.290901125611
Cond-006755	NPD679	NPD679	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	108.836360947	CCC(=O)c1c2oc(=O)cc(C)c2ccc1OC(=O)c1c(Cl)cccc1	InChI=1S/C20H15ClO5/c1-3-15(22)18-16(25-20(24)13-6-4-5-7-14(13)21)9-8-12-11(2)10-17(23)26-19(12)18/h4-10H,3H2,1-2H3	C20H15ClO5	370.783	5	0	69.67	3	5	0	1.1919	5.52696	3	4.509	48.5184	103.063	2.5867	328.404389380974
Cond-006756	NPD6790	NPD6790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.9096591836	[C@@H](N)(Cc1ccc(O)c(c1)N(=O)=O)C(=O)O	InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m1/s1	C9H10N2O5	226.186	7	4	126.69	1	4	0	-0.8846	0.71828	1.68	-0.832	26.0842	61.6122	1.5462	193.726222047939
Cond-006757	NPD6792	NPD6792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4070228842	C[C@@H]1CCC2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]21CCC1(CCOC1)O2	InChI=1S/C20H34O4/c1-14-4-5-15-17(2,12-21)16(22)6-7-18(15,3)20(14)9-8-19(24-20)10-11-23-13-19/h14-16,21-22H,4-13H2,1-3H3/t14-,15?,16+,17-,18+,19?,20+/m1/s1	C20H34O4	338.482	4	2	58.92	4	1	0	-0.758499999999999	2.9004	3.22	2.958	87.5639	91.6456000000001	2.727	340.21122321718
Cond-006758	NPD6793	NPD6793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0581616568	COc1cc2c(CN(CC2)C(=O)Cn2ccccc2=O)cc1OC	InChI=1S/C18H20N2O4/c1-23-15-9-13-6-8-20(11-14(13)10-16(15)24-2)18(22)12-19-7-4-3-5-17(19)21/h3-5,7,9-10H,6,8,11-12H2,1-2H3	C18H20N2O4	328.362	6	0	59.08	3	5	0	-0.988300000000002	1.24737	2.78	0.567	67.7566	90.607	2.4524	310.614022176979
Cond-006759	NPD6794	NPD6794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5577539816	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)O	InChI=1S/C17H22N2O5/c1-9(2)14(17(21)22)18-16(20)11-8-10-12(23-4)6-7-13(24-5)15(10)19(11)3/h6-9,14H,1-5H3,(H,18,20)(H,21,22)/t14-/m0/s1	C17H22N2O5	334.367	7	2	89.79	2	7	0	-0.4469	3.17437	2.56	1.568	55.4777	96.0960000000001	2.5218	306.201181653274
Cond-006760	NPD6795	NPD6795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.7347393597	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(C)O)C(=O)O	InChI=1S/C22H39N3O7S/c1-13(26)17(20(29)30)25-18(27)15-8-6-14(7-9-15)12-23-19(28)16(10-11-33-5)24-21(31)32-22(2,3)4/h13-17,26H,6-12H2,1-5H3,(H,23,28)(H,24,31)(H,25,27)(H,29,30)/t13?,14-,15-,16-,17-/m0/s1	C22H39N3O7S	489.626	10	5	179.36	1	16	1	-0.333700000000003	1.10359	2.67	1.74	118.9602	128.7157	3.8016	479.196718551897
Cond-006761	NPD6796	NPD6796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3080393542	CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)N)C(=O)O	InChI=1S/C23H40N4O7S/c1-23(2,3)34-22(33)27-16(11-12-35-4)20(30)25-13-14-5-7-15(8-6-14)19(29)26-17(21(31)32)9-10-18(24)28/h14-17H,5-13H2,1-4H3,(H2,24,28)(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t14-,15-,16-,17-/m0/s1	C23H40N4O7S	516.651	11	6	202.22	1	18	2	-0.762300000000005	0.988290000000001	2.67	1.159	122.0013	135.4633	3.9993	504.853004685131
Cond-006762	NPD6797	NPD6797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5376420068	CCC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C33H43N3O6/c1-6-22(2)27(29(38)39)34-30(40)33(25-14-8-7-9-15-25)16-18-35(19-17-33)28(37)26-20-23-12-10-11-13-24(23)21-36(26)31(41)42-32(3,4)5/h7-15,22,26-27H,6,16-21H2,1-5H3,(H,34,40)(H,38,39)/t22?,26-,27-/m0/s1	C33H43N3O6	577.711	9	2	116.25	4	12	2	-0.738700000000001	3.78279000000001	4.1	7.431	104.9129	160.7645	4.5455	567.465170371069
Cond-006763	NPD6798	NPD6798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8946023808	CC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C26H37N3O6S/c1-17(2)20(22(31)32)27-23(33)26(18-9-7-6-8-10-18)11-13-28(14-12-26)21(30)19-15-36-16-29(19)24(34)35-25(3,4)5/h6-10,17,19-20H,11-16H2,1-5H3,(H,27,33)(H,31,32)/t19-,20+/m1/s1	C26H37N3O6S	519.653	9	2	141.55	3	11	1	0.471199999999995	2.68019	3.22	4.52	108.9971	140.3785	3.9603	496.068136850803
Cond-006764	NPD6799	NPD6799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.5831929119	CC(O)[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C25H35N3O7S/c1-16(29)19(21(31)32)26-22(33)25(17-8-6-5-7-9-17)10-12-27(13-11-25)20(30)18-14-36-15-28(18)23(34)35-24(2,3)4/h5-9,16,18-19,29H,10-15H2,1-4H3,(H,26,33)(H,31,32)/t16?,18-,19+/m1/s1	C25H35N3O7S	521.626	10	3	161.78	3	11	1	-0.5611	1.40499	3	3.193	106.5905	137.2213	3.8781	487.562378925497
Cond-006765	NPD68	NPD68	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1997534482	CN(C)c1ccc(cc1)C1OC(C)(C)[C@@H]2CCC(=C)[C@H]1C2.CN(C)c1ccc(cc1)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2	InChI=1S/2C19H27NO/c2*1-13-6-9-15-12-17(13)18(21-19(15,2)3)14-7-10-16(11-8-14)20(4)5/h6-8,10-11,15,17-18H,9,12H2,1-5H3;7-8,10-11,15,17-18H,1,6,9,12H2,2-5H3/t2*15-,17-,18?/m11/s1	C38H54N2O2	570.848	2	0	12.47	3	2	0	0.887499999999999	4.16009	3.33	4.082	61.7917	87.5970000000001	2.4464	298.451942595396
Cond-006766	NPD680	NPD680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1058914504	CC(Oc1c2c(oc(=O)c(Cc3ccccc3)c2C)cc(C)c1)C(=O)c1ccccc1	InChI=1S/C27H24O4/c1-17-14-23(30-19(3)26(28)21-12-8-5-9-13-21)25-18(2)22(27(29)31-24(25)15-17)16-20-10-6-4-7-11-20/h4-15,19H,16H2,1-3H3	C27H24O4	412.477	4	0	52.6	4	6	1	1.202	5.85199	3.99	8.907	45.9619	123.5615	3.1973	396.945611188647
Cond-006767	NPD6800	NPD6800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5911833451	CCC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C27H39N3O6S/c1-6-18(2)21(23(32)33)28-24(34)27(19-10-8-7-9-11-19)12-14-29(15-13-27)22(31)20-16-37-17-30(20)25(35)36-26(3,4)5/h7-11,18,20-21H,6,12-17H2,1-5H3,(H,28,34)(H,32,33)/t18?,20-,21+/m1/s1	C27H39N3O6S	533.68	9	2	141.55	3	12	2	-0.205000000000005	3.07029	3.33	5.089	112.0749	144.9955	4.1012	513.36412147667
Cond-006768	NPD6801	NPD6801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.5721585041	CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(CC1)(C(=O)N[C@@H](CC(=O)N)C(=O)O)c1ccccc1	InChI=1S/C25H34N4O7S/c1-24(2,3)36-23(35)29-15-37-14-18(29)20(31)28-11-9-25(10-12-28,16-7-5-4-6-8-16)22(34)27-17(21(32)33)13-19(26)30/h4-8,17-18H,9-15H2,1-3H3,(H2,26,30)(H,27,34)(H,32,33)/t17-,18+/m0/s1	C25H34N4O7S	534.625	11	4	184.64	3	12	2	-0.701700000000001	1.53549	2.89	2.254	106.72	139.7409	3.9349	495.922680432864
Cond-006769	NPD6802	NPD6802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.3865304126	CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(CC1)(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1	InChI=1S/C30H37N3O6S/c1-29(2,3)39-28(38)33-20-40-19-24(33)25(34)32-16-14-30(15-17-32,22-12-8-5-9-13-22)27(37)31-23(26(35)36)18-21-10-6-4-7-11-21/h4-13,23-24H,14-20H2,1-3H3,(H,31,37)(H,35,36)/t23-,24+/m0/s1	C30H37N3O6S	567.696	9	2	141.55	4	12	2	-0.0393000000000012	3.26689	3.66	7.13	99.5947	155.6865	4.2863	534.08624055107
Cond-006770	NPD6804	NPD6804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3414687177	C[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C24H33N3O6S/c1-16(20(29)30)25-21(31)24(17-8-6-5-7-9-17)10-12-26(13-11-24)19(28)18-14-34-15-27(18)22(32)33-23(2,3)4/h5-9,16,18H,10-15H2,1-4H3,(H,25,31)(H,29,30)/t16-,18-/m1/s1	C24H33N3O6S	491.6	9	2	141.55	3	10	0	-0.0504000000000022	2.04409	3	3.865	100.628	131.2145	3.6785	461.476167599069
Cond-006771	NPD6805	NPD6805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5243246181	CC(C)[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C26H37N3O6S/c1-17(2)20(22(31)32)27-23(33)26(18-9-7-6-8-10-18)11-13-28(14-12-26)21(30)19-15-36-16-29(19)24(34)35-25(3,4)5/h6-10,17,19-20H,11-16H2,1-5H3,(H,27,33)(H,31,32)/t19-,20-/m1/s1	C26H37N3O6S	519.653	9	2	141.55	3	11	1	0.471199999999995	2.68019	3.22	4.52	108.9971	140.3785	3.9603	496.068136850803
Cond-006772	NPD6806	NPD6806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8185030168	CC(C)C[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C27H39N3O6S/c1-18(2)15-20(23(32)33)28-24(34)27(19-9-7-6-8-10-19)11-13-29(14-12-27)22(31)21-16-37-17-30(21)25(35)36-26(3,4)5/h6-10,18,20-21H,11-17H2,1-5H3,(H,28,34)(H,32,33)/t20-,21-/m1/s1	C27H39N3O6S	533.68	9	2	141.55	3	12	2	0.726799999999995	3.07029	3.33	5.3	113.4489	144.9955	4.1012	513.36412147667
Cond-006773	NPD6807	NPD6807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.6691851932	CSCC[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C32H41N3O6S/c1-31(2,3)41-30(40)35-21-23-11-9-8-10-22(23)20-26(35)27(36)34-17-15-32(16-18-34,24-12-6-5-7-13-24)29(39)33-25(28(37)38)14-19-42-4/h5-13,25-26H,14-21H2,1-4H3,(H,33,39)(H,37,38)/t25-,26+/m1/s1	C32H41N3O6S	595.749	9	2	141.55	4	13	2	-0.218900000000002	3.48979	3.88	7.178	108.6813	164.3085	4.5681	568.678209802802
Cond-006774	NPD6808	NPD6808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.788443768	CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(CC1)(C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1	InChI=1S/C26H35N3O6S/c1-25(2,3)35-24(34)29-17-36-16-20(29)21(30)27-14-11-26(12-15-27,18-8-5-4-6-9-18)23(33)28-13-7-10-19(28)22(31)32/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,31,32)/t19-,20+/m0/s1	C26H35N3O6S	517.638	9	1	132.76	4	9	0	-0.666100000000002	2.53039	3.22	4.09	105.2647	138.3448	3.8517	483.711678150003
Cond-006775	NPD6809	NPD6809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9468391586	COc1c(OC)cc(CCN2COc3c(Cl)cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1	InChI=1S/C29H28ClNO5/c1-18-21-15-24(30)28-23(27(21)36-29(32)22(18)13-19-7-5-4-6-8-19)16-31(17-35-28)12-11-20-9-10-25(33-2)26(14-20)34-3/h4-10,14-15H,11-13,16-17H2,1-3H3	C29H28ClNO5	505.989	6	0	57.23	5	7	1	1.8678	6.45497	3.88	6.975	67.1476	144.795	3.6944	456.815635119541
Cond-006776	NPD681	NPD681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2298100623	CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(OC)cc3)ccc12	InChI=1S/C22H22O5/c1-3-4-5-16-12-22(24)27-21-13-18(10-11-19(16)21)26-14-20(23)15-6-8-17(25-2)9-7-15/h6-13H,3-5,14H2,1-2H3	C22H22O5	366.407	5	0	61.83	3	8	1	-1.0594	5.00147	3.33	5.031	50.7453	106.6405	2.7891	350.421749563074
Cond-006777	NPD6810	NPD6810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7078327988	CCCCc1cc(=O)oc2c(C)c3c(CN(CCc4cc(F)ccc4)CO3)cc12	InChI=1S/C24H26FNO3/c1-3-4-7-18-13-22(27)29-24-16(2)23-19(12-21(18)24)14-26(15-28-23)10-9-17-6-5-8-20(25)11-17/h5-6,8,11-13H,3-4,7,9-10,14-15H2,1-2H3	C24H26FNO3	395.467	4	0	38.77	4	6	1	0.877200000000002	5.50889000000001	3.55	6.099	60.9042	115.041	3.0054	374.777584472159
Cond-006778	NPD6811	NPD6811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.0590857205	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3CCC(CC3)C(=O)N)ccc12	InChI=1S/C26H28N2O5/c1-16-20-8-9-22(32-15-23(29)28-12-10-19(11-13-28)25(27)30)17(2)24(20)33-26(31)21(16)14-18-6-4-3-5-7-18/h3-9,19H,10-15H2,1-2H3,(H2,27,30)	C26H28N2O5	448.511	7	2	98.93	4	7	0	-0.5973	3.85999000000001	3.55	4.279	69.7086	129.0194	3.4007	426.606291081275
Cond-006779	NPD6812	NPD6812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.742892863	C[C@@H]1NC(=O)N(C1=O)c1ccc2ccc(=O)oc2c1	InChI=1S/C13H10N2O4/c1-7-12(17)15(13(18)14-7)9-4-2-8-3-5-11(16)19-10(8)6-9/h2-7H,1H3,(H,14,18)/t7-/m0/s1	C13H10N2O4	258.229	6	1	75.71	3	1	0	-0.587	1.61547	2.23	1.81	40.6408	70.8327	1.7479	224.134099047645
Cond-006780	NPD6813	NPD6813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.6062401479	CC(C)C[C@@H]1NC(=O)N(C1=O)c1ccc2oc(nc2c1)c1ccncc1	InChI=1S/C19H18N4O3/c1-11(2)9-15-18(24)23(19(25)22-15)13-3-4-16-14(10-13)21-17(26-16)12-5-7-20-8-6-12/h3-8,10-11,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1	C19H18N4O3	350.371	7	1	88.33	4	4	0	-0.233900000000001	3.86546	2.78	3.627	38.5456	103.8667	2.5396	301.683924416218
Cond-006781	NPD6814	NPD6814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.4094145785	COC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(OC)c(OC)c1	InChI=1S/C22H21NO8/c1-12-7-21(25)31-17-8-13(5-6-14(12)17)30-11-20(24)23-16-10-19(28-3)18(27-2)9-15(16)22(26)29-4/h5-10H,11H2,1-4H3,(H,23,24)	C22H21NO8	427.404	9	1	109.39	3	9	0	-0.366700000000001	3.98226	2.89	2.716	61.0598	115.2232	3.022	385.152731172124
Cond-006782	NPD6816	NPD6816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4608903626	[C@H]12CCCCN1CCC[C@H]2COc1ncccc1	InChI=1S/C15H22N2O/c1-3-9-16-15(8-1)18-12-13-6-5-11-17-10-4-2-7-14(13)17/h1,3,8-9,13-14H,2,4-7,10-12H2/t13-,14+/m0/s1	C15H22N2O	246.348	3	0	25.36	3	3	0	-1.359	3.13009	2.78	2.948	40.9526	72.7090000000001	2.0256	242.901223000895
Cond-006783	NPD6817	NPD6817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.2840136979	COc1c2ccc(C=O)nc2c(OC)cc1	InChI=1S/C12H11NO3/c1-15-10-5-6-11(16-2)12-9(10)4-3-8(7-14)13-12/h3-7H,1-2H3	C12H11NO3	217.221	4	0	48.42	2	3	0	-0.296	2.43808	2.34	1.968	20.9255	64.297	1.6001	191.14404491465
Cond-006784	NPD6818	NPD6818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.6747295755	Clc1ccccc1/C=C/C(=O)N1CCc2cc3c(OCO3)cc2C1=C	InChI=1S/C20H16ClNO3/c1-13-16-11-19-18(24-12-25-19)10-15(16)8-9-22(13)20(23)7-6-14-4-2-3-5-17(14)21/h2-7,10-11H,1,8-9,12H2/b7-6+	C20H16ClNO3	353.799	4	0	38.77	4	3	0	0.6958	4.50676	3.11	4.555	49.4116	100.682	2.5035	312.100696188018
Cond-006785	NPD6819	NPD6819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.3221177366	CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)O	InChI=1S/C24H43N3O6S/c1-15(2)13-19(27-23(32)33-24(3,4)5)21(29)25-14-16-7-9-17(10-8-16)20(28)26-18(22(30)31)11-12-34-6/h15-19H,7-14H2,1-6H3,(H,25,29)(H,26,28)(H,27,32)(H,30,31)/t16-,17-,18-,19-/m1/s1	C24H43N3O6S	501.68	9	4	159.13	1	17	1	0.954199999999999	2.76889	3	3.847	125.8186	136.4899	4.0247	504.99846110307
Cond-006786	NPD682	NPD682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0726485782	COc1ccc(OCC(=O)N/N=C/2\C(=O)N(CN3CCc4c(cc(OC)c(OC)c4)[C@@H]3C)c3c2cccc3)cc1OC	InChI=1S/C31H34N4O7/c1-19-23-16-28(41-5)26(39-3)14-20(23)12-13-34(19)18-35-24-9-7-6-8-22(24)30(31(35)37)33-32-29(36)17-42-21-10-11-25(38-2)27(15-21)40-4/h6-11,14-16,19H,12-13,17-18H2,1-5H3,(H,32,36)/b33-30-/t19-/m0/s1	C31H34N4O7	574.624	11	1	111.16	5	11	1	-1.6515	3.93728000000001	3.66	4.954	82.5229	161.4127	4.2276	524.130811925664
Cond-006787	NPD6820	NPD6820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1240419634	CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(CC1)(C(=O)N[C@H](CC(=O)N)C(=O)O)c1ccccc1	InChI=1S/C25H34N4O7S/c1-24(2,3)36-23(35)29-15-37-14-18(29)20(31)28-11-9-25(10-12-28,16-7-5-4-6-8-16)22(34)27-17(21(32)33)13-19(26)30/h4-8,17-18H,9-15H2,1-3H3,(H2,26,30)(H,27,34)(H,32,33)/t17-,18-/m1/s1	C25H34N4O7S	534.625	11	4	184.64	3	12	2	-0.701700000000001	1.53549	2.89	2.254	106.72	139.7409	3.9349	495.922680432864
Cond-006788	NPD6821	NPD6821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	105.973800076	Fc1c(CN2COc3ccc4c(oc(=O)c5c4cccc5)c3C2)cccc1	InChI=1S/C22H16FNO3/c23-19-8-4-1-5-14(19)11-24-12-18-20(26-13-24)10-9-16-15-6-2-3-7-17(15)22(25)27-21(16)18/h1-10H,11-13H2	C22H16FNO3	361.366	4	0	38.77	5	2	1	0.2764	4.77148	3.33	5.957	25.3396	104.76	2.529	311.656239118025
Cond-006789	NPD6822	NPD6822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8522585204	COC(=O)C(C)NC(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C15H19N3O3/c1-10(14(19)21-2)18-15(20)16-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H2,16,18,20)	C15H19N3O3	289.33	6	3	83.22	2	8	0	-0.875500000000001	1.09238	2.45	1.866	43.6165	84.3424	2.2224	265.025519208584
Cond-006790	NPD6823	NPD6823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.5665054085	CCOc1ccc(cc1OC)c1nc(cc2c1[nH]c1ccccc21)C(=O)Nc1c(Cl)cccc1	InChI=1S/C27H22ClN3O3/c1-3-34-23-13-12-16(14-24(23)33-2)25-26-18(17-8-4-6-10-20(17)29-26)15-22(30-25)27(32)31-21-11-7-5-9-19(21)28/h4-15,29H,3H2,1-2H3,(H,31,32)	C27H22ClN3O3	471.935	6	2	76.24	5	7	1	-0.164099999999999	7.64146	3.66	6.198	35.2825	142.8247	3.40880000000001	399.563815481419
Cond-006791	NPD6824	NPD6824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.6487470783	Cc1nn(c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1)c1ccc(Br)cc1	InChI=1S/C22H18BrN3O4/c1-13-9-22(28)30-19-11-17(7-8-18(13)19)29-12-21(27)24-20-10-14(2)25-26(20)16-5-3-15(23)4-6-16/h3-11H,12H2,1-2H3,(H,24,27)	C22H18BrN3O4	468.3	7	1	81.93	4	6	0	1.0672	6.04397	3	4.781	51.6694	122.0317	3.0102	365.37604636218
Cond-006792	NPD6825	NPD6825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.6151546448	Cc1nn(c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c1)c1ccccn1	InChI=1S/C26H20N4O4/c1-17-13-24(30(29-17)23-9-5-6-12-27-23)28-25(31)16-33-19-10-11-20-21(18-7-3-2-4-8-18)15-26(32)34-22(20)14-19/h2-15H,16H2,1H3,(H,28,31)	C26H20N4O4	452.461	8	1	94.82	5	7	1	-0.4636	5.70487	3.44	6.619	37.5682	131.9967	3.26100000000001	395.107291293047
Cond-006793	NPD6826	NPD6826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0568570963	Cc1nn(c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c1)c1ccc(Br)cc1	InChI=1S/C27H20BrN3O4/c1-17-13-25(31(30-17)20-9-7-19(28)8-10-20)29-26(32)16-34-21-11-12-22-23(18-5-3-2-4-6-18)15-27(33)35-24(22)14-21/h2-15H,16H2,1H3,(H,29,32)	C27H20BrN3O4	530.369	7	1	81.93	5	7	1	0.4252	7.07237	3.55	7.949	46.1673	141.9017	3.47710000000001	420.690134688313
Cond-006794	NPD6828	NPD6828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7651247486	COc1ccc2n(C)c(cc2c1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C21H27N3O5S/c1-23-16-7-6-14(29-2)11-13(16)12-18(23)19(25)22-15(8-10-30-3)20(26)24-9-4-5-17(24)21(27)28/h6-7,11-12,15,17H,4-5,8-10H2,1-3H3,(H,22,25)(H,27,28)/t15-,17-/m0/s1	C21H27N3O5S	433.521	8	2	126.17	3	10	0	-1.9078	2.75308	2.78	2.251	76.3078	120.379	3.1971	389.897987020908
Cond-006795	NPD6829	NPD6829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3520139153	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1ccco1)(C(C)C)C2O	InChI=1S/C18H28N2O2/c1-12(2)17-8-19-10-18(13(3)4,16(17)21)11-20(9-17)15(19)14-6-5-7-22-14/h5-7,12-13,15-16,21H,8-11H2,1-4H3/t15?,16?,17-,18+	C18H28N2O2	304.427	4	1	39.85	1	3	0	-0.0535999999999988	2.2084	3	3.078	69.1805	86.7948000000001	2.4414	293.859403579057
Cond-006796	NPD683	NPD683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2992347591	COC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)cc(OC)c(OC)c1	InChI=1S/C18H20N2O6/c1-23-12-7-5-11(6-8-12)19-18(22)20-14-10-16(25-3)15(24-2)9-13(14)17(21)26-4/h5-10H,1-4H3,(H2,19,20,22)	C18H20N2O6	360.361	8	2	95.12	2	9	0	-0.771900000000001	3.71148	2.56	2.669	43.8784	99.7854	2.6354	327.014475578101
Cond-006797	NPD6830	NPD6830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4174050117	CC(C)(C)C(=O)NC(CC(=O)C(=O)C(C)(C)C)C(=O)O	InChI=1S/C14H23NO5/c1-13(2,3)10(17)9(16)7-8(11(18)19)15-12(20)14(4,5)6/h8H,7H2,1-6H3,(H,15,20)(H,18,19)	C14H23NO5	285.336	6	2	100.54	0	8	0	1.5879	1.41019	2.34	0.145	71.4784	76.3505000000001	2.3025	295.102302370706
Cond-006798	NPD6831	NPD6831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.5155188346	CN1CCc2c(C1)c(O)nc1nc(N)nc(N)c21	InChI=1S/C11H14N6O/c1-17-3-2-5-6(4-17)10(18)15-9-7(5)8(12)14-11(13)16-9/h2-4H2,1H3,(H5,12,13,14,15,16,18)	C11H14N6O	246.268	7	5	114.18	3	0	0	-1.5658	1.18407	1.9	-1.159	33.4797	72.9128	1.7752	201.531407928495
Cond-006799	NPD6832	NPD6832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0576724466	OC(=O)[C@H]1CC(=O)CC[C@@H]1Cc1ccccc1	InChI=1S/C14H16O3/c15-12-7-6-11(13(9-12)14(16)17)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)/t11-,13+/m1/s1	C14H16O3	232.275	3	1	54.37	2	3	0	-0.308	2.53299	2.67	3.745	37.2945	66.8628	1.8251	228.275712659017
Cond-006800	NPD6833	NPD6833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9818992227	COc1ccc(C=O)cc1CN1CCCCC1c1cnccc1	InChI=1S/C19H22N2O2/c1-23-19-8-7-15(14-22)11-17(19)13-21-10-3-2-6-18(21)16-5-4-9-20-12-16/h4-5,7-9,11-12,14,18H,2-3,6,10,13H2,1H3	C19H22N2O2	310.39	4	0	42.43	3	5	0	-1.1222	3.47319	3.11	3.325	38.0648	93.4350000000001	2.4759	299.429553401724
Cond-006801	NPD6834	NPD6834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4162635212	CSCC[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O	InChI=1S/C26H37N3O6S2/c1-25(2,3)35-24(34)29-17-37-16-20(29)21(30)28-13-11-26(12-14-28,18-8-6-5-7-9-18)23(33)27-19(22(31)32)10-15-36-4/h5-9,19-20H,10-17H2,1-4H3,(H,27,33)(H,31,32)/t19-,20-/m1/s1	C26H37N3O6S2	551.718	9	2	166.85	3	13	1	0.314799999999998	2.77729	3.11	4.836	115.8433	148.5395	4.1238	514.577160908403
Cond-006802	NPD6835	NPD6835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2968418764	COC(=O)[C@H](C)NC(=O)NCc1c(Cl)cccc1	InChI=1S/C12H15ClN2O3/c1-8(11(16)18-2)15-12(17)14-7-9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H2,14,15,17)/t8-/m0/s1	C12H15ClN2O3	270.712	5	2	67.43	1	7	0	0.0335999999999999	0.95919	2.12	2.161	41.4803	70.3994	1.9739	243.24479029485
Cond-006803	NPD6836	NPD6836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.7774093602	COC(=O)[C@H](C)NC(=O)NCc1c(OC)cccc1	InChI=1S/C13H18N2O4/c1-9(12(16)19-3)15-13(17)14-8-10-6-4-5-7-11(10)18-2/h4-7,9H,8H2,1-3H3,(H2,14,15,17)/t9-/m0/s1	C13H18N2O4	266.293	6	2	76.66	1	8	0	-0.7625	0.86989	2.23	1.621	43.1805	74.2684	2.0511	254.119933850845
Cond-006804	NPD6837	NPD6837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0463118987	CSCC[C@H](NC(=O)NC1CC1)C(=O)O	InChI=1S/C9H16N2O3S/c1-15-5-4-7(8(12)13)11-9(14)10-6-2-3-6/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t7-/m0/s1	C9H16N2O3S	232.3	5	3	103.73	1	8	0	-1.2345	0.25229	1.79	0.772	50.8198	61.9662	1.7213	213.464168806817
Cond-006805	NPD6838	NPD6838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.3329890743	COc1cc(CNC(=O)N[C@@H](CC(C)C)C(=O)O)ccc1	InChI=1S/C15H22N2O4/c1-10(2)7-13(14(18)19)17-15(20)16-9-11-5-4-6-12(8-11)21-3/h4-6,8,10,13H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1	C15H22N2O4	294.346	6	3	87.66	1	9	0	-0.236299999999998	1.88809	2.45	2.524	51.2323	81.7312000000001	2.3329	288.711903102579
Cond-006806	NPD684	NPD684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0849102853	O=C(NC1CCCCC1)c1cc2c([nH]c3c2cccc3)c(n1)c1ccccc1	InChI=1S/C24H23N3O/c28-24(25-17-11-5-2-6-12-17)21-15-19-18-13-7-8-14-20(18)26-23(19)22(27-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,26H,2,5-6,11-12H2,(H,25,28)	C24H23N3O	369.459	4	2	57.78	5	4	1	-2.5456	5.79087000000001	3.66	6.696	28.6974	119.7947	2.8753	333.693716534663
Cond-006807	NPD6840	NPD6840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.5531880198	CSCC[C@H](NC(=O)Nc1c(F)cccc1)C(=O)O	InChI=1S/C12H15FN2O3S/c1-19-7-6-10(11(16)17)15-12(18)14-9-5-3-2-4-8(9)13/h2-5,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18)/t10-/m0/s1	C12H15FN2O3S	286.323	5	3	103.73	1	8	0	-0.1284	2.98748	2.01	2.52	42.4712	76.4632	2.0327	252.610305432323
Cond-006808	NPD6841	NPD6841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4063706039	CSCC[C@H](NC(=O)Nc1cc(Cl)c(C)cc1)C(=O)O	InChI=1S/C13H17ClN2O3S/c1-8-3-4-9(7-10(8)14)15-13(19)16-11(12(17)18)5-6-20-2/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1	C13H17ClN2O3S	316.804	5	3	103.73	1	8	0	0.778199999999999	2.8939	2.12	2.769	52.7164	84.7662	2.2783	279.049798978317
Cond-006809	NPD6842	NPD6842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3299450997	C[C@H](NC(=O)Nc1c(cccc1)C(F)(F)F)C(=O)O	InChI=1S/C11H11F3N2O3/c1-6(9(17)18)15-10(19)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m0/s1	C11H11F3N2O3	276.212	5	3	78.43	1	6	0	0.1248	2.84759	1.79	2.915	32.818	63.6702	1.7637	228.940414449469
Cond-006810	NPD6843	NPD6843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4926890254	C[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)O	InChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h3-6,8H,1-2H3,(H,14,15)(H2,12,13,16)/t8-/m0/s1	C11H14N2O3	222.24	5	3	78.43	1	5	0	-0.331299999999999	1.5073	2.12	2.124	31.8855	62.4312	1.7106	210.73773789855
Cond-006811	NPD6844	NPD6844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.199162907	COC(=O)[C@H](C)NC(=O)Nc1cc(Br)ccc1	InChI=1S/C11H13BrN2O3/c1-7(10(15)17-2)13-11(16)14-9-5-3-4-8(12)6-9/h3-7H,1-2H3,(H2,13,14,16)/t7-/m0/s1	C11H13BrN2O3	301.137	5	2	67.43	1	6	0	0.1665	2.33018	2.01	2.345	39.7516	70.8714	1.8856	230.021356876117
Cond-006812	NPD6845	NPD6845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.459585802	COC(=O)[C@H](CCSC)NC(=O)Nc1cc(Br)ccc1	InChI=1S/C13H17BrN2O3S/c1-19-12(17)11(6-7-20-2)16-13(18)15-10-5-3-4-9(14)8-10/h3-5,8,11H,6-7H2,1-2H3,(H2,15,16,18)/t11-/m0/s1	C13H17BrN2O3S	361.255	5	2	92.73	1	9	0	0.5317	3.06338	2.12	3.316	54.9669	88.1964	2.3309	283.12235018545
Cond-006813	NPD6846	NPD6846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.7327825189	C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCC1	InChI=1S/C21H31N3O4S/c1-15-7-9-19(10-8-15)29(27,28)24-13-11-17(12-14-24)21(26)22-16(2)20(25)23-18-5-3-4-6-18/h7-10,16-18H,3-6,11-14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1	C21H31N3O4S	421.554	7	2	103.96	3	8	0	-3.5698	2.4266	2.89	2.706	74.6617	108.5074	3.2244	397.280677721947
Cond-006814	NPD6847	NPD6847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.9849431973	CC(C)CCC(CC(=O)O)c1cc2c(OCO2)cc1	InChI=1S/C15H20O4/c1-10(2)3-4-12(8-15(16)17)11-5-6-13-14(7-11)19-9-18-13/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,16,17)	C15H20O4	264.317	4	1	55.76	2	6	0	0.270300000000002	4.14448	2.67	4.145	45.2148	76.9348000000001	2.0677	256.998382686245
Cond-006815	NPD6848	NPD6848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.4511061586	CC1OC(=O)C2=C1N1CCc3c(cccc3)C1CC12OCCS1	InChI=1S/C18H19NO3S/c1-11-16-15(17(20)22-11)18(21-8-9-23-18)10-14-13-5-3-2-4-12(13)6-7-19(14)16/h2-5,11,14H,6-10H2,1H3	C18H19NO3S	329.413	4	0	64.07	5	0	0	0.1569	2.46758	2.89	3.941	63.5236	90.126	2.3262	289.896059325851
Cond-006816	NPD6849	NPD6849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.0977333261	C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)C=C[C@]4(C)C3CC[C@]12C	InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12?,13?,14?,18-,19+,20+/m1/s1	C20H27ClO2	334.88	2	1	37.3	4	0	0	1.7494	4.69807	3.33	4.675	93.7361	94.7388000000001	2.603	329.932461484091
Cond-006817	NPD685	NPD685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	96.9049829774	C[C@H]1C2[C@H](OC1=O)C1C(=CC(=O)C1=C(C)C[C@@H]2OC(=O)c1ccccc1Br)C	InChI=1S/C22H21BrO5/c1-10-8-15(24)17-11(2)9-16(19-12(3)21(25)28-20(19)18(10)17)27-22(26)13-6-4-5-7-14(13)23/h4-8,12,16,18-20H,9H2,1-3H3/t12-,16-,18?,19?,20+/m0/s1	C22H21BrO5	445.303	5	0	69.67	4	3	0	1.7883	3.83837	3.22	3.388	82.0323	107.932	2.8985	370.885368540641
Cond-006818	NPD6850	NPD6850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.1467087025	C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12?,13?,14?,18-,19+,20+/m1/s1	C20H29ClO2	336.896	2	1	37.3	4	0	0	1.4855	4.99588	3.33	4.207	92.9072	95.1028000000001	2.646	332.568920184891
Cond-006819	NPD6852	NPD6852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.7595803664	CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(=O)O	InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17?,18?,19?,20-,23?,24+,25-/m1/s1	C25H34O6	430.534	6	1	97.74	4	6	0	0.349900000000002	4.27008000000001	3.55	2.851	113.4633	115.9868	3.3339	431.089306243636
Cond-006820	NPD6853	NPD6853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.8187748002	CC(=O)C1CCC2C3CCC4=C/C(=N\OCC(=O)O)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-16-/t17?,18?,19?,20?,22-,23+/m0/s1	C23H33NO4	387.512	5	1	75.96	4	4	1	0.479699999999997	4.92137	3.44	5.046	106.5653	112.0278	3.0775	392.550102499747
Cond-006821	NPD6854	NPD6854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6020546828	OC[C@H]1O[C@H](O)[C@H](NC(=O)CCN2C(=O)c3c(cccc3)C2=O)[C@@H](O)[C@@H]1O	InChI=1S/C17H20N2O8/c20-7-10-13(22)14(23)12(17(26)27-10)18-11(21)5-6-19-15(24)8-3-1-2-4-9(8)16(19)25/h1-4,10,12-14,17,20,22-23,26H,5-7H2,(H,18,21)/t10-,12-,13-,14-,17+/m1/s1	C17H20N2O8	380.349	10	5	156.63	3	6	0	-3.3998	-2.17731	2.23	-0.294	62.4447	91.5789	2.5893	331.115403054157
Cond-006822	NPD6855	NPD6855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.5393814209	CCS(=O)(=O)CCS[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C	InChI=1S/C18H28O11S2/c1-6-31(23,24)8-7-30-18-17(28-13(5)22)16(27-12(4)21)15(26-11(3)20)14(29-18)9-25-10(2)19/h14-18H,6-9H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1	C18H28O11S2	484.538	11	0	182.25	1	14	2	0.00460000000000232	1.55209	2.01	0.905	105.8148	112.029	3.3369	430.692430283774
Cond-006823	NPD6856	NPD6856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.2700440289	CC(=Cc1c(O)n2ccccc2nc1=O)C	InChI=1S/C12H12N2O2/c1-8(2)7-9-11(15)13-10-5-3-4-6-14(10)12(9)16/h3-7,16H,1-2H3	C12H12N2O2	216.236	4	1	52.9	2	1	0	0.783	1.88274	2.34	2.368	62.7637	64.6248	1.6412	215.150578422256
Cond-006824	NPD6857	NPD6857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.030548459	OC(=O)C(=O)CCC(=O)OC/C=C/c1ccccc1	InChI=1S/C14H14O5/c15-12(14(17)18)8-9-13(16)19-10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2,(H,17,18)/b7-4+	C14H14O5	262.258	5	1	80.67	1	8	0	-0.0456999999999998	1.72808	2.45	3.572	42.9862	70.4928	1.9651	252.939707359339
Cond-006825	NPD6858	NPD6858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.7968690547	CCc1cc2c(oc(=O)c(CC)c2C)cc1O	InChI=1S/C14H16O3/c1-4-9-6-11-8(3)10(5-2)14(16)17-13(11)7-12(9)15/h6-7,15H,4-5H2,1-3H3	C14H16O3	232.275	3	1	46.53	2	2	0	0.781	3.97966	2.67	2.92	42.9378	72.666	1.8251	228.275712659017
Cond-006826	NPD6859	NPD6859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.6422786324	CCc1cc2c(oc(=O)c(CC)c2C)cc1OC	InChI=1S/C15H18O3/c1-5-10-7-12-9(3)11(6-2)15(16)18-14(12)8-13(10)17-4/h7-8H,5-6H2,1-4H3	C15H18O3	246.302	3	0	35.53	2	3	0	1.1895	4.41286	2.78	3.439	47.689	77.1950000000001	1.966	245.571697284884
Cond-006827	NPD686	NPD686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.7643903146	COc1ccc(COc2ccc3c(cc(=O)oc3c2C)c2ccccc2)cc1	InChI=1S/C24H20O4/c1-16-22(27-15-17-8-10-19(26-2)11-9-17)13-12-20-21(14-23(25)28-24(16)20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3	C24H20O4	372.413	4	0	44.76	4	5	1	0.5221	5.42089	3.66	7.224	34.4643	112.377	2.8176	347.694116011846
Cond-006828	NPD6860	NPD6860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.2353101049	CC(=CCCC1=CCC2(C)C(C1)C(=O)NN=C2O)C	InChI=1S/C15H22N2O2/c1-10(2)5-4-6-11-7-8-15(3)12(9-11)13(18)16-17-14(15)19/h5,7,12H,4,6,8-9H2,1-3H3,(H,16,18)(H,17,19)	C15H22N2O2	262.347	4	2	61.69	2	3	0	2.1999	3.06076	2.67	3.311	75.6897	79.3035000000001	2.1499	272.311449701456
Cond-006829	NPD6861	NPD6861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.6591292058	CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C13H19N3O3S/c1-14(2)20(18,19)15-7-10-6-11(9-15)12-4-3-5-13(17)16(12)8-10/h3-5,10-11H,6-9H2,1-2H3/t10-,11+/m1/s1	C13H19N3O3S	297.373	6	0	69.31	3	2	0	-2.0109	0.0650700000000001	2.12	-0.851	76.9739	72.003	2.1245	266.29549141605
Cond-006830	NPD6862	NPD6862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	18.1551339892	CC1C=C(C)C2[C@H](C)C1(CO)COC2=C(C)C	InChI=1S/C15H24O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,11-13,16H,7-8H2,1-5H3/t11?,12-,13?,15?/m0/s1	C15H24O2	236.35	2	1	29.46	2	1	0	1.1985	2.98988	2.89	2.31	71.1099	68.8798	2.0363	255.590846686722
Cond-006831	NPD6864	NPD6864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8296894583	Oc1ccc(/C=C/C(=O)NC(=O)c2c(O)cccc2)cc1O	InChI=1S/C16H13NO5/c18-12-4-2-1-3-11(12)16(22)17-15(21)8-6-10-5-7-13(19)14(20)9-10/h1-9,18-20H,(H,17,21,22)/b8-6+	C16H13NO5	299.278	6	4	106.86	2	5	0	-1.7781	1.82438	2.56	3.6	30.3203	81.5666	2.1521	269.999060716839
Cond-006832	NPD6865	NPD6865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.789026598	COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C)C(=O)NCCC(=O)O	InChI=1S/C18H23N3O6/c1-11(17(25)19-8-7-16(23)24)20-18(26)12-9-15(22)21(10-12)13-3-5-14(27-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)(H,20,26)(H,23,24)/t11-,12?/m0/s1	C18H23N3O6	377.392	9	3	125.04	2	10	0	-2.3537	0.904680000000001	2.45	-0.202	68.2255	99.9882	2.7782	351.547694487069
Cond-006833	NPD6866	NPD6866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.2718284362	OC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1c1c(cccc1)C2=O	InChI=1S/C26H22N2O5/c29-22(30)13-14-27-26(33)21(15-16-7-2-1-3-8-16)28-25(32)20-12-6-11-19-23(20)17-9-4-5-10-18(17)24(19)31/h1-12,21H,13-15H2,(H,27,33)(H,28,32)(H,29,30)/t21-/m0/s1	C26H22N2O5	442.463	7	3	112.57	4	10	1	-1.8215	3.11229	3.55	5.953	44.8979	126.1002	3.2717	407.796914978874
Cond-006834	NPD6867	NPD6867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.0072413313	CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3c(oc2c1)cccc3	InChI=1S/C23H25NO7S/c1-23(2,3)31-22(28)24-15(9-10-32-4)21(27)29-13-11-16(25)19-18(12-13)30-17-8-6-5-7-14(17)20(19)26/h5-8,11-12,15,25H,9-10H2,1-4H3,(H,24,28)/t15-/m1/s1	C23H25NO7S	459.512	8	2	136.46	3	10	0	0.239699999999999	4.75007000000001	3	4.668	68.5515	127.1812	3.3107	414.80397185583
Cond-006835	NPD6868	NPD6868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.7219050272	Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)O)c(=O)oc1c2C	InChI=1S/C29H27N3O7/c1-14-13-38-26-16(3)27-20(9-19(14)26)15(2)21(29(37)39-27)10-24(33)32-23(28(36)31-12-25(34)35)8-17-11-30-22-7-5-4-6-18(17)22/h4-7,9,11,13,23,30H,8,10,12H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t23-/m0/s1	C29H27N3O7	529.541	10	4	150.73	5	10	0	-0.434100000000002	3.63901	3.55	2.536	74.9972	147.6962	3.803	465.005623764964
Cond-006836	NPD6869	NPD6869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.3024648378	O=C(NCCCc1ccccc1)[C@@H]1Cc2ccccc2CN1	InChI=1S/C19H22N2O/c22-19(20-12-6-9-15-7-2-1-3-8-15)18-13-16-10-4-5-11-17(16)14-21-18/h1-5,7-8,10-11,18,21H,6,9,12-14H2,(H,20,22)/t18-/m0/s1	C19H22N2O	294.391	3	2	41.13	3	6	1	-1.3523	2.34429	3.22	6.101	36.1311	91.0334000000001	2.4172	290.639326701162
Cond-006837	NPD687	NPD687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.51965879	CC(NC(=O)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1ccccc1	InChI=1S/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11?,13-,14+,15?,16-,19-/m1/s1	C21H28N2O7	420.456	9	2	104.35	4	6	0	-2.0768	2.36028	2.78	2.459	77.09	108.6854	3.0286	381.789114857063
Cond-006838	NPD6870	NPD6870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4389360813	CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O	InChI=1S/C15H20N2O3/c1-9(2)13(15(19)20)17-14(18)12-7-10-5-3-4-6-11(10)8-16-12/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1	C15H20N2O3	276.331	5	3	78.43	2	5	0	-0.962299999999999	0.82069	2.56	2.407	48.4518	77.6652000000001	2.1656	267.565217701217
Cond-006839	NPD6871	NPD6871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.609246623	OC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1	InChI=1S/C14H18N2O3/c17-13(18)6-3-7-15-14(19)12-8-10-4-1-2-5-11(10)9-16-12/h1-2,4-5,12,16H,3,6-9H2,(H,15,19)(H,17,18)/t12-/m0/s1	C14H18N2O3	262.304	5	3	78.43	2	6	0	-1.6197	0.57629	2.45	1.742	43.0342	73.1402	2.0247	250.26923307535
Cond-006840	NPD6872	NPD6872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.1911989974	CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O	InChI=1S/C16H22N2O3/c1-10(2)7-14(16(20)21)18-15(19)13-8-11-5-3-4-6-12(11)9-17-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m0/s1	C16H22N2O3	290.357	5	3	78.43	2	6	0	-0.7067	1.21079	2.67	3.187	52.9036	82.2822000000001	2.3065	284.861202327084
Cond-006841	NPD6873	NPD6873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.4665088428	O/N=C/1\[C@@H]2CN3C[C@@]1(Cc1ccccc1)CN(C2)CC3	InChI=1S/C16H21N3O/c20-17-15-14-9-18-6-7-19(10-14)12-16(15,11-18)8-13-4-2-1-3-5-13/h1-5,14,20H,6-12H2/b17-15+/t14-,16+	C16H21N3O	271.357	4	1	39.07	3	2	0	-0.184200000000001	1.67729	2.78	2.581	53.7932	80.5897	2.1147	256.201050433329
Cond-006842	NPD6874	NPD6874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.6581256092	OC1[C@@H]2CN3C[C@@]1(Cc1ccccc1)CN(C2)CC3	InChI=1S/C16H22N2O/c19-15-14-9-17-6-7-18(10-14)12-16(15,11-17)8-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2/t14-,15?,16+	C16H22N2O	258.359	3	1	26.71	3	2	0	-0.6344	0.8374	2.89	2.949	50.056	74.9558000000001	2.0579	247.840748925962
Cond-006843	NPD6876	NPD6876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9979111544	O=C1[C@@H]2CN3C[C@@]1(Cc1ccccc1)CN(C2)CC3	InChI=1S/C16H20N2O/c19-15-14-9-17-6-7-18(10-14)12-16(15,11-17)8-13-4-2-1-3-5-13/h1-5,14H,6-12H2/t14-,16+	C16H20N2O	256.343	3	0	23.55	3	2	0	-0.226100000000001	1.27949	2.89	2.338	50.2583	77.199	2.0149	245.204290225162
Cond-006844	NPD6877	NPD6877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6020052917	CC(=O)NC1[C@@H]2CN3C[C@@]1(C)CN(C2)CC3	InChI=1S/C12H21N3O/c1-9(16)13-11-10-5-14-3-4-15(6-10)8-12(11,2)7-14/h10-11H,3-8H2,1-2H3,(H,13,16)/t10-,11?,12+	C12H21N3O	223.315	4	1	35.58	2	2	0	-0.613200000000001	-0.00770999999999988	2.34	-0.318	61.2584	65.3247	1.7887	218.182946733061
Cond-006845	NPD6878	NPD6878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9378916585	[C@H]12Cc3ccc(O)c(O)c3c3c1c(CCN2C)ccc3	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1	C17H17NO2	267.322	3	2	43.7	4	0	0	-0.5259	2.92779	3	3.149	31.1512	80.5118	2.0287	244.120823941823
Cond-006846	NPD6879	NPD6879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.7808104721	CC(=C)C1CCC(=C1CC/C(=N/NC(=S)N)/C)C	InChI=1S/C14H23N3S/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)16-17-14(15)18/h12H,1,5-8H2,2-4H3,(H3,15,17,18)/b16-11+	C14H23N3S	265.418	3	3	82.5	1	6	0	2.3325	3.02837	2.56	3.373	80.2822	82.7771	2.2635	279.297254641034
Cond-006847	NPD6880	NPD6880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.8252332544	CC1CC2(C)C[C@H](C)C1(COC(=O)Nc1ccccc1)CO2	InChI=1S/C18H25NO3/c1-13-9-17(3)10-14(2)18(13,12-22-17)11-21-16(20)19-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,19,20)/t13-,14?,17?,18?/m0/s1	C18H25NO3	303.396	4	1	47.56	1	5	0	-0.038499999999999	4.27448	3	4.92	57.2937	88.8617	2.4229	298.736411370651
Cond-006848	NPD6881	NPD6881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9299540454	CC1C=C(C)[C@H]2C(C)[C@]1(COC(=O)Nc1ccccc1)COC2c1ccccc1	InChI=1S/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18?,19?,22-,23?,25-/m0/s1	C25H29NO3	391.503	4	1	47.56	4	6	1	0.5116	5.62447000000001	3.77	7.392	61.0988	116.6047	3.12860000000001	386.006010247719
Cond-006849	NPD6882	NPD6882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	18.1256092466	CC1C=C(C)[C@H]2C(C)[C@]1(COC(=O)C)COC2c1ccccc1	InChI=1S/C20H26O3/c1-13-10-14(2)20(11-22-16(4)21)12-23-19(18(13)15(20)3)17-8-6-5-7-9-17/h5-10,14-15,18-19H,11-12H2,1-4H3/t14?,15?,18-,19?,20+/m0/s1	C20H26O3	314.419	3	0	35.53	3	4	1	0.5144	3.97468	3.33	5.209	64.0221	91.971	2.5619	319.695161713418
Cond-006850	NPD6883	NPD6883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.295780532	OC(=O)COc1ccccc1[C@@H]1O[C@@H]2CCCCC2C2=CCCCC12	InChI=1S/C21H26O4/c22-20(23)13-24-18-11-5-4-10-17(18)21-16-9-2-1-7-14(16)15-8-3-6-12-19(15)25-21/h4-5,7,10-11,15-16,19,21H,1-3,6,8-9,12-13H2,(H,22,23)/t15?,16?,19-,21-/m1/s1	C21H26O4	342.429	4	1	55.76	4	4	0	-1.5758	4.88108000000001	3.33	4.217	61.5212	99.0908000000001	2.6529	333.424914339046
Cond-006851	NPD6884	NPD6884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.7228798218	CC1(C)CC(CCO1)C(=O)N1CCc2c(C1)c1cc(Cl)ccc1[nH]2	InChI=1S/C19H23ClN2O2/c1-19(2)10-12(6-8-24-19)18(23)22-7-5-17-15(11-22)14-9-13(20)3-4-16(14)21-17/h3-4,9,12,21H,5-8,10-11H2,1-2H3	C19H23ClN2O2	346.851	4	1	45.33	4	2	0	-0.494399999999999	3.72888	3	2.781	60.191	99.145	2.5757	307.557079872957
Cond-006852	NPD6885	NPD6885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.990252054	CC1CCc2c(C1)c1c(c(=O)oc3ccccc13)c(NC(=O)C)n2	InChI=1S/C19H18N2O3/c1-10-7-8-14-13(9-10)16-12-5-3-4-6-15(12)24-19(23)17(16)18(21-14)20-11(2)22/h3-6,10H,7-9H2,1-2H3,(H,20,21,22)	C19H18N2O3	322.358	5	1	68.29	4	2	0	0.2498	4.28717	3	4.119	41.3511	97.1317	2.383	293.226862700685
Cond-006853	NPD6886	NPD6886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	27.8289931764	COc1c2C(n3nc(C)cc3C)N(C)CCc2cc2c1OCO2	InChI=1S/C17H21N3O3/c1-10-7-11(2)20(18-10)17-14-12(5-6-19(17)3)8-13-15(16(14)21-4)23-9-22-13/h7-8,17H,5-6,9H2,1-4H3	C17H21N3O3	315.367	6	0	48.75	4	2	0	1.0526	3.32953	2.67	1.925	50.0871	88.394	2.33	277.541029759518
Cond-006854	NPD6888	NPD6888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.0107227406	CN1CCc2c([nH]c3ccccc23)C1c1c(O)[nH]c2c1cccc2	InChI=1S/C20H19N3O/c1-23-11-10-13-12-6-2-4-8-15(12)21-18(13)19(23)17-14-7-3-5-9-16(14)22-20(17)24/h2-9,19,21-22,24H,10-11H2,1H3	C20H19N3O	317.384	4	3	55.05	5	1	0	-0.9688	3.84618	3.22	3.717	30.3212	100.366	2.3977	269.782695432796
Cond-006855	NPD6889	NPD6889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	95.2179362206	[C@@H]12OC(C)(CCC1C(C)(C)Oc1ccccc21)C#CCN1CCCCC1	InChI=1S/C23H31NO2/c1-22(2)19-12-14-23(3,13-9-17-24-15-7-4-8-16-24)26-21(19)18-10-5-6-11-20(18)25-22/h5-6,10-11,19,21H,4,7-8,12,14-17H2,1-3H3/t19?,21-,23?/m0/s1	C23H31NO2	353.498	3	0	21.7	4	1	0	0.369599999999998	4.86729000000001	3.66	4.762	74.4788	105.075	2.9171	361.433190397825
Cond-006856	NPD689	NPD689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7224782512	CCOc1ccc(cc1)C(=O)N1CCc2cc(OC)c(OC)cc2C1CC1CC2N(CCc3c2cc(OC)c(OC)c3)CC1CC	InChI=1S/C38H48N2O6/c1-7-24-23-39-15-13-26-19-34(42-3)36(44-5)21-30(26)32(39)17-28(24)18-33-31-22-37(45-6)35(43-4)20-27(31)14-16-40(33)38(41)25-9-11-29(12-10-25)46-8-2/h9-12,19-22,24,28,32-33H,7-8,13-18,23H2,1-6H3	C38H48N2O6	628.798	8	0	69.7	6	11	2	-0.522700000000002	6.18109	4.76	6.281	104.3678	180.172999999999	4.93300000000001	607.335415890634
Cond-006857	NPD6890	NPD6890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7007380588	CC(=CCC/C(=C\CN1C[C@]23O[C@H](C=C2)C(C3C1=O)C(=O)O)/C)C	InChI=1S/C19H25NO4/c1-12(2)5-4-6-13(3)8-10-20-11-19-9-7-14(24-19)15(18(22)23)16(19)17(20)21/h5,7-9,14-16H,4,6,10-11H2,1-3H3,(H,22,23)/b13-8-/t14-,15?,16?,19-/m1/s1	C19H25NO4	331.406	5	1	66.84	3	6	0	1.626	2.55816	3	1.658	92.9875	92.7948000000001	2.5795	333.086163996279
Cond-006858	NPD6891	NPD6891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.7217657708	[C@H]1(CC2=C(CCCC2(C)C)C[C@@H]1C(=O)N1CCc2c1cccc2)C(=O)O	InChI=1S/C22H27NO3/c1-22(2)10-5-7-15-12-16(17(21(25)26)13-18(15)22)20(24)23-11-9-14-6-3-4-8-19(14)23/h3-4,6,8,16-17H,5,7,9-13H2,1-2H3,(H,25,26)/t16-,17+/m0/s1	C22H27NO3	353.455	4	1	57.61	4	3	0	0.573200000000002	4.88037000000001	3.44	4.098	74.7227	104.4038	2.7919	350.290973771719
Cond-006859	NPD6892	NPD6892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.901267233	CC1(C)C2C[C@H]1C(=CC2)CN1CC23OC(C=C2)C(C3C1=O)C(=O)O	InChI=1S/C19H23NO4/c1-18(2)11-4-3-10(12(18)7-11)8-20-9-19-6-5-13(24-19)14(17(22)23)15(19)16(20)21/h3,5-6,11-15H,4,7-9H2,1-2H3,(H,22,23)/t11?,12-,13?,14?,15?,19?/m0/s1	C19H23NO4	329.39	5	1	66.84	4	3	0	-0.288200000000001	1.93167	3	1.43	88.0035	88.7208000000001	2.4053	311.009705295479
Cond-006860	NPD6893	NPD6893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.8447291464	CC(C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc12)C(C)C)C(=O)O	InChI=1S/C19H26N4O5/c1-10(2)15(17(25)21-16(11(3)4)18(26)27)22-19(28)23-9-14(24)20-12-7-5-6-8-13(12)23/h5-8,10-11,15-16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,28)(H,26,27)/t15-,16-/m0/s1	C19H26N4O5	390.434	9	4	127.84	2	9	0	-1.5073	2.16568	2.56	1.448	71.7881	107.6469	2.9602	371.050212620541
Cond-006861	NPD6894	NPD6894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4530009748	OC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C20H21N3O3/c24-19(25)18(12-14-6-2-1-3-7-14)23-20(26)21-11-10-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,18,22H,10-12H2,(H,24,25)(H2,21,23,26)/t18-/m0/s1	C20H21N3O3	351.399	6	4	94.22	3	9	0	-1.1154	2.22678	3	4.81	37.8141	104.4342	2.6893	320.339607534719
Cond-006862	NPD6895	NPD6895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.0650327252	CC(CCc1ccccc1)NC(=O)NC(C)C(=O)O	InChI=1S/C14H20N2O3/c1-10(8-9-12-6-4-3-5-7-12)15-14(19)16-11(2)13(17)18/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)	C14H20N2O3	264.32	5	3	78.43	1	8	0	-1.198	1.37799	2.45	3.975	43.457	75.8442000000001	2.1333	262.62569177615
Cond-006863	NPD6896	NPD6896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.787912547	Fc1c(CCNC(=O)c2cc3c([nH]c4ccccc34)c(n2)c2cc(Cl)ccc2)cccc1	InChI=1S/C26H19ClFN3O/c27-18-8-5-7-17(14-18)24-25-20(19-9-2-4-11-22(19)30-25)15-23(31-24)26(32)29-13-12-16-6-1-3-10-21(16)28/h1-11,14-15,30H,12-13H2,(H,29,32)	C26H19ClFN3O	443.9	4	2	57.78	5	6	1	0.436	6.49337	3.66	7.134	26.3936	132.9027	3.16820000000001	370.754936304736
Cond-006864	NPD6897	NPD6897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.9121292299	O=C(NCCCn1ccnc1)c1cc2c([nH]c3ccccc23)cn1	InChI=1S/C18H17N5O/c24-18(20-6-3-8-23-9-7-19-12-23)16-10-14-13-4-1-2-5-15(13)22-17(14)11-21-16/h1-2,4-5,7,9-12,22H,3,6,8H2,(H,20,24)	C18H17N5O	319.36	6	2	75.6	4	6	0	-1.3068	2.62438	2.78	2.164	25.9755	97.2717	2.3811	266.904246597396
Cond-006865	NPD6898	NPD6898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.2499651859	O=C(NCC1CCCO1)c1cc2c([nH]c3ccccc23)cn1	InChI=1S/C17H17N3O2/c21-17(19-9-11-4-3-7-22-11)15-8-13-12-5-1-2-6-14(12)20-16(13)10-18-15/h1-2,5-6,8,10-11,20H,3-4,7,9H2,(H,19,21)	C17H17N3O2	295.336	5	2	67.01	4	4	0	-1.8125	2.51658	2.78	2.239	31.0061	89.4017	2.1853	252.577885657356
Cond-006866	NPD69	NPD69	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6519785476	COc1cc2c([nH]c3c2ncn(/N=C/C2=CC[C@H]4C[C@@H]2C4(C)C)c3=O)cc1	InChI=1S/C21H22N4O2/c1-21(2)13-5-4-12(16(21)8-13)10-23-25-11-22-18-15-9-14(27-3)6-7-17(15)24-19(18)20(25)26/h4,6-7,9-11,13,16,24H,5,8H2,1-3H3/b23-10+/t13-,16-/m0/s1	C21H22N4O2	362.425	6	1	70.05	4	3	0	-0.301199999999999	4.38585	3.11	4.732	72.1958	112.186	2.6971	328.665666967391
Cond-006867	NPD690	NPD690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.0832134174	CCCCCCc1c(OCc2cc(OC)c(OC)c(OC)c2)cc2oc(=O)c3c(CCCC3)c2c1	InChI=1S/C29H36O6/c1-5-6-7-8-11-20-16-23-21-12-9-10-13-22(21)29(30)35-25(23)17-24(20)34-18-19-14-26(31-2)28(33-4)27(15-19)32-3/h14-17H,5-13,18H2,1-4H3	C29H36O6	480.593	6	0	63.22	4	11	2	-1.8019	7.37406	3.99	6.782	80.4133	141.288	3.7685	470.563868644703
Cond-006868	NPD6900	NPD6900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4536972566	Clc1ccc(cc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C24H13ClN2O/c25-15-11-9-14(10-12-15)19-13-26-22-16-5-1-2-6-17(16)24(28)27-20-8-4-3-7-18(20)21(19)23(22)27/h1-13H	C24H13ClN2O	380.826	3	0	34.89	6	1	1	0.1095	6.24399	3.66	6.647	13.0571	117.639	2.6603	306.742189293729
Cond-006869	NPD6901	NPD6901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.7114607993	Fc1c(c(Cl)ccc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C24H12ClFN2O/c25-17-9-5-10-18(26)21(17)16-12-27-22-13-6-1-2-7-14(13)24(29)28-19-11-4-3-8-15(19)20(16)23(22)28/h1-12H	C24H12ClFN2O	398.816	3	0	34.89	6	1	1	0.5892	6.38309	3.55	6.606	13.9296	117.597	2.678	312.809748144036
Cond-006870	NPD6902	NPD6902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.6549227127	Cc1ccc(o1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C23H14N2O2/c1-13-10-11-19(27-13)17-12-24-21-14-6-2-3-7-15(14)23(26)25-18-9-5-4-8-16(18)20(17)22(21)25/h2-12H,1H3	C23H14N2O2	350.369	4	0	48.03	6	1	1	-0.3494	5.19241	3.55	5.655	14.7931	110.964	2.4987	285.661822298791
Cond-006871	NPD6903	NPD6903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.357749617	Fc1ccc(cc1)c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1	InChI=1S/C24H13FN2O/c25-15-11-9-14(10-12-15)19-13-26-22-16-5-1-2-6-17(16)24(28)27-20-8-4-3-7-18(20)21(19)23(22)27/h1-13H	C24H13FN2O	364.371	3	0	34.89	6	1	1	-0.1551	5.72969	3.66	6.51	8.314	112.587	2.5556	297.598680373603
Cond-006872	NPD6904	NPD6904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8470965047	CCCCc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1	InChI=1S/C23H24N2O4/c1-2-3-6-15-9-11-16(12-10-15)24-21(27)19-13-14-20(26)25(19)22-17-7-4-5-8-18(17)23(28)29-22/h4-5,7-12,19,22H,2-3,6,13-14H2,1H3,(H,24,27)	C23H24N2O4	392.448	6	1	75.71	4	7	1	-2.1011	4.10999000000001	3.33	5.897	51.7231	110.9027	2.9623	368.564569203913
Cond-006873	NPD6905	NPD6905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.5719259156	C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O	InChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)11-6-9-4-2-3-5-10(9)7-14-11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,11-/m0/s1	C13H16N2O3	248.278	5	3	78.43	2	4	0	-1.4839	0.18459	2.34	1.752	40.0827	68.5012	1.8838	232.973248449484
Cond-006874	NPD6906	NPD6906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.1658543378	Oc1ccc(CCNC(=O)Cc2c[nH]c3c2cccc3)cc1	InChI=1S/C18H18N2O2/c21-15-7-5-13(6-8-15)9-10-19-18(22)11-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,20-21H,9-11H2,(H,19,22)	C18H18N2O2	294.348	4	3	65.12	3	6	0	-1.2135	2.93208	3	3.139	27.0193	91.5395	2.292	268.597110075057
Cond-006875	NPD6907	NPD6907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.5801420415	O=C(CNC(=O)c1ncccc1C(=O)NCCc1cc2c([nH]1)cccc2)NCCc1cc2c([nH]1)cccc2	InChI=1S/C29H28N6O3/c36-26(30-14-11-21-16-19-6-1-3-9-24(19)34-21)18-33-29(38)27-23(8-5-13-31-27)28(37)32-15-12-22-17-20-7-2-4-10-25(20)35-22/h1-10,13,16-17,34-35H,11-12,14-15,18H2,(H,30,36)(H,32,37)(H,33,38)	C29H28N6O3	508.571	9	5	131.77	5	13	1	-3.4998	2.10999000000001	3.66	4.358	48.7341	149.8046	3.8246	449.29853888642
Cond-006876	NPD6908	NPD6908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.8202200251	NCP(=O)(O)CC(CCC(=O)O)C(=O)O	InChI=1S/C7H14NO6P/c8-4-15(13,14)3-5(7(11)12)1-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)	C7H14NO6P	239.163	7	5	147.73	0	7	0	-0.974699999999999	-0.25561	1.35	-2.213	43.8893	50.6983	1.6655	207.9208074998
Cond-006877	NPD6909	NPD6909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.6014482663	CC(C)CC(CP(=O)(O)CN)C(=O)O	InChI=1S/C8H18NO4P/c1-6(2)3-7(8(10)11)4-14(12,13)5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13)	C8H18NO4P	223.207	5	4	110.43	0	6	0	-0.389999999999999	0.92569	1.68	-0.0420000000000005	46.8022	53.2835	1.732	210.272797425344
Cond-006878	NPD691	NPD691	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7303532091	Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C24H17ClO4/c1-15-11-21(28-14-20(26)17-7-9-18(25)10-8-17)24-19(16-5-3-2-4-6-16)13-23(27)29-22(24)12-15/h2-13H,14H2,1H3	C24H17ClO4	404.842	4	0	52.6	4	5	1	0.841	5.53239	3.55	7.46	37.9599	114.7575	2.897	360.26872508148
Cond-006879	NPD6910	NPD6910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.4309984682	CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C21H26ClN3O4/c1-12(2)9-15(20(27)25-8-4-5-17(25)21(28)29)23-19(26)18-11-13-10-14(22)6-7-16(13)24(18)3/h6-7,10-12,15,17H,4-5,8-9H2,1-3H3,(H,23,26)(H,28,29)/t15-,17-/m0/s1	C21H26ClN3O4	419.902	7	2	91.64	3	8	0	-0.699699999999999	3.69088	2.89	3.255	72.2132	115.293	3.0973	377.80980403318
Cond-006880	NPD6912	NPD6912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.3730678179	C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)O	InChI=1S/C20H18N2O5/c1-10(18(24)22-11(2)20(26)27)21-19(25)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)23/h3-11H,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t10-,11-/m0/s1	C20H18N2O5	366.367	7	3	112.57	3	7	0	-1.9848	1.88789	2.89	3.056	45.8913	101.6062	2.6639	335.186842026874
Cond-006881	NPD6913	NPD6913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2911850717	C[C@H](NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)NCCC(=O)O	InChI=1S/C20H18N2O5/c1-11(19(26)21-10-9-16(23)24)22-20(27)15-8-4-7-14-17(15)12-5-2-3-6-13(12)18(14)25/h2-8,11H,9-10H2,1H3,(H,21,26)(H,22,27)(H,23,24)/t11-/m0/s1	C20H18N2O5	366.367	7	3	112.57	3	8	0	-1.8326	1.88949	2.89	2.688	45.9312	101.6282	2.6639	335.186842026874
Cond-006882	NPD6914	NPD6914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	78.7299818967	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C28H23N3O5/c1-33-17-8-10-23(34-2)20(12-17)27-26-19(18-5-3-4-6-21(18)30-26)13-22(31-27)28(32)29-14-16-7-9-24-25(11-16)36-15-35-24/h3-13,30H,14-15H2,1-2H3,(H,29,32)	C28H23N3O5	481.499	8	2	94.7	6	7	0	-1.4499	5.56556	3.66	4.661	37.5574	143.5997	3.43610000000001	406.872727037175
Cond-006883	NPD6915	NPD6915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6329202061	Cc1c2oc(=O)c3c(cccc3)c2cc2c1OCN(Cc1cc(ccc1)C(F)(F)F)C2	InChI=1S/C24H18F3NO3/c1-14-21-16(10-20-18-7-2-3-8-19(18)23(29)31-22(14)20)12-28(13-30-21)11-15-5-4-6-17(9-15)24(25,26)27/h2-10H,11-13H2,1H3	C24H18F3NO3	425.4	4	0	38.77	5	3	1	1.5368	5.3381	3.33	7.224	36.4038	112.666	2.8462	358.383326070371
Cond-006884	NPD6916	NPD6916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.0313326835	CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12	InChI=1S/C25H27NO6S/c1-3-7-18-12-23(28)32-24-16(2)21(11-10-19(18)24)31-13-22(27)26-20(25(29)30)15-33-14-17-8-5-4-6-9-17/h4-6,8-12,20H,3,7,13-15H2,1-2H3,(H,26,27)(H,29,30)/t20-/m0/s1	C25H27NO6S	469.55	7	2	127.23	3	12	2	-0.231700000000001	4.46669	3.33	5.794	75.8755	132.0805	3.4908	437.969255706202
Cond-006885	NPD6917	NPD6917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8519704776	CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c12	InChI=1S/C25H27NO6S/c1-3-7-18-12-23(28)32-21-11-16(2)10-20(24(18)21)31-13-22(27)26-19(25(29)30)15-33-14-17-8-5-4-6-9-17/h4-6,8-12,19H,3,7,13-15H2,1-2H3,(H,26,27)(H,29,30)/t19-/m0/s1	C25H27NO6S	469.55	7	2	127.23	3	12	2	-0.231700000000001	3.91119	3.33	6.005	75.8755	129.7535	3.4908	437.969255706202
Cond-006886	NPD6918	NPD6918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0419161677	Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C24H25NO6S/c1-14-9-19(22-15(2)16(3)24(29)31-20(22)10-14)30-11-21(26)25-18(23(27)28)13-32-12-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,27,28)/t18-/m0/s1	C24H25NO6S	455.523	7	2	127.23	3	10	1	1.1377	3.52109	3.22	5.153	72.059	125.1365	3.3499	420.673271080335
Cond-006887	NPD6919	NPD6919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.2165436569	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NC(Cc3ccccc3)C(=O)O)ccc12	InChI=1S/C29H27NO6/c1-18-22-13-14-25(19(2)27(22)36-29(34)23(18)15-20-9-5-3-6-10-20)35-17-26(31)30-24(28(32)33)16-21-11-7-4-8-12-21/h3-14,24H,15-17H2,1-2H3,(H,30,31)(H,32,33)	C29H27NO6	485.528	7	2	101.93	4	10	1	0.400499999999999	4.94819000000001	3.88	8.122	58.8054	140.2335	3.6533	457.478335348869
Cond-006888	NPD6920	NPD6920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.0479041916	CC(Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)NC(Cc1ccccc1)C(=O)O	InChI=1S/C30H29NO6/c1-18-23-14-15-26(19(2)27(23)37-30(35)24(18)16-21-10-6-4-7-11-21)36-20(3)28(32)31-25(29(33)34)17-22-12-8-5-9-13-22/h4-15,20,25H,16-17H2,1-3H3,(H,31,32)(H,33,34)	C30H29NO6	499.554	7	2	101.93	4	10	1	0.496499999999998	5.33669000000001	3.99	8.648	63.4649	144.8285	3.79420000000001	474.774319974736
Cond-006889	NPD6921	NPD6921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4599637933	Clc1c(cccc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCCCc1ccccc1	InChI=1S/C27H22ClN3O/c28-22-14-6-4-13-20(22)25-26-21(19-12-5-7-15-23(19)30-26)17-24(31-25)27(32)29-16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,17,30H,8,11,16H2,(H,29,32)	C27H22ClN3O	439.936	4	2	57.78	5	7	1	-0.5249	6.74437000000001	3.88	8.799	28.8463	137.5617	3.29140000000001	381.983362080297
Cond-006890	NPD6922	NPD6922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.4563431277	COc1cc2c(cc1OC)C(C)N(CC(=O)NCc1ccco1)CC2	InChI=1S/C19H24N2O4/c1-13-16-10-18(24-3)17(23-2)9-14(16)6-7-21(13)12-19(22)20-11-15-5-4-8-25-15/h4-5,8-10,13H,6-7,11-12H2,1-3H3,(H,20,22)	C19H24N2O4	344.405	6	1	63.94	3	7	0	-0.801400000000001	2.06639	2.89	1.801	54.325	97.9307000000001	2.6363	319.646465503646
Cond-006891	NPD6924	NPD6924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3602562317	COc1cc(/C=C/C(=O)N2CCc3cc4c(OCCCO4)cc3C2=C)cc(OC)c1OC	InChI=1S/C25H27NO6/c1-16-19-15-21-20(31-10-5-11-32-21)14-18(19)8-9-26(16)24(27)7-6-17-12-22(28-2)25(30-4)23(13-17)29-3/h6-7,12-15H,1,5,8-11H2,2-4H3/b7-6+	C25H27NO6	437.485	7	0	66.46	4	6	0	-0.474200000000001	4.31176	3.44	3.137	73.8455	124.812	3.2617	409.740231648602
Cond-006892	NPD6925	NPD6925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6206656455	COc1cc(c(OC)cc1)c1cc2ccc([O-])c(C[NH+]3CCCCCC3)c2oc1=O	InChI=1S/C24H27NO5/c1-28-17-8-10-22(29-2)18(14-17)19-13-16-7-9-21(26)20(23(16)30-24(19)27)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3	C24H27NO5	409.475	6	1	72.26	4	5	0	-3.2777	3.62447	3.44	3.543	55.8048	118.0117	3.1051	386.290479022974
Cond-006893	NPD6926	NPD6926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3713967414	COc1cc(OC)c(cc1)c1cc2ccc([O-])c(C[NH+]3CCOCC3)c2oc1=O	InChI=1S/C22H23NO6/c1-26-15-4-5-16(20(12-15)27-2)17-11-14-3-6-19(24)18(21(14)29-22(17)25)13-23-7-9-28-10-8-23/h3-6,11-12,24H,7-10,13H2,1-2H3	C22H23NO6	397.421	7	1	81.49	4	5	0	-2.2566	2.08067	3.11	1.921	55.2019	110.3627	2.882	360.488736471802
Cond-006894	NPD6927	NPD6927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.4740286868	CCC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C21H26ClN3O4/c1-4-12(2)18(20(27)25-9-5-6-16(25)21(28)29)23-19(26)17-11-13-10-14(22)7-8-15(13)24(17)3/h7-8,10-12,16,18H,4-6,9H2,1-3H3,(H,23,26)(H,28,29)/t12?,16-,18-/m0/s1	C21H26ClN3O4	419.902	7	2	91.64	3	8	0	-1.6315	3.69088	2.89	3.044	70.8392	115.293	3.0973	377.80980403318
Cond-006895	NPD6928	NPD6928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3532934132	COc1cc(OC)c2cc(n(C)c2c1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C22H29N3O6/c1-12(2)19(21(27)25-8-6-7-15(25)22(28)29)23-20(26)17-11-14-16(24(17)3)9-13(30-4)10-18(14)31-5/h9-12,15,19H,6-8H2,1-5H3,(H,23,26)(H,28,29)/t15-,19-/m0/s1	C22H29N3O6	431.482	9	2	110.1	3	9	0	-1.8032	2.66458	2.89	1.491	76.7774	118.77	3.2332	397.475174289736
Cond-006896	NPD6929	NPD6929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.6461495613	CC(C)[C@H](NC(=O)c1cccc2c1c1c(cccc1)C2=O)C(=O)NCCCC(=O)O	InChI=1S/C23H24N2O5/c1-13(2)20(23(30)24-12-6-11-18(26)27)25-22(29)17-10-5-9-16-19(17)14-7-3-4-8-15(14)21(16)28/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,24,30)(H,25,29)(H,26,27)/t20-/m0/s1	C23H24N2O5	408.447	7	3	112.57	3	10	0	-1.599	2.91569	3.22	3.701	57.2119	115.4092	3.0866	387.074795904474
Cond-006897	NPD693	NPD693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4627615872	CCCCCCc1c(C)c2cc3c(occ3c3ccccc3)c(C)c2oc1=O	InChI=1S/C25H26O3/c1-4-5-6-10-13-19-16(2)20-14-21-22(18-11-8-7-9-12-18)15-27-23(21)17(3)24(20)28-25(19)26/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3	C25H26O3	374.472	3	0	39.44	4	6	1	0.0771000000000002	7.39109000000001	3.88	8.248	49.2039	117.404	2.9858	361.472791338752
Cond-006898	NPD6930	NPD6930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8572622197	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC(CC1)C(=O)O	InChI=1S/C23H31N3O6/c1-13(2)19(22(28)26-10-8-14(9-11-26)23(29)30)24-21(27)16-12-15-17(31-4)6-7-18(32-5)20(15)25(16)3/h6-7,12-14,19H,8-11H2,1-5H3,(H,24,27)(H,29,30)/t19-/m0/s1	C23H31N3O6	445.509	9	2	110.1	3	9	0	-1.7792	3.41297	3	1.416	81.7884	125.4	3.3741	414.771158915603
Cond-006899	NPD6931	NPD6931	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	29.4889291185	OC(=O)[C@H](CSCc1ccccc1)NC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C24H23NO6S/c26-22(25-20(23(27)28)14-32-13-15-5-2-1-3-6-15)12-30-16-9-10-18-17-7-4-8-19(17)24(29)31-21(18)11-16/h1-3,5-6,9-11,20H,4,7-8,12-14H2,(H,25,26)(H,27,28)/t20-/m0/s1	C24H23NO6S	453.508	7	2	127.23	4	10	0	-0.951500000000001	3.81988	3.22	4.849	68.1951	125.0615	3.2413	408.316812379535
Cond-006900	NPD6932	NPD6932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.6297173096	Cc1c2oc(=O)c3c(CCC3)c2ccc1OCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O	InChI=1S/C25H25NO6S/c1-15-21(11-10-18-17-8-5-9-19(17)25(30)32-23(15)18)31-12-22(27)26-20(24(28)29)14-33-13-16-6-3-2-4-7-16/h2-4,6-7,10-11,20H,5,8-9,12-14H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1	C25H25NO6S	467.534	7	2	127.23	4	10	0	-0.309500000000001	4.22069	3.33	4.961	73.6972	129.9665	3.3822	425.612797005402
Cond-006901	NPD6933	NPD6933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	60.2478763403	[C@@H]1(CCc2c(c(OC)c(OC)c(OC)c2)c2ccc(NC(=O)c3cccs3)c(=O)cc12)NC(=O)C	InChI=1S/C26H26N2O6S/c1-14(29)27-18-9-7-15-12-21(32-2)24(33-3)25(34-4)23(15)16-8-10-19(20(30)13-17(16)18)28-26(31)22-6-5-11-35-22/h5-6,8,10-13,18H,7,9H2,1-4H3,(H,27,29)(H,28,30,31)/t18-/m0/s1	C26H26N2O6S	494.559	8	2	131.2	4	8	0	-0.905600000000001	3.33476000000001	3.33	2.487	94.3374	134.5999	3.5799	451.269083138636
Cond-006902	NPD6934	NPD6934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.331847932	CC(=O)OCC1OC(Oc2c3ncccc3ccc2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C	InChI=1S/C23H25NO10/c1-12(25)29-11-18-20(30-13(2)26)21(31-14(3)27)22(32-15(4)28)23(34-18)33-17-9-5-7-16-8-6-10-24-19(16)17/h5-10,18,20-23H,11H2,1-4H3	C23H25NO10	475.445	11	0	136.55	3	11	1	-0.690800000000001	2.43138	2.78	2.419	71.5839	119.631	3.3233	422.665627899913
Cond-006903	NPD6936	NPD6936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	59.8690990113	CC(=C)[C@H]1CCC(=CC1)CN1CC23OC(C=C2)C(C3C1=O)C(=O)O	InChI=1S/C19H23NO4/c1-11(2)13-5-3-12(4-6-13)9-20-10-19-8-7-14(24-19)15(18(22)23)16(19)17(20)21/h3,7-8,13-16H,1,4-6,9-10H2,2H3,(H,22,23)/t13-,14?,15?,16?,19?/m1/s1	C19H23NO4	329.39	5	1	66.84	4	4	0	0.337999999999999	2.16806	3	0.982	89.4801	90.6108000000001	2.4709	320.729705295479
Cond-006904	NPD6937	NPD6937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1967692522	COc1cccc2c1oc1cc(OCC(=O)O)cc(O)c1c2=O	InChI=1S/C16H12O7/c1-21-11-4-2-3-9-15(20)14-10(17)5-8(22-7-13(18)19)6-12(14)23-16(9)11/h2-6,17H,7H2,1H3,(H,18,19)	C16H12O7	316.262	7	2	102.29	3	4	0	-1.5257	3.30617	2.45	1.034	30.2459	85.4613000000001	2.1041	266.862753909795
Cond-006905	NPD6938	NPD6938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8047625679	COC(=O)COc1cc(O)c2c(=O)c3c(oc2c1)c(OC)ccc3	InChI=1S/C17H14O7/c1-21-12-5-3-4-10-16(20)15-11(18)6-9(23-8-14(19)22-2)7-13(15)24-17(10)12/h3-7,18H,8H2,1-2H3	C17H14O7	330.289	7	1	91.29	3	5	0	-1.2747	3.39457	2.56	1.355	35.015	89.8415	2.245	284.158738535662
Cond-006906	NPD6939	NPD6939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.0298008634	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NCc3ccco3)cc2O1	InChI=1S/C24H25NO6/c1-24(2)9-8-17-18(31-24)11-19(29-13-20(26)25-12-14-5-4-10-28-14)21-15-6-3-7-16(15)23(27)30-22(17)21/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,25,26)	C24H25NO6	423.458	7	1	87	5	6	0	-0.5529	4.62896000000001	3.33	2.995	71.4707	119.9017	3.0552	382.724247022736
Cond-006907	NPD694	NPD694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.8585577221	CC(=CCC/C(=C\COc1ccc2c(oc(=O)cc2c2ccccc2)c1C)/C)C	InChI=1S/C26H28O3/c1-18(2)9-8-10-19(3)15-16-28-24-14-13-22-23(21-11-6-5-7-12-21)17-25(27)29-26(22)20(24)4/h5-7,9,11-15,17H,8,10,16H2,1-4H3/b19-15-	C26H28O3	388.499	3	0	35.53	3	7	1	3.3623	7.09667000000001	3.99	8.416	71.169	123.184	3.1923	399.388775964619
Cond-006908	NPD6940	NPD6940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0785405932	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NCc3cnccc3)cc2O1	InChI=1S/C25H26N2O5/c1-25(2)9-8-18-19(32-25)11-20(22-16-6-3-7-17(16)24(29)31-23(18)22)30-14-21(28)27-13-15-5-4-10-26-12-15/h4-5,10-12H,3,6-9,13-14H2,1-2H3,(H,27,28)	C25H26N2O5	434.484	7	1	86.75	5	6	0	-0.3988	4.45016000000001	3.44	2.992	69.8516	123.0017	3.1942	399.590306455408
Cond-006909	NPD6941	NPD6941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.0934410249	CC1(C)CCc2c3oc(=O)c4c(CCCC4)c3c(OCC(=O)NCc3ccncc3)cc2O1	InChI=1S/C26H28N2O5/c1-26(2)10-7-19-20(33-26)13-21(31-15-22(29)28-14-16-8-11-27-12-9-16)23-17-5-3-4-6-18(17)25(30)32-24(19)23/h8-9,11-13H,3-7,10,14-15H2,1-2H3,(H,28,29)	C26H28N2O5	448.511	7	1	86.75	5	6	0	-0.686800000000001	4.84026000000001	3.55	3.561	72.7632	127.6187	3.3351	416.886291081275
Cond-006910	NPD6942	NPD6942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4620526389	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)Nc3ccc4OCOc4c3)cc2O1	InChI=1S/C26H25NO7/c1-26(2)9-8-17-19(34-26)11-21(23-15-4-3-5-16(15)25(29)33-24(17)23)30-12-22(28)27-14-6-7-18-20(10-14)32-13-31-18/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,27,28)	C26H25NO7	463.479	8	1	92.32	6	5	0	-0.7131	6.54654	3.44	3.484	72.6115	131.1727	3.2441	411.11352557343
Cond-006911	NPD6943	NPD6943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.781924523	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)N3CCN(CC3)c3ccccc3)cc2O1	InChI=1S/C29H32N2O5/c1-29(2)12-11-22-23(36-29)17-24(26-20-9-6-10-21(20)28(33)35-27(22)26)34-18-25(32)31-15-13-30(14-16-31)19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16,18H2,1-2H3	C29H32N2O5	488.575	7	0	68.31	6	5	0	-0.350800000000003	5.95415000000001	3.88	4.441	86.8862	143.333	3.6492	456.417786258075
Cond-006912	NPD6944	NPD6944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7145244395	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)Nc3c(cccc3)C(=O)N)cc2O1	InChI=1S/C26H26N2O6/c1-26(2)11-10-17-19(34-26)12-20(22-14-7-5-8-15(14)25(31)33-23(17)22)32-13-21(29)28-18-9-4-3-6-16(18)24(27)30/h3-4,6,9,12H,5,7-8,10-11,13H2,1-2H3,(H2,27,30)(H,28,29)	C26H26N2O6	462.494	8	3	116.95	5	6	0	-1.0452	5.41595	3.44	3.594	72.5809	131.5066	3.3508	423.040059081036
Cond-006913	NPD6945	NPD6945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.3191756023	COc1ccc2n(C)c(cc2c1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C21H27N3O5/c1-12(2)18(20(26)24-9-5-6-16(24)21(27)28)22-19(25)17-11-13-10-14(29-4)7-8-15(13)23(17)3/h7-8,10-12,16,18H,5-6,9H2,1-4H3,(H,22,25)(H,27,28)/t16-,18-/m0/s1	C21H27N3O5	401.456	8	2	100.87	3	8	0	-1.7514	2.65598	2.89	1.935	69.4616	112.218	3.0336	371.388962963308
Cond-006914	NPD6946	NPD6946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.1673861579	Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc(O)ccc12	InChI=1S/C16H17NO4/c1-9-12-5-4-11(18)8-14(12)21-16(20)13(9)6-7-15(19)17-10-2-3-10/h4-5,8,10,18H,2-3,6-7H2,1H3,(H,17,19)	C16H17NO4	287.31	5	2	75.63	3	5	0	-0.9968	2.69547	2.67	1.478	48.314	80.9765	2.1138	267.661751417878
Cond-006915	NPD6948	NPD6948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.6379334355	FC(F)(F)c1cc(NC(=O)C2CCC(=O)N2C2OC(=O)c3c2cccc3)ccc1Cl	InChI=1S/C20H14ClF3N2O4/c21-14-6-5-10(9-13(14)20(22,23)24)25-17(28)15-7-8-16(27)26(15)18-11-3-1-2-4-12(11)19(29)30-18/h1-6,9,15,18H,7-8H2,(H,25,28)	C20H14ClF3N2O4	438.784	6	1	75.71	4	5	0	0.2036	4.09849	2.56	4.866	47.186	101.5247	2.7151	350.090359647665
Cond-006916	NPD6949	NPD6949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.8473750174	FC(F)(F)c1cc(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)c(Cl)cc1	InChI=1S/C20H14ClF3N2O4/c21-13-6-5-10(20(22,23)24)9-14(13)25-17(28)15-7-8-16(27)26(15)18-11-3-1-2-4-12(11)19(29)30-18/h1-6,9,15,18H,7-8H2,(H,25,28)/t15-,18?/m0/s1	C20H14ClF3N2O4	438.784	6	1	75.71	4	5	0	0.2036	4.09849	2.56	4.866	47.186	101.5247	2.7151	350.090359647665
Cond-006917	NPD695	NPD695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7662382772	COc1cc(COc2ccc3c4c(CCC4)c(=O)oc3c2C)cc(OC)c1OC	InChI=1S/C23H24O6/c1-13-18(9-8-16-15-6-5-7-17(15)23(24)29-21(13)16)28-12-14-10-19(25-2)22(27-4)20(11-14)26-3/h8-11H,5-7,12H2,1-4H3	C23H24O6	396.433	6	0	63.22	4	6	0	0.166399999999999	4.94389	3.33	3.368	60.5933	112.731	2.9231	366.787960889502
Cond-006918	NPD6950	NPD6950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.0484612171	Cc1nn(c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1)c1cccc(C)c1	InChI=1S/C23H21N3O4/c1-14-5-4-6-17(9-14)26-21(11-16(3)25-26)24-22(27)13-29-18-7-8-19-15(2)10-23(28)30-20(19)12-18/h4-12H,13H2,1-3H3,(H,24,27)	C23H21N3O4	403.431	7	1	81.93	4	6	0	0.8204	5.30949	3.22	4.881	48.5724	117.9717	2.9761	363.38841201048
Cond-006919	NPD6951	NPD6951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.0612728032	COC(=O)c1c(NC(=O)COc2c3c4c(CCC4)c(=O)oc3cc(C)c2)cc(OC)c(OC)c1	InChI=1S/C25H25NO8/c1-13-8-20(23-14-6-5-7-15(14)25(29)34-21(23)9-13)33-12-22(27)26-17-11-19(31-3)18(30-2)10-16(17)24(28)32-4/h8-11H,5-7,12H2,1-4H3,(H,26,27)	C25H25NO8	467.468	9	1	109.39	4	9	0	-0.618799999999999	4.54448000000001	3.22	3.239	72.5572	125.9832	3.3361	424.684226348924
Cond-006920	NPD6952	NPD6952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.7997493385	CCOC(=O)c1c(NC(=O)COc2c3c4c(CCC4)c(=O)oc3cc(C)c2)cccc1	InChI=1S/C24H23NO6/c1-3-29-23(27)17-7-4-5-10-18(17)25-21(26)13-30-19-11-14(2)12-20-22(19)15-8-6-9-16(15)24(28)31-20/h4-5,7,10-12H,3,6,8-9,13H2,1-2H3,(H,25,26)	C24H23NO6	421.443	7	1	90.93	4	8	0	-0.2648	4.91738	3.33	4.761	62.2194	117.4962	3.0778	389.807788321935
Cond-006921	NPD6953	NPD6953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.261244952	CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O	InChI=1S/C16H22N2O3/c1-10(2)7-14(16(20)21)18-15(19)13-8-11-5-3-4-6-12(11)9-17-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-,14-/m0/s1	C16H22N2O3	290.357	5	3	78.43	2	6	0	-0.7067	1.21079	2.67	3.187	52.9036	82.2822000000001	2.3065	284.861202327084
Cond-006922	NPD6954	NPD6954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	22.2921598663	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c(Cl)cc12	InChI=1S/C27H28ClNO6/c1-16-20-12-22(28)24(13-23(20)35-27(33)21(16)11-17-5-3-2-4-6-17)34-15-25(30)29-14-18-7-9-19(10-8-18)26(31)32/h2-6,12-13,18-19H,7-11,14-15H2,1H3,(H,29,30)(H,31,32)/t18-,19-	C27H28ClNO6	497.967	7	2	101.93	4	9	1	1.1807	5.21317000000001	3.55	5.797	79.6745	135.6575	3.6229	456.906809969969
Cond-006923	NPD6955	NPD6955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.6694053753	CC(Oc1c(Cl)cc2c(oc(=O)c(Cc3ccccc3)c2C)c1)C(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O	InChI=1S/C28H30ClNO6/c1-16-21-13-23(29)25(14-24(21)36-28(34)22(16)12-18-6-4-3-5-7-18)35-17(2)26(31)30-15-19-8-10-20(11-9-19)27(32)33/h3-7,13-14,17,19-20H,8-12,15H2,1-2H3,(H,30,31)(H,32,33)/t17?,19-,20-	C28H30ClNO6	511.994	7	2	101.93	4	9	1	1.2767	5.60167000000001	3.66	6.323	84.334	140.2525	3.7638	474.202794595836
Cond-006924	NPD6956	NPD6956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.8770366244	C=C1N(CCc2cc3c(OCCCO3)cc12)C(=O)/C=C/c1cc2c(OCO2)cc1	InChI=1S/C23H21NO5/c1-15-18-13-22-21(26-9-2-10-27-22)12-17(18)7-8-24(15)23(25)6-4-16-3-5-19-20(11-16)29-14-28-19/h3-6,11-13H,1-2,7-10,14H2/b6-4+	C23H21NO5	391.417	6	0	57.23	5	3	0	-0.621499999999999	4.51545	3.33	3.508	59.3702	113.34	2.8126	354.001576995508
Cond-006925	NPD6957	NPD6957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.7380587662	NC(=O)COc1cc(O)c2c(=O)c3c(oc2c1)cccc3	InChI=1S/C15H11NO5/c16-13(18)7-20-8-5-10(17)14-12(6-8)21-11-4-2-1-3-9(11)15(14)19/h1-6,17H,7H2,(H2,16,18)	C15H11NO5	285.252	6	3	98.85	3	3	0	-1.8689	2.69827	2.45	0.961	23.1523	80.4679	1.9456	242.983076090973
Cond-006926	NPD6958	NPD6958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9097618716	COc1cccc2c1oc1cc(OC(C)C(=O)C)cc(O)c1c2=O	InChI=1S/C18H16O6/c1-9(19)10(2)23-11-7-13(20)16-15(8-11)24-18-12(17(16)21)5-4-6-14(18)22-3/h4-8,10,20H,1-3H3	C18H16O6	328.316	6	1	82.06	3	4	0	-1.4438	3.56298	2.78	1.825	38.4565	90.4608	2.3272	292.664496460968
Cond-006927	NPD696	NPD696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.948419834	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCN1CCCCC1	InChI=1S/C29H45NO3/c1-20(31)24-9-10-25-23-8-7-21-19-22(33-27(32)13-18-30-16-5-4-6-17-30)11-14-28(21,2)26(23)12-15-29(24,25)3/h9,21-23,25-26H,4-8,10-19H2,1-3H3/t21-,22?,23?,25?,26?,28-,29+/m0/s1	C29H45NO3	455.672	4	0	46.61	5	6	1	-0.119199999999998	6.10228000000001	4.21	6.856	124.1887	133.635	3.7986	477.815783554387
Cond-006928	NPD6960	NPD6960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8377327661	Cc1coc2c1cc1c(C)c(CCC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc1c2C	InChI=1S/C27H26N2O4/c1-15-14-32-25-17(3)26-22(12-21(15)25)16(2)19(27(31)33-26)8-9-24(30)28-11-10-18-13-29-23-7-5-4-6-20(18)23/h4-7,12-14,29H,8-11H2,1-3H3,(H,28,30)	C27H26N2O4	442.506	6	2	84.33	5	7	0	1.0666	5.27700000000001	3.77	4.048	61.6156	131.6847	3.3313	398.31913160498
Cond-006929	NPD6961	NPD6961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4581795645	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CCC(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)NCCC(=O)O)c(C)c1c2	InChI=1S/C32H33N3O7/c1-16-19(4)41-29-18(3)30-24(14-23(16)29)17(2)21(32(40)42-30)9-10-27(36)35-26(31(39)33-12-11-28(37)38)13-20-15-34-25-8-6-5-7-22(20)25/h5-8,14-15,26,34H,9-13H2,1-4H3,(H,33,39)(H,35,36)(H,37,38)/t26-/m1/s1	C32H33N3O7	571.62	10	4	150.73	5	12	1	0.315999999999999	4.42803000000001	3.88	3.36	90.2945	162.9992	4.2257	516.893577642564
Cond-006930	NPD6962	NPD6962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0776121926	CC[C@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](C)NC(=O)CCc1c(C)c2cc3c(oc(C)c3C)cc2oc1=O)C(=O)O	InChI=1S/C39H45N5O9/c1-7-19(2)35(38(49)50)44-34(46)18-41-37(48)30(14-24-17-40-29-11-9-8-10-26(24)29)43-36(47)22(5)42-33(45)13-12-25-21(4)28-15-27-20(3)23(6)52-31(27)16-32(28)53-39(25)51/h8-11,15-17,19,22,30,35,40H,7,12-14,18H2,1-6H3,(H,41,48)(H,42,45)(H,43,47)(H,44,46)(H,49,50)/t19-,22+,30+,35+/m0/s1	C39H45N5O9	727.803	14	6	208.93	5	19	3	-2.21	3.86280000000001	4.21	3.71	124.8659	202.6706	5.44300000000001	672.266526439482
Cond-006931	NPD6963	NPD6963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2923909063	Cc1c(CC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)NCCCC(=O)O)c(=O)oc2cc3c(cc12)c1c(CCCC1)o3	InChI=1S/C33H33N3O7/c1-18-22-14-24-21-8-3-5-10-27(21)42-29(24)16-28(22)43-33(41)23(18)15-30(37)36-26(32(40)34-12-6-11-31(38)39)13-19-17-35-25-9-4-2-7-20(19)25/h2,4,7,9,14,16-17,26,35H,3,5-6,8,10-13,15H2,1H3,(H,34,40)(H,36,37)(H,38,39)/t26-/m1/s1	C33H33N3O7	583.631	10	4	150.73	6	12	1	-2.0159	5.16806000000001	3.99	4.024	86.7444	168.4552	4.258	521.83310356763
Cond-006932	NPD6964	NPD6964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.4844916472	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)O)c(C)c1c2	InChI=1S/C30H29N3O7/c1-14-17(4)39-27-16(3)28-21(10-20(14)27)15(2)22(30(38)40-28)11-25(34)33-24(29(37)32-13-26(35)36)9-18-12-31-23-8-6-5-7-19(18)23/h5-8,10,12,24,31H,9,11,13H2,1-4H3,(H,32,37)(H,33,34)(H,35,36)/t24-/m1/s1	C30H29N3O7	543.567	10	4	150.73	5	10	0	0.00540000000000007	3.64783000000001	3.66	3.033	80.7297	153.7652	3.9439	482.301608390831
Cond-006933	NPD6965	NPD6965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2008902161	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)NCCC(=O)O)c(C)c1c2	InChI=1S/C31H31N3O7/c1-15-18(4)40-28-17(3)29-22(12-21(15)28)16(2)23(31(39)41-29)13-26(35)34-25(30(38)32-10-9-27(36)37)11-19-14-33-24-8-6-5-7-20(19)24/h5-8,12,14,25,33H,9-11,13H2,1-4H3,(H,32,38)(H,34,35)(H,36,37)/t25-/m1/s1	C31H31N3O7	557.594	10	4	150.73	5	11	1	0.2536	4.03793000000001	3.77	3.191	85.4291	158.3822	4.0848	499.597593016697
Cond-006934	NPD6966	NPD6966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.0617516973	COc1ccc(CCNC(=O)N[C@@H](C)C(=O)O)cc1	InChI=1S/C13H18N2O4/c1-9(12(16)17)15-13(18)14-8-7-10-3-5-11(19-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m0/s1	C13H18N2O4	266.293	6	3	87.66	1	8	0	-0.757900000000001	1.24389	2.23	1.447	42.8632	73.5732000000001	2.0511	254.119933850845
Cond-006935	NPD6967	NPD6967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.1116150661	Clc1cc(Cl)c(NC(=O)[C@@H]2CCC(=O)N2C2OC(=O)c3c2cccc3)cc1Cl	InChI=1S/C19H13Cl3N2O4/c20-11-7-13(22)14(8-12(11)21)23-17(26)15-5-6-16(25)24(15)18-9-3-1-2-4-10(9)19(27)28-18/h1-4,7-8,15,18H,5-6H2,(H,23,26)/t15-,18?/m0/s1	C19H13Cl3N2O4	439.677	6	1	75.71	4	4	0	0.594099999999999	4.72759	2.56	3.944	51.9826	107.3207	2.7659	345.013834011746
Cond-006936	NPD6968	NPD6968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3280840634	O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2CN1	InChI=1S/C18H20N2O/c21-18(19-11-10-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)13-20-17/h1-9,17,20H,10-13H2,(H,19,21)/t17-/m0/s1	C18H20N2O	280.364	3	2	41.13	3	5	1	-0.871100000000001	1.95419	3.11	5.532	32.8059	86.4164000000001	2.2763	273.343342075295
Cond-006937	NPD6969	NPD6969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4954221484	O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H19N3O5S/c24-18-7-3-5-16-14-8-13(10-22(16)18)9-21(11-14)19(25)12-23-20(26)15-4-1-2-6-17(15)29(23,27)28/h1-7,13-14H,8-12H2/t13-,14+/m0/s1	C20H19N3O5S	413.447	8	0	103.45	5	3	0	-2.6643	1.75877	2.67	0.0649999999999996	80.0255	104.5245	2.796	356.152626292641
Cond-006938	NPD697	NPD697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9594956815	COc1c(OC)cc(CNC(=O)OC2CCN3Cc4c(cccc4)N=C23)cc1	InChI=1S/C21H23N3O4/c1-26-17-8-7-14(11-19(17)27-2)12-22-21(25)28-18-9-10-24-13-15-5-3-4-6-16(15)23-20(18)24/h3-8,11,18H,9-10,12-13H2,1-2H3,(H,22,25)	C21H23N3O4	381.425	7	1	72.39	4	7	0	-1.0745	2.11949	3	4.035	52.494	107.6417	2.8233	347.605818861146
Cond-006939	NPD6970	NPD6970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2492041581	[C@@H]12CCC3C4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CCC3[C@@]1(C)C=CC(=O)N2	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17-,18-,22+,23-/m1/s1	C23H36N2O2	372.544	4	2	58.2	4	3	0	0.896500000000001	3.97458	3.55	4.65	103.4245	109.8154	3.1029	388.602868007592
Cond-006940	NPD6972	NPD6972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5341578162	O=C(N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c2CCCCc2n[nH]1	InChI=1S/C19H22N4O2/c24-17-7-3-6-16-13-8-12(10-23(16)17)9-22(11-13)19(25)18-14-4-1-2-5-15(14)20-21-18/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,20,21)/t12-,13+/m0/s1	C19H22N4O2	338.404	6	1	69.3	5	2	0	-2.0809	1.67226	2.89	1.299	77.8208	95.8425	2.5013	310.246615117257
Cond-006941	NPD6973	NPD6973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.942051441	Oc1nc(S)nc2c1C1C(COc3c1cccc3)CO2	InChI=1S/C14H12N2O3S/c17-12-11-10-7(6-19-13(11)16-14(20)15-12)5-18-9-4-2-1-3-8(9)10/h1-4,7,10H,5-6H2,(H2,15,16,17,20)	C14H12N2O3S	288.322	5	1	103.27	4	0	0	-0.5419	3.72357	2.34	2.26	30.4459	79.615	1.928	230.52888103055
Cond-006942	NPD6974	NPD6974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.7549370369	O=C1Nc2c(cccc2)C1C1NCCc2c1[nH]c1ccccc21	InChI=1S/C19H17N3O/c23-19-16(13-6-2-4-8-15(13)22-19)18-17-12(9-10-20-18)11-5-1-3-7-14(11)21-17/h1-8,16,18,20-21H,9-10H2,(H,22,23)	C19H17N3O	303.358	4	3	56.92	5	1	0	-1.4035	3.50677	3.11	3.234	30.225	94.7404	2.2568	263.386710806929
Cond-006943	NPD6975	NPD6975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	54.5172831507	COc1cc(ccc1O)/C=C/C(=O)NC(CC(C)C)C(=O)O	InChI=1S/C16H21NO5/c1-10(2)8-12(16(20)21)17-15(19)7-5-11-4-6-13(18)14(9-11)22-3/h4-7,9-10,12,18H,8H2,1-3H3,(H,17,19)(H,20,21)/b7-5+	C16H21NO5	307.342	6	3	95.86	1	8	0	-0.3542	2.08068	2.56	2.364	56.8271	84.8953000000001	2.3897	301.16489552004
Cond-006944	NPD6976	NPD6976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.8382680226	COc1cc(/C=C/C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)ccc1O	InChI=1S/C21H20N2O5/c1-28-19-10-13(6-8-18(19)24)7-9-20(25)23-17(21(26)27)11-14-12-22-16-5-3-2-4-15(14)16/h2-10,12,17,22,24H,11H2,1H3,(H,23,25)(H,26,27)/b9-7+	C21H20N2O5	380.394	7	4	111.65	3	8	0	-1.5407	2.68187	3	2.793	46.2729	108.9163	2.8048	341.582826652741
Cond-006945	NPD6977	NPD6977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.654393329	COc1cc(ccc1O)/C=C/C(=O)NC(CC(=O)O)C1CCOC(C)(C)C1	InChI=1S/C20H27NO6/c1-20(2)12-14(8-9-27-20)15(11-19(24)25)21-18(23)7-5-13-4-6-16(22)17(10-13)26-3/h4-7,10,14-15,22H,8-9,11-12H2,1-3H3,(H,21,23)(H,24,25)/b7-5+	C20H27NO6	377.431	7	3	105.09	2	8	0	-1.1213	2.62988	2.89	2.023	73.4109	102.8123	2.9034	366.782602023269
Cond-006946	NPD6978	NPD6978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.3556075161	COc1cc(/C=C/C(=O)NC(C(=O)O)c2ccccc2)ccc1O	InChI=1S/C18H17NO5/c1-24-15-11-12(7-9-14(15)20)8-10-16(21)19-17(18(22)23)13-5-3-2-4-6-13/h2-11,17,20H,1H3,(H,19,21)(H,22,23)/b10-8+	C18H17NO5	327.331	6	3	95.86	2	7	0	-1.1827	2.06618	2.78	3.414	38.1075	90.0573000000001	2.4339	304.591029968573
Cond-006947	NPD6979	NPD6979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.3141110516	COc1cc2c([nH]c(C(=O)O)c2CCNC(=O)/C=C/c2ccc(O)c(OC)c2)cc1	InChI=1S/C22H22N2O6/c1-29-14-5-6-17-16(12-14)15(21(24-17)22(27)28)9-10-23-20(26)8-4-13-3-7-18(25)19(11-13)30-2/h3-8,11-12,24-25H,9-10H2,1-2H3,(H,23,26)(H,27,28)/b8-4+	C22H22N2O6	410.42	8	4	120.88	3	9	0	-1.2306	2.66997	3	2.278	54.5645	115.6493	3.0044	367.669037979169
Cond-006948	NPD6980	NPD6980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.5778798208	Cc1c(CC(=O)Nc2cc3c(OCCO3)cc2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C25H25NO6/c1-14-17-10-15-6-7-25(2,3)32-20(15)13-21(17)31-24(28)18(14)12-23(27)26-16-4-5-19-22(11-16)30-9-8-29-19/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,26,27)	C25H25NO6	435.469	7	1	83.09	5	4	0	0.5005	6.43634	3.44	3.591	69.0298	126.9847	3.1531	397.383772947802
Cond-006949	NPD6981	NPD6981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.6509564189	CC(=O)c1cc(NC(=O)Cc2c(C)c3cc4c(OC(C)(C)CC4)cc3oc2=O)ccc1	InChI=1S/C25H25NO5/c1-14-19-11-17-8-9-25(3,4)31-21(17)13-22(19)30-24(29)20(14)12-23(28)26-18-7-5-6-16(10-18)15(2)27/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,26,28)	C25H25NO5	419.47	6	1	81.7	4	5	0	0.531599999999998	6.36695000000001	3.55	4.191	67.1376	123.9382	3.16	398.313546247241
Cond-006950	NPD6982	NPD6982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.319914359	Cc1c(CC(=O)Nc2ccc3OCOc3c2)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C24H23NO6/c1-13-16-8-14-6-7-24(2,3)31-19(14)11-20(16)30-23(27)17(13)10-22(26)25-15-4-5-18-21(9-15)29-12-28-18/h4-5,8-9,11H,6-7,10,12H2,1-3H3,(H,25,26)	C24H23NO6	421.443	7	1	83.09	5	4	0	0.482800000000001	6.39384	3.33	3.728	63.8393	122.1177	3.0122	380.087788321935
Cond-006951	NPD6984	NPD6984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.349607009	CCCCc1cc(=O)oc2c(C)c3c(CN(CCc4ccc(Cl)cc4)CO3)cc12	InChI=1S/C24H26ClNO3/c1-3-4-5-18-13-22(27)29-24-16(2)23-19(12-21(18)24)14-26(15-28-23)11-10-17-6-8-20(25)9-7-17/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3	C24H26ClNO3	411.921	4	0	38.77	4	6	1	1.1418	6.02319000000001	3.55	6.025	65.6473	120.093	3.1101	383.921093392285
Cond-006952	NPD6985	NPD6985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.507028763	Cc1c(CCC(=O)NCCCO)c(=O)oc2cc(O)ccc12	InChI=1S/C16H19NO5/c1-10-12-4-3-11(19)9-14(12)22-16(21)13(10)5-6-15(20)17-7-2-8-18/h3-4,9,18-19H,2,5-8H2,1H3,(H,17,20)	C16H19NO5	305.326	6	3	95.86	2	7	0	-1.0955	1.91547	2.56	0.584	53.9935	84.5243	2.2811	288.80843681924
Cond-006953	NPD6986	NPD6986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.7095247486	COc1ccc2c(oc(=O)c(CCC(=O)NC3CC3)c2C)c1	InChI=1S/C17H19NO4/c1-10-13-6-5-12(21-2)9-15(13)22-17(20)14(10)7-8-16(19)18-11-3-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,18,19)	C17H19NO4	301.337	5	1	64.63	3	6	0	-0.5883	2.99847	2.78	1.997	53.0652	85.8637000000001	2.2547	284.957736043745
Cond-006954	NPD6987	NPD6987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.7059469814	COc1ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc2c1C	InChI=1S/C18H21NO4/c1-10-13-6-8-15(22-3)11(2)17(13)23-18(21)14(10)7-9-16(20)19-12-4-5-12/h6,8,12H,4-5,7,9H2,1-3H3,(H,19,20)	C18H21NO4	315.364	5	1	64.63	3	6	0	0.053699999999999	3.58199	2.89	2.109	58.5673	91.8307	2.3956	302.253720669612
Cond-006955	NPD6988	NPD6988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.3750457785	Cc1nn(c(NC(=O)COc2ccc3c(oc(=O)cc3c3ccccc3)c2)c1)c1cccc(C)c1	InChI=1S/C28H23N3O4/c1-18-7-6-10-21(13-18)31-26(14-19(2)30-31)29-27(32)17-34-22-11-12-23-24(20-8-4-3-5-9-20)16-28(33)35-25(23)15-22/h3-16H,17H2,1-2H3,(H,29,32)	C28H23N3O4	465.5	7	1	81.93	5	7	1	0.1784	6.33789000000001	3.77	8.049	43.0703	137.8417	3.44300000000001	418.702500336613
Cond-006956	NPD6989	NPD6989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.0334112742	Cn1n(c(=O)c(NC(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)c1C)c1ccccc1	InChI=1S/C28H27N3O5/c1-15-18(4)35-23-14-24-22(13-21(15)23)16(2)20(28(34)36-24)11-12-25(32)29-26-17(3)30(5)31(27(26)33)19-9-7-6-8-10-19/h6-10,13-14H,11-12H2,1-5H3,(H,29,32)	C28H27N3O5	485.531	8	1	92.09	5	6	0	0.511699999999999	5.18889000000001	3.66	4.742	80.1247	140.3157	3.5877	443.665644438775
Cond-006957	NPD699	NPD699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4729338383	Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C22H19ClO4/c1-13-10-19(26-12-18(24)14-6-8-15(23)9-7-14)21-16-4-2-3-5-17(16)22(25)27-20(21)11-13/h6-11H,2-5,12H2,1H3	C22H19ClO4	382.837	4	0	52.6	4	4	1	0.300900000000001	5.42829	3.33	5.061	52.3689	106.6245	2.7442	344.486131932146
Cond-006958	NPD6990	NPD6990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.4635039581	OC(=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1	InChI=1S/C13H16N2O3/c16-12(17)5-6-14-13(18)11-7-9-3-1-2-4-10(9)8-15-11/h1-4,11,15H,5-8H2,(H,14,18)(H,16,17)/t11-/m0/s1	C13H16N2O3	248.278	5	3	78.43	2	5	0	-1.3317	0.18619	2.34	1.384	40.1226	68.5232	1.8838	232.973248449484
Cond-006959	NPD6991	NPD6991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.4667436685	O=C(Nc1ccc2OCCOc2c1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1	InChI=1S/C23H25N3O4/c27-22(25-17-7-8-20-21(13-17)30-11-10-29-20)19-6-3-9-26(19)23(28)18-12-15-4-1-2-5-16(15)14-24-18/h1-2,4-5,7-8,13,18-19,24H,3,6,9-12,14H2,(H,25,27)/t18-,19-/m0/s1	C23H25N3O4	407.462	7	2	79.9	5	5	0	-2.7796	3.09707	3.22	3.001	57.6042	116.3614	2.9965	369.84132941208
Cond-006960	NPD6992	NPD6992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.1821280672	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCC4CCCO4)cc31)c2=O	InChI=1S/C27H25N3O6/c1-33-21-8-6-18-23(26(21)34-2)27(32)30-20-7-5-15(12-19(20)17-9-10-28-24(18)25(17)30)36-14-22(31)29-13-16-4-3-11-35-16/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,29,31)	C27H25N3O6	487.504	9	1	100.91	6	8	0	-2.4864	3.56639	3.44	2.147	55.9603	136.8917	3.4399	414.539886513469
Cond-006961	NPD6993	NPD6993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.5485252275	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCN4CCOCC4)cc31)c2=O	InChI=1S/C28H28N4O6/c1-35-22-6-4-19-24(27(22)36-2)28(34)32-21-5-3-17(15-20(21)18-7-8-30-25(19)26(18)32)38-16-23(33)29-9-10-31-11-13-37-14-12-31/h3-8,15H,9-14,16H2,1-2H3,(H,29,33)	C28H28N4O6	516.545	10	1	104.15	6	9	0	-1.8004	2.71959000000001	3.44	1.247	68.486	145.1767	3.6806	442.832631347503
Cond-006962	NPD6994	NPD6994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.9541933121	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OCC(=O)NCCCn4ccnc4)cc31)c2=O	InChI=1S/C28H25N5O5/c1-36-22-7-5-19-24(27(22)37-2)28(35)33-21-6-4-17(14-20(21)18-8-10-31-25(19)26(18)33)38-15-23(34)30-9-3-12-32-13-11-29-16-32/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,30,34)	C28H25N5O5	511.529	10	1	109.5	6	10	0	-1.9807	3.67419	3.44	2.072	50.9297	144.7617	3.6357	428.866247453508
Cond-006963	NPD6996	NPD6996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2710651604	CSC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O	InChI=1S/C24H25NO6S/c1-14-17-9-10-20(30-12-21(26)25-19(13-32-3)23(27)28)15(2)22(17)31-24(29)18(14)11-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3,(H,25,26)(H,27,28)/t19-/m0/s1	C24H25NO6S	455.523	7	2	127.23	3	10	1	1.0426	4.06849	3.22	5.47	72.1424	128.4695	3.3499	420.673271080335
Cond-006964	NPD6997	NPD6997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8122939967	COc1c(OCC(=O)c2c(C)[nH]c3c2cccc3)ccc(c1)c1cc(=O)c2c(C)oc(C)c2c(OC)c1	InChI=1S/C30H27NO6/c1-16-28(21-8-6-7-9-22(21)31-16)24(33)15-36-25-11-10-19(13-26(25)34-4)20-12-23(32)29-17(2)37-18(3)30(29)27(14-20)35-5/h6-14,31H,15H2,1-5H3	C30H27NO6	497.538	7	1	90.76	5	7	1	-0.0566000000000004	4.94423000000001	3.99	5.358	72.291	143.1055	3.6856	451.517861273936
Cond-006965	NPD6998	NPD6998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3161393921	CSc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(OC(=O)c2cccs2)c1	InChI=1S/C23H18O4S2/c1-13-21-18(24)11-16(15-6-8-17(28-3)9-7-15)12-19(22(21)14(2)26-13)27-23(25)20-5-4-10-29-20/h4-12H,1-3H3	C23H18O4S2	422.517	4	0	110.05	4	5	1	1.84	5.18061	3.33	5.79	64.6752	117.5565	3.0037	367.416179501179
Cond-006966	NPD6999	NPD6999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.6921148266	O=C(CN1C(=O)S/C(=C\c2ccco2)/C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H19N3O5S/c25-18-5-1-4-16-14-7-13(10-23(16)18)9-22(11-14)19(26)12-24-20(27)17(30-21(24)28)8-15-3-2-6-29-15/h1-6,8,13-14H,7,9-12H2/b17-8-/t13-,14+/m1/s1	C21H19N3O5S	425.458	8	0	116.44	5	4	0	-1.3867	1.21306	2.78	0.191	95.3854	103.2345	2.8939	370.812152217707
Cond-006967	NPD7	NPD7	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3554739888	COC(=O)C1CC2(CC(CC(C(=O)OC)C2=O)(C(=O)O)C1=O)C(=O)O	InChI=1S/C15H16O10/c1-24-10(18)6-3-14(12(20)21)5-15(8(6)16,13(22)23)4-7(9(14)17)11(19)25-2/h6-7H,3-5H2,1-2H3,(H,20,21)(H,22,23)	C15H16O10	356.282	10	2	161.34	2	6	0	-0.915200000000002	-0.72361	2.01	-1.144	75.7018	78.2576	2.3339	315.366825488012
Cond-006968	NPD70	NPD70	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4478056499	COc1c(OCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cccc1	InChI=1S/C20H22N2O4/c1-25-17-6-2-3-7-18(17)26-13-20(24)21-10-14-9-15(12-21)16-5-4-8-19(23)22(16)11-14/h2-8,14-15H,9-13H2,1H3/t14-,15+/m0/s1	C20H22N2O4	354.4	6	0	59.08	4	5	0	-1.8102	2.42166	3	1.147	72.8773	100.366	2.6256	332.849532727913
Cond-006969	NPD700	NPD700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.7181574506	COc1ccc(Nc2c3c4c(cccc4)c(=O)c4c3c([nH]c2=O)ccc4)cc1	InChI=1S/C23H16N2O3/c1-28-14-11-9-13(10-12-14)24-21-20-15-5-2-3-6-16(15)22(26)17-7-4-8-18(19(17)20)25-23(21)27/h2-12,24H,1H3,(H,25,27)	C23H16N2O3	368.385	5	2	67.43	5	3	1	-1.5454	5.31456	3.44	5.668	31.8295	110.2519	2.666	328.608507700152
Cond-006970	NPD7000	NPD7000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.3562836296	CCn1c2c(cccc2)c2c1ccc(NC(=O)COc1ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c1)c2	InChI=1S/C36H28N4O5/c1-4-39-27-8-6-5-7-22(27)25-17-20(9-12-28(25)39)38-31(41)19-45-21-10-13-29-26(18-21)23-15-16-37-33-24-11-14-30(43-2)35(44-3)32(24)36(42)40(29)34(23)33/h5-18H,4,19H2,1-3H3,(H,38,41)	C36H28N4O5	596.631	9	1	96.61	8	8	1	-1.3632	8.04297	4.43	5.859	48.5842	179.9397	4.27390000000001	499.178612047474
Cond-006971	NPD7001	NPD7001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.8859058512	COc1c(OC)c2c(cc1)c1nccc3c1n(c1ccc(OC(C)C(=O)NCCCn4ccnc4)cc31)c2=O	InChI=1S/C29H27N5O5/c1-17(28(35)32-10-4-13-33-14-12-30-16-33)39-18-5-7-22-21(15-18)19-9-11-31-25-20-6-8-23(37-2)27(38-3)24(20)29(36)34(22)26(19)25/h5-9,11-12,14-17H,4,10,13H2,1-3H3,(H,32,35)	C29H27N5O5	525.555	10	1	109.5	6	10	0	-1.8847	4.06269000000001	3.55	2.598	55.5892	149.3567	3.7766	446.162232079375
Cond-006972	NPD7002	NPD7002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.1109389526	OC(=O)CNC(=O)CCCCCNC(=O)N1CCn2c1nc1c2cccc1	InChI=1S/C18H23N5O4/c24-15(20-12-16(25)26)8-2-1-5-9-19-18(27)23-11-10-22-14-7-4-3-6-13(14)21-17(22)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,27)(H,20,24)(H,25,26)	C18H23N5O4	373.406	9	3	116.56	3	11	1	-2.4853	2.89846	2.45	1.031	59.484	105.3402	2.7518	332.70430280148
Cond-006973	NPD7003	NPD7003	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.6379975773	Clc1c(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C25H23ClN2O5/c26-19-8-18-16-3-1-4-17(16)25(31)33-21(18)9-22(19)32-13-24(30)27-10-14-7-15(12-27)20-5-2-6-23(29)28(20)11-14/h2,5-6,8-9,14-15H,1,3-4,7,10-13H2/t14-,15+/m1/s1	C25H23ClN2O5	466.914	7	0	76.15	6	4	0	-1.1918	3.74025	3.33	1.648	97.9896	124.168	3.208	413.344915525041
Cond-006974	NPD7004	NPD7004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4322618813	CC1(C)CC(=O)c2c(O1)cc(OCC(=O)NCc1cnccc1)cc2O	InChI=1S/C19H20N2O5/c1-19(2)8-15(23)18-14(22)6-13(7-16(18)26-19)25-11-17(24)21-10-12-4-3-5-20-9-12/h3-7,9,22H,8,10-11H2,1-2H3,(H,21,24)	C19H20N2O5	356.373	7	2	97.75	3	6	0	-1.2284	2.99197	2.78	0.995	46.1817	100.3072	2.609	323.163774802607
Cond-006975	NPD7005	NPD7005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.2287517255	CSCCC(NC(=O)C(CC(C)C)NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)O	InChI=1S/C23H34N4O5S/c1-13(2)12-17(20(28)25-16(22(30)31)10-11-33-5)26-23(32)27-18-9-7-6-8-15(18)24-21(29)19(27)14(3)4/h6-9,13-14,16-17,19H,10-12H2,1-5H3,(H,24,29)(H,25,28)(H,26,32)(H,30,31)	C23H34N4O5S	478.605	9	4	156.63	2	13	1	-0.237300000000001	4.22467	2.89	4.312	97.1496	136.093	3.6873	458.743175181608
Cond-006976	NPD7006	NPD7006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.7651914246	Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c2c(oc(=O)c(Cc3ccccc3)c2C)c1	InChI=1S/C30H29NO6S/c1-19-13-25(28-20(2)23(30(35)37-26(28)14-19)15-21-9-5-3-6-10-21)36-16-27(32)31-24(29(33)34)18-38-17-22-11-7-4-8-12-22/h3-14,24H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t24-/m0/s1	C30H29NO6S	531.619	7	2	127.23	4	12	2	0.951900000000002	4.74389000000001	3.88	8.524	71.1579	149.6085	3.9577	493.283344032336
Cond-006977	NPD7008	NPD7008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8271403217	COc1cc(NC(=O)C(C)Oc2ccc3n4c5c(ccnc5c5c(c4=O)c(OC)c(OC)cc5)c3c2)c(OC)cc1	InChI=1S/C31H27N3O7/c1-16(30(35)33-22-15-17(37-2)7-10-24(22)38-3)41-18-6-9-23-21(14-18)19-12-13-32-27-20-8-11-25(39-4)29(40-5)26(20)31(36)34(23)28(19)27/h6-16H,1-5H3,(H,33,35)	C31H27N3O7	553.562	10	1	110.14	6	9	0	-1.7367	5.91568	3.77	3.764	54.9868	157.9217	3.9332	473.704675615097
Cond-006978	NPD7009	NPD7009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.7575006339	C[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OCC=C(C)C)cc2oc1=O)C(=O)O	InChI=1S/C20H22ClNO6/c1-10(2)5-6-27-17-9-16-13(7-15(17)21)11(3)14(20(26)28-16)8-18(23)22-12(4)19(24)25/h5,7,9,12H,6,8H2,1-4H3,(H,22,23)(H,24,25)/t12-/m0/s1	C20H22ClNO6	407.845	7	2	101.93	2	8	0	1.8399	3.83506	2.78	2.49	80.1533	108.4365	2.9398	376.720752392102
Cond-006979	NPD701	NPD701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8318518174	CCOc1cc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1O	InChI=1S/C27H32N4O6/c1-4-37-22-11-17(8-9-21(22)32)12-27(24(34)28(2)26(36)29(3)25(27)35)16-30-13-18-10-19(15-30)20-6-5-7-23(33)31(20)14-18/h5-9,11,18-19,32H,4,10,12-16H2,1-3H3/t18-,19-/m0/s1	C27H32N4O6	508.566	10	1	110.7	5	6	0	-1.5883	1.69047	3.33	0.16	112.1638	136.0248	3.7343	475.866022824036
Cond-006980	NPD7010	NPD7010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.531791419	CC(C)[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C23H25N5O4/c1-14(2)18(20(29)25-19(21(30)31)15-8-4-3-5-9-15)26-23(32)28-13-12-27-17-11-7-6-10-16(17)24-22(27)28/h3-11,14,18-19H,12-13H2,1-2H3,(H,25,29)(H,26,32)(H,30,31)/t18-,19-/m0/s1	C23H25N5O4	435.476	9	3	116.56	4	9	0	-1.2072	3.76286	3	3.991	57.8392	124.1692	3.2187	388.018391127613
Cond-006981	NPD7011	NPD7011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.6525058456	CC(C)[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@@H](C(=O)O)c1ccccc1	InChI=1S/C23H25N5O4/c1-14(2)18(20(29)25-19(21(30)31)15-8-4-3-5-9-15)26-23(32)28-13-12-27-17-11-7-6-10-16(17)24-22(27)28/h3-11,14,18-19H,12-13H2,1-2H3,(H,25,29)(H,26,32)(H,30,31)/t18-,19+/m0/s1	C23H25N5O4	435.476	9	3	116.56	4	9	0	-1.2072	3.76286	3	3.991	57.8392	124.1692	3.2187	388.018391127613
Cond-006982	NPD7012	NPD7012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.0800349325	CC(C)[C@@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1c2cccc1)C(=O)O	InChI=1S/C21H29N5O4/c1-14(2)18(19(28)29)24-17(27)10-4-3-7-11-22-21(30)26-13-12-25-16-9-6-5-8-15(16)23-20(25)26/h5-6,8-9,14,18H,3-4,7,10-13H2,1-2H3,(H,22,30)(H,24,27)(H,28,29)/t18-/m1/s1	C21H29N5O4	415.486	9	3	116.56	3	12	1	-1.8677	3.92306	2.78	2.212	72.5126	119.0992	3.1745	384.59225667908
Cond-006983	NPD7013	NPD7013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.5253119982	COc1c(OC)cc2C(C)N(CCc2c1)C(=O)c1ncccc1	InChI=1S/C18H20N2O3/c1-12-14-11-17(23-3)16(22-2)10-13(14)7-9-20(12)18(21)15-6-4-5-8-19-15/h4-6,8,10-12H,7,9H2,1-3H3	C18H20N2O3	312.363	5	0	51.66	3	4	0	-0.4703	2.48559	2.89	2.641	40.5337	89.1820000000001	2.3937	290.923795476418
Cond-006984	NPD7014	NPD7014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.457362594	CC(=O)NC1C(Oc2cc3c(ccc(C)n3)cc2)OC(CO)C(O)C1O	InChI=1S/C18H22N2O6/c1-9-3-4-11-5-6-12(7-13(11)19-9)25-18-15(20-10(2)22)17(24)16(23)14(8-21)26-18/h3-7,14-18,21,23-24H,8H2,1-2H3,(H,20,22)	C18H22N2O6	362.377	8	4	121.14	3	5	0	-1.9323	0.725190000000001	2.56	1.452	51.0117	97.7211	2.6128	319.930934278902
Cond-006985	NPD7015	NPD7015	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	46.8659323323	COC(=O)/C=C/c1ccc(OC2OC(CO)C(O)C(O)C2NC(=O)C)c(OC)c1	InChI=1S/C19H25NO9/c1-10(22)20-16-18(25)17(24)14(9-21)29-19(16)28-12-6-4-11(8-13(12)26-2)5-7-15(23)27-3/h4-8,14,16-19,21,24-25H,9H2,1-3H3,(H,20,22)/b7-5+	C19H25NO9	411.403	10	4	143.78	2	9	0	-2.0513	-0.74492	2.45	0.653	74.8269	102.2181	2.9386	375.857297499085
Cond-006986	NPD7016	NPD7016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.2184973378	COc1c2OCOc2cc2c1C(CC(=O)c1cccnc1)N(C)CC2	InChI=1S/C19H20N2O4/c1-21-7-5-12-8-16-18(25-11-24-16)19(23-2)17(12)14(21)9-15(22)13-4-3-6-20-10-13/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3	C19H20N2O4	340.373	6	0	60.89	4	4	0	-0.251200000000001	3.30448	2.89	1.329	45.8397	98.008	2.4847	304.653548102046
Cond-006987	NPD7017	NPD7017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.9924500662	Cc1cc(O)c(C2OC(=O)c3c2cccc3)c(=O)o1	InChI=1S/C14H10O5/c1-7-6-10(15)11(14(17)18-7)12-8-4-2-3-5-9(8)13(16)19-12/h2-6,12,15H,1H3	C14H10O5	258.226	5	1	72.83	3	1	0	-0.0630000000000003	1.91597	2.45	2.574	42.0641	66.0273	1.7479	228.226789957739
Cond-006988	NPD7018	NPD7018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.3537200327	COc1cc2c(cc1OC)C(NCC2)c1c(C)[nH]nc1O	InChI=1S/C15H19N3O3/c1-8-13(15(19)18-17-8)14-10-7-12(21-3)11(20-2)6-9(10)4-5-16-14/h6-7,14,16H,4-5H2,1-3H3,(H2,17,18,19)	C15H19N3O3	289.33	6	3	79.4	3	3	0	-0.748400000000001	1.44112	2.45	1.648	42.0906	79.7077	2.1568	255.305519208584
Cond-006989	NPD702	NPD702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2140060896	CCCCCCc1c(OCc2ccc(OC)cc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C26H30O4/c1-3-4-5-6-8-19-15-23-21-9-7-10-22(21)26(27)30-25(23)16-24(19)29-17-18-11-13-20(28-2)14-12-18/h11-16H,3-10,17H2,1-2H3	C26H30O4	406.514	4	0	44.76	4	9	1	-1.4103	6.96676000000001	3.88	7.101	62.8701	123.567	3.2284	401.09546136598
Cond-006990	NPD7020	NPD7020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.7527114967	CC(=O)c1cc(NC(=O)Cc2c(C)c3cc4c(oc(C)c4C)c(C)c3oc2=O)ccc1	InChI=1S/C25H23NO5/c1-12-16(5)30-23-14(3)24-20(10-19(12)23)13(2)21(25(29)31-24)11-22(28)26-18-8-6-7-17(9-18)15(4)27/h6-10H,11H2,1-5H3,(H,26,28)	C25H23NO5	417.454	6	1	85.61	4	5	0	1.343	5.57362000000001	3.55	3.923	60.7891	121.9702	3.117	384.777087546441
Cond-006991	NPD7021	NPD7021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.3311829169	CC(=CCOc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C)C	InChI=1S/C23H27NO6/c1-13(2)9-11-29-19-8-7-16-14(3)17(23(28)30-21(16)15(19)4)12-20(25)24-10-5-6-18(24)22(26)27/h7-9,18H,5-6,10-12H2,1-4H3,(H,26,27)/t18-/m0/s1	C23H27NO6	413.464	7	1	93.14	3	7	0	1.1219	4.25148000000001	3.22	2.731	84.6765	116.5238	3.1315	401.041179798469
Cond-006992	NPD7022	NPD7022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.2555427219	CC(=CCOc1c(Cl)cc2c(oc(=O)c(CC(=O)N3CCC(CC3)C(=O)N)c2C)c1)C	InChI=1S/C23H27ClN2O5/c1-13(2)6-9-30-20-12-19-16(10-18(20)24)14(3)17(23(29)31-19)11-21(27)26-7-4-15(5-8-26)22(25)28/h6,10,12,15H,4-5,7-9,11H2,1-3H3,(H2,25,28)	C23H27ClN2O5	446.924	7	2	98.93	3	7	0	0.8532	3.96966	3.11	1.912	90.0232	121.6944	3.295	418.458781076508
Cond-006993	NPD7023	NPD7023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	59.0697805448	CC(=CCOc1c(Cl)cc2c(oc(=O)c(CC(=O)NC[C@H]3CC[C@@H](CC3)C(=O)O)c2C)c1)C	InChI=1S/C25H30ClNO6/c1-14(2)8-9-32-22-12-21-18(10-20(22)26)15(3)19(25(31)33-21)11-23(28)27-13-16-4-6-17(7-5-16)24(29)30/h8,10,12,16-17H,4-7,9,11,13H2,1-3H3,(H,27,28)(H,29,30)/t16-,17-	C25H30ClNO6	475.962	7	2	101.93	3	9	0	2.5289	5.25296000000001	3.33	3.446	99.8756	129.2895	3.5357	450.844216820636
Cond-006994	NPD7024	NPD7024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.5362424994	CSCC[C@H](NC(=O)N1CCn2c1nc1c2cccc1)C(=O)N[C@@H](CO)C(=O)O	InChI=1S/C18H23N5O5S/c1-29-9-6-12(15(25)19-13(10-24)16(26)27)21-18(28)23-8-7-22-14-5-3-2-4-11(14)20-17(22)23/h2-5,12-13,24H,6-10H2,1H3,(H,19,25)(H,21,28)(H,26,27)/t12-,13-/m0/s1	C18H23N5O5S	421.471	10	4	162.09	3	11	1	-1.8123	1.82066	2.23	0.69	71.9622	114.799	2.974	360.003553559641
Cond-006995	NPD7025	NPD7025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.2388089134	Clc1c(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2oc(=O)c3c(CCCC3)c2c1	InChI=1S/C26H25ClN2O5/c27-20-9-19-17-4-1-2-5-18(17)26(32)34-22(19)10-23(20)33-14-25(31)28-11-15-8-16(13-28)21-6-3-7-24(30)29(21)12-15/h3,6-7,9-10,15-16H,1-2,4-5,8,11-14H2/t15-,16+/m1/s1	C26H25ClN2O5	480.94	7	0	76.15	6	4	0	-1.4798	4.13035000000001	3.44	2.217	100.9012	128.785	3.3489	430.640900150908
Cond-006996	NPD7026	NPD7026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.2587824323	CC(=O)c1cc(NC(=O)COc2cc3c(C(=O)CC(C)(C)O3)c(O)c2)ccc1	InChI=1S/C21H21NO6/c1-12(23)13-5-4-6-14(7-13)22-19(26)11-27-15-8-16(24)20-17(25)10-21(2,3)28-18(20)9-15/h4-9,24H,10-11H2,1-3H3,(H,22,26)	C21H21NO6	383.395	7	2	101.93	3	6	0	-1.4939	5.06146	3	1.95	52.2399	110.2987	2.8067	352.912751845935
Cond-006997	NPD7027	NPD7027	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.696565907	CCC(C)C(NC(=O)N1C(C(C)C)C(=Nc2ccccc12)O)C(=O)OC	InChI=1S/C19H27N3O4/c1-6-12(4)15(18(24)26-5)21-19(25)22-14-10-8-7-9-13(14)20-17(23)16(22)11(2)3/h7-12,15-16H,6H2,1-5H3,(H,20,23)(H,21,25)	C19H27N3O4	361.435	7	2	91.23	2	8	0	-0.542700000000001	4.07517	2.78	3.753	68.6664	105.5435	2.8447	353.899684412613
Cond-006998	NPD7028	NPD7028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.6586472096	COc1cc(c(OC)cc1)c1nc(cc2c1[nH]c1ccccc21)C(=O)NCc1ccco1	InChI=1S/C25H21N3O4/c1-30-15-9-10-22(31-2)19(12-15)24-23-18(17-7-3-4-8-20(17)27-23)13-21(28-24)25(29)26-14-16-6-5-11-32-16/h3-13,27H,14H2,1-2H3,(H,26,29)	C25H21N3O4	427.452	7	2	89.38	5	7	0	-1.3013	4.90987000000001	3.44	4.229	31.7044	130.1107	3.10630000000001	361.187463860613
Cond-006999	NPD7029	NPD7029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.285094515	Cc1c(CCC(=O)NCCCO)c(=O)oc2c(C)c(O)ccc12	InChI=1S/C17H21NO5/c1-10-12-4-6-14(20)11(2)16(12)23-17(22)13(10)5-7-15(21)18-8-3-9-19/h4,6,19-20H,3,5,7-9H2,1-2H3,(H,18,21)	C17H21NO5	319.352	6	3	95.86	2	7	0	-0.453500000000001	2.36879	2.67	0.696	59.4956	90.8495	2.422	306.104421445107
Cond-007000	NPD703	NPD703	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.7848963169	CCc1c(OCc2cc(OC)c(OC)c(OC)c2)cc2oc(=O)cc(c3ccccc3)c2c1	InChI=1S/C27H26O6/c1-5-18-13-21-20(19-9-7-6-8-10-19)14-26(28)33-23(21)15-22(18)32-16-17-11-24(29-2)27(31-4)25(12-17)30-3/h6-15H,5,16H2,1-4H3	C27H26O6	446.492	6	0	63.22	4	8	1	0.0833999999999995	5.91776	3.77	6.905	53.9443	130.953	3.3577	417.162523290569
Cond-007001	NPD7030	NPD7030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.9651238133	COc1ccc2c(C)c(CCC(=O)NCCCN3CCCC3=O)c(=O)oc2c1C	InChI=1S/C22H28N2O5/c1-14-16-7-9-18(28-3)15(2)21(16)29-22(27)17(14)8-10-19(25)23-11-5-13-24-12-4-6-20(24)26/h7,9H,4-6,8,10-13H2,1-3H3,(H,23,25)	C22H28N2O5	400.468	7	1	84.94	3	9	0	-0.461100000000002	3.43209	3.11	1.544	81.2967	114.1067	3.0747	388.588187381008
Cond-007002	NPD7032	NPD7032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	66.1238977942	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NC1CCCC1	InChI=1S/C26H23N3O4/c1-32-20-12-11-16-21(24(20)33-2)26(31)29-19-10-6-5-9-15(19)17-13-18(28-22(16)23(17)29)25(30)27-14-7-3-4-8-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,27,30)	C26H23N3O4	441.479	7	1	82.45	6	5	0	-2.5756	5.37517	3.55	3.951	44.5589	131.2172	3.1816	379.66344848648
Cond-007003	NPD7033	NPD7033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.3624249937	COCCCNC(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(ccc(OC)c2OC)c3n1	InChI=1S/C25H23N3O5/c1-31-12-6-11-26-24(29)17-13-16-14-7-4-5-8-18(14)28-22(16)21(27-17)15-9-10-19(32-2)23(33-3)20(15)25(28)30/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,26,29)	C25H23N3O5	445.467	8	1	91.68	5	8	0	-1.6898	4.46907	3.33	2.86	49.1664	130.3212	3.208	383.514149261975
Cond-007004	NPD7034	NPD7034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.6905653999	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2O1	InChI=1S/C30H32N2O6/c1-30(2)10-9-21-23(38-30)12-24(27-19-5-3-6-20(19)29(35)37-28(21)27)36-16-26(34)31-13-17-11-18(15-31)22-7-4-8-25(33)32(22)14-17/h4,7-8,12,17-18H,3,5-6,9-11,13-16H2,1-2H3/t17-,18+/m1/s1	C30H32N2O6	516.585	8	0	85.38	7	4	0	-1.1781	4.69124000000001	3.88	2.18	117.0783	144.247	3.7402	481.047538883703
Cond-007005	NPD7035	NPD7035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3760599487	CC(=C)COc1ccc2c(C)c(CC(=O)NCc3ccc(cc3)S(=O)(=O)N)c(=O)oc2c1C	InChI=1S/C24H26N2O6S/c1-14(2)13-31-21-10-9-19-15(3)20(24(28)32-23(19)16(21)4)11-22(27)26-12-17-5-7-18(8-6-17)33(25,29)30/h5-10H,1,11-13H2,2-4H3,(H,26,27)(H2,25,29,30)	C24H26N2O6S	470.538	8	3	133.17	3	9	0	0.756	3.36208000000001	3.11	2.222	73.7793	123.0291	3.4497	431.670031288502
Cond-007006	NPD7036	NPD7036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.4399526721	CC(=CCOc1ccc2c(C)c(CCC(=O)NCCN3CCOCC3)c(=O)oc2c1C)C	InChI=1S/C25H34N2O5/c1-17(2)9-14-31-22-7-5-20-18(3)21(25(29)32-24(20)19(22)4)6-8-23(28)26-10-11-27-12-15-30-16-13-27/h5,7,9H,6,8,10-16H2,1-4H3,(H,26,28)	C25H34N2O5	442.548	7	1	77.1	3	10	0	2.0743	4.01438000000001	3.44	2.22	101.2547	129.0387	3.4974	440.476141258608
Cond-007007	NPD7037	NPD7037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8525790912	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC3CCCO3)ccc12	InChI=1S/C30H35N3O8/c1-18(2)29(30(37)32-15-22-5-4-12-39-22)33-26(34)16-31-27(35)17-40-21-10-11-23-24(14-28(36)41-25(23)13-21)19-6-8-20(38-3)9-7-19/h6-11,13-14,18,22,29H,4-5,12,15-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,34)/t22?,29-/m0/s1	C30H35N3O8	565.614	11	3	141.29	4	15	1	-2.781	2.52887000000001	3.55	2.832	93.5537	153.6491	4.1972	530.521211193792
Cond-007008	NPD7038	NPD7038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.8888075049	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)n3ccnc3)c(C)c1c2	InChI=1S/C20H18N2O4/c1-11-13(3)25-17-9-18-16(8-15(11)17)12(2)14(20(24)26-18)4-5-19(23)22-7-6-21-10-22/h6-10H,4-5H2,1-3H3	C20H18N2O4	350.368	6	0	74.33	4	4	0	1.0173	4.03121	3	2.355	49.382	100.4815	2.5396	305.776615326313
Cond-007009	NPD7039	NPD7039	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.2412316534	Cc1c(c2c([nH]1)cccc2)C1(O)C(=O)N(Cc2cccs2)c2c1cccc2	InChI=1S/C22H18N2O2S/c1-14-20(16-8-2-4-10-18(16)23-14)22(26)17-9-3-5-11-19(17)24(21(22)25)13-15-7-6-12-27-15/h2-12,23,26H,13H2,1H3	C22H18N2O2S	374.456	4	2	84.57	5	3	1	-0.7587	3.43281	3.33	5.08	33.8473	106.9118	2.7159	315.404237832924
Cond-007010	NPD704	NPD704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.149193933	CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16?,17?,18?,20-,21?,22?,23+,24+,25-/m1/s1	C25H34O6	430.534	6	2	93.06	5	4	0	-1.4041	2.80307	3.55	1.914	111.7147	115.5696	3.2683	421.369306243636
Cond-007011	NPD7040	NPD7040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.2632335127	CCCCCCNC(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(ccc(OC)c2OC)c3n1	InChI=1S/C27H27N3O4/c1-4-5-6-9-14-28-26(31)19-15-18-16-10-7-8-11-20(16)30-24(18)23(29-19)17-12-13-21(33-2)25(34-3)22(17)27(30)32/h7-8,10-13,15H,4-6,9,14H2,1-3H3,(H,28,31)	C27H27N3O4	457.521	7	1	82.45	5	9	1	-2.4623	6.01287000000001	3.66	5.18	51.7719	137.9702	3.4311	409.315891813147
Cond-007012	NPD7041	NPD7041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.8782150604	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C29H21N3O6/c1-35-22-10-8-17-24(27(22)36-2)29(34)32-20-6-4-3-5-16(20)18-12-19(31-25(17)26(18)32)28(33)30-13-15-7-9-21-23(11-15)38-14-37-21/h3-12H,13-14H2,1-2H3,(H,30,33)	C29H21N3O6	507.494	9	1	100.91	7	6	0	-1.6643	5.52276	3.66	4.006	41.6989	146.5352	3.4841	417.966020962002
Cond-007013	NPD7042	NPD7042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4773361129	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(CC1)c1ccc(F)cc1	InChI=1S/C31H25FN4O4/c1-39-25-12-11-21-26(29(25)40-2)31(38)36-24-6-4-3-5-20(24)22-17-23(33-27(21)28(22)36)30(37)35-15-13-34(14-16-35)19-9-7-18(32)8-10-19/h3-12,17H,13-16H2,1-2H3	C31H25FN4O4	536.553	8	0	76.9	7	5	0	-0.833899999999999	6.33136000000001	3.88	4.768	52.1339	156.4355	3.766	452.041855871087
Cond-007014	NPD7044	NPD7044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1114178663	OC(=O)[C@H](Cc1ccccc1)Nc1c2[nH]cnc2ncn1	InChI=1S/C14H13N5O2/c20-14(21)10(6-9-4-2-1-3-5-9)19-13-11-12(16-7-15-11)17-8-18-13/h1-5,7-8,10H,6H2,(H,20,21)(H2,15,16,17,18,19)/t10-/m0/s1	C14H13N5O2	283.285	7	3	103.79	3	5	0	-1.1753	2.21797	2.23	2.899	22.0075	81.8355	2.0278	232.403452196089
Cond-007015	NPD7045	NPD7045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1616192918	CC(=O)NC1C(O)C(O)C(CO)OC1Oc1cc2c(cc1)C1CCC3(C)C(CCC3=O)C1CC2	InChI=1S/C26H35NO7/c1-13(29)27-22-24(32)23(31)20(12-28)34-25(22)33-15-4-6-16-14(11-15)3-5-18-17(16)9-10-26(2)19(18)7-8-21(26)30/h4,6,11,17-20,22-25,28,31-32H,3,5,7-10,12H2,1-2H3,(H,27,29)	C26H35NO7	473.559	8	4	125.32	5	5	0	-1.8117	2.16898000000001	3.44	3.14	96.3318	127.3631	3.5247	444.91581907743
Cond-007016	NPD7046	NPD7046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9060202271	CC(=O)NC1C(O)C(O)C(CO)OC1Oc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1	InChI=1S/C23H23NO9/c1-11(26)24-20-22(30)21(29)18(10-25)33-23(20)31-13-7-14(27)19-15(28)9-16(32-17(19)8-13)12-5-3-2-4-6-12/h2-9,18,20-23,25,27,29-30H,10H2,1H3,(H,24,26)	C23H23NO9	457.43	10	5	154.78	4	6	0	-3.3357	0.617370000000003	2.89	2.264	64.3801	117.4979	3.15600000000001	401.518942498552
Cond-007017	NPD7047	NPD7047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.8941318985	[C@@H]12CCc3c(ccc(OCC#CC4N(C)CCc5cc6c(OCO6)c(OC)c45)c3)[C@H]1CC[C@]1(C)C(O)C(O)CC21	InChI=1S/C33H39NO6/c1-33-12-10-23-22-9-7-21(15-19(22)6-8-24(23)25(33)17-27(35)32(33)36)38-14-4-5-26-29-20(11-13-34(26)2)16-28-30(31(29)37-3)40-18-39-28/h7,9,15-16,23-27,32,35-36H,6,8,10-14,17-18H2,1-3H3/t23-,24-,25?,26?,27?,32?,33+/m1/s1	C33H39NO6	545.666	7	2	80.62	7	3	1	0.193400000000001	5.01788000000001	4.32	5.555	103.9216	152.8836	4.1061	513.675191253936
Cond-007018	NPD7048	NPD7048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9893512128	CC(=C)COc1ccc2c(oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c2C)c1	InChI=1S/C21H23NO6/c1-12(2)11-27-14-6-7-15-13(3)16(21(26)28-18(15)9-14)10-19(23)22-8-4-5-17(22)20(24)25/h6-7,9,17H,1,4-5,8,10-11H2,2-3H3,(H,24,25)/t17-/m0/s1	C21H23NO6	385.41	7	1	93.14	3	7	0	0.0776000000000001	3.27786	3	1.884	73.5009	105.9398	2.8497	366.449210546735
Cond-007019	NPD7049	NPD7049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7446826492	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)N3CCC(CC3)C(=O)O)c2C)c1	InChI=1S/C23H27NO6/c1-14(2)13-29-17-4-5-18-15(3)19(23(28)30-20(18)12-17)6-7-21(25)24-10-8-16(9-11-24)22(26)27/h4-5,12,16H,1,6-11,13H2,2-3H3,(H,26,27)	C23H27NO6	413.464	7	1	93.14	3	8	0	0.164000000000001	3.91556000000001	3.22	1.978	83.3773	115.1258	3.1315	401.041179798469
Cond-007020	NPD705	NPD705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5399049287	O=N(=O)c1c(cccc1)S(=O)(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C17H15N3O4S/c21-20(22)16-7-3-4-8-17(16)25(23,24)19-10-9-15-13(11-19)12-5-1-2-6-14(12)18-15/h1-8,18H,9-11H2	C17H15N3O4S	357.384	7	1	104.69	4	3	0	-0.9616	2.77978	2.45	3.547	30.6676	90.982	2.4232	286.030904415279
Cond-007021	NPD7050	NPD7050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.9721384906	COc1cc2c([nH]cc2CCNC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc1	InChI=1S/C24H26N2O6/c1-24(2)11-20(28)23-19(27)9-16(10-21(23)32-24)31-13-22(29)25-7-6-14-12-26-18-5-4-15(30-3)8-17(14)18/h4-5,8-10,12,26-27H,6-7,11,13H2,1-3H3,(H,25,29)	C24H26N2O6	438.473	8	3	109.88	4	8	0	-1.445	4.39216	3.22	1.748	61.2493	128.0172	3.2206	392.541007230902
Cond-007022	NPD7051	NPD7051	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0380032115	CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccnc3)cc2O1	InChI=1S/C18H18N2O5/c1-18(2)8-14(22)17-13(21)6-12(7-15(17)25-18)24-10-16(23)20-11-4-3-5-19-9-11/h3-7,9,21H,8,10H2,1-2H3,(H,20,23)	C18H18N2O5	342.346	7	2	97.75	3	5	0	-1.24	4.25386	2.67	1.052	41.4695	98.0892	2.4681	305.86779017674
Cond-007023	NPD7052	NPD7052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.524438685	CC(CCc1ccccc1)NC(=O)COc1cc2c(C(=O)CC(C)(C)O2)c(O)c1	InChI=1S/C23H27NO5/c1-15(9-10-16-7-5-4-6-8-16)24-21(27)14-28-17-11-18(25)22-19(26)13-23(2,3)29-20(22)12-17/h4-8,11-12,15,25H,9-10,13-14H2,1-3H3,(H,24,27)	C23H27NO5	397.464	6	2	84.86	3	8	0	-1.4647	4.75757000000001	3.33	4.833	58.5431	117.3472	3.0728	381.350953097908
Cond-007024	NPD7053	NPD7053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.1520973603	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)Nc3cccnc3)c2C)c1	InChI=1S/C22H22N2O4/c1-14(2)13-27-17-6-7-18-15(3)19(22(26)28-20(18)11-17)8-9-21(25)24-16-5-4-10-23-12-16/h4-7,10-12H,1,8-9,13H2,2-3H3,(H,24,25)	C22H22N2O4	378.421	6	1	77.52	3	8	0	1.1013	5.22615	3.22	2.856	57.2888	111.2957	2.887	360.988584578046
Cond-007025	NPD7054	NPD7054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.6171507451	CC(C)C(NC(=O)N1CC(=Nc2ccccc12)O)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C24H27N5O3/c1-15(2)22(23(31)25-12-11-16-13-26-18-8-4-3-7-17(16)18)28-24(32)29-14-21(30)27-19-9-5-6-10-20(19)29/h3-10,13,15,22,26H,11-12,14H2,1-2H3,(H,25,31)(H,27,30)(H,28,32)	C24H27N5O3	433.503	8	4	109.82	4	9	0	-1.2833	3.61506000000001	3.22	3.759	60.4771	131.2482	3.3009	396.524149052919
Cond-007026	NPD7056	NPD7056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6050100649	C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O	InChI=1S/C14H17N3O3/c1-9(13(18)19)17-14(20)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,16H,6-7H2,1H3,(H,18,19)(H2,15,17,20)/t9-/m0/s1	C14H17N3O3	275.303	6	4	94.22	2	7	0	-1.1265	1.00398	2.34	1.545	38.8474	79.9622000000001	2.0815	247.729534582717
Cond-007027	NPD7057	NPD7057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3889510177	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)Nc1c2[nH]cnc2ncn1	InChI=1S/C16H14N6O2/c23-16(24)12(5-9-6-17-11-4-2-1-3-10(9)11)22-15-13-14(19-7-18-13)20-8-21-15/h1-4,6-8,12,17H,5H2,(H,23,24)(H2,18,19,20,21,22)/t12-/m0/s1	C16H14N6O2	322.321	8	4	119.58	4	5	0	-1.5957	2.62256	2.34	1.498	25.3075	95.1655	2.2578	252.09926425439
Cond-007028	NPD7058	NPD7058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7273540595	CC(C)c1ccc(C)cc1OCCCN1CCCCC1c1cnccc1	InChI=1S/C23H32N2O/c1-18(2)21-11-10-19(3)16-23(21)26-15-7-14-25-13-5-4-9-22(25)20-8-6-12-24-17-20/h6,8,10-12,16-18,22H,4-5,7,9,13-15H2,1-3H3	C23H32N2O	352.513	3	0	25.36	3	7	1	-0.0936000000000019	5.38881000000001	3.66	6.066	53.4679	107.968	3.0238	362.45972390543
Cond-007029	NPD7059	NPD7059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1912323865	COc1cc(OCCCN2CCCCC2c2cnccc2)ccc1	InChI=1S/C20H26N2O2/c1-23-18-8-4-9-19(15-18)24-14-6-13-22-12-3-2-10-20(22)17-7-5-11-21-16-17/h4-5,7-9,11,15-16,20H,2-3,6,10,12-14H2,1H3	C20H26N2O2	326.433	4	0	34.59	3	7	0	-1.3603	4.24599000000001	3.22	3.899	41.0138	96.7910000000001	2.6598	319.361996728391
Cond-007030	NPD706	NPD706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	40.9550045914	Cc1c(Cc2ccccc2)c(=O)oc2cc3c(cc12)c(co3)c1ccc(F)cc1	InChI=1S/C25H17FO3/c1-15-19-12-21-22(17-7-9-18(26)10-8-17)14-28-23(21)13-24(19)29-25(27)20(15)11-16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3	C25H17FO3	384.399	3	0	39.44	5	3	1	1.4093	6.77447	3.77	7.671	26.7648	115.109	2.7659	336.374515385858
Cond-007031	NPD7060	NPD7060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.23484679	COc1cc2c(cc1OC)C(NCC2)c1c(O)oc2c(cccc2)c1=O	InChI=1S/C20H19NO5/c1-24-15-9-11-7-8-21-18(13(11)10-16(15)25-2)17-19(22)12-5-3-4-6-14(12)26-20(17)23/h3-6,9-10,18,21,23H,7-8H2,1-2H3	C20H19NO5	353.369	6	2	77.02	4	3	0	-0.5599	2.48898	3	3.198	46.8757	97.0225000000001	2.5415	317.106540519507
Cond-007032	NPD7061	NPD7061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9675687766	Fc1c(cccc1)N1CCN(CC1)C(=O)c1cc2c3n(c4ccccc24)c(=O)c2c(cccc2)c3n1	InChI=1S/C29H21FN4O2/c30-22-10-4-6-12-25(22)32-13-15-33(16-14-32)29(36)23-17-21-18-7-3-5-11-24(18)34-27(21)26(31-23)19-8-1-2-9-20(19)28(34)35/h1-12,17H,13-16H2	C29H21FN4O2	476.501	6	0	58.44	7	3	1	-0.7303	6.31416000000001	3.88	6.078	37.5023	143.3315	3.3668	399.869433218231
Cond-007033	NPD7062	NPD7062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.969581749	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCCCOC(C)C	InChI=1S/C27H27N3O5/c1-15(2)35-13-7-12-28-26(31)19-14-18-16-8-5-6-9-20(16)30-24(18)23(29-19)17-10-11-21(33-3)25(34-4)22(17)27(30)32/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,28,31)	C27H27N3O5	473.52	8	1	91.68	5	9	0	-1.7399	5.24767000000001	3.55	3.743	58.665	139.5332	3.4898	418.106118513708
Cond-007034	NPD7063	NPD7063	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.00805189	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)NCCC1=CCCCC1	InChI=1S/C29H27N3O4/c1-35-23-13-12-19-24(27(23)36-2)29(34)32-22-11-7-6-10-18(22)20-16-21(31-25(19)26(20)32)28(33)30-15-14-17-8-4-3-5-9-17/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H,30,33)	C29H27N3O4	481.542	7	1	82.45	6	7	0	-1.0918	6.24926000000001	3.88	4.85	62.9175	144.7262	3.5613	428.91494366328
Cond-007035	NPD7064	NPD7064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2370834265	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(CC1)c1ccccc1	InChI=1S/C31H26N4O4/c1-38-25-13-12-21-26(29(25)39-2)31(37)35-24-11-7-6-10-20(24)22-18-23(32-27(21)28(22)35)30(36)34-16-14-33(15-17-34)19-8-4-3-5-9-19/h3-13,18H,14-17H2,1-2H3	C31H26N4O4	518.563	8	0	76.9	7	5	1	-1.3136	6.19226000000001	3.99	5.02	51.2614	156.4775	3.7483	445.97429702078
Cond-007036	NPD7065	NPD7065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.3943189443	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(CC1)c1cccc(C)c1C	InChI=1S/C33H30N4O4/c1-19-8-7-11-25(20(19)2)35-14-16-36(17-15-35)32(38)24-18-23-21-9-5-6-10-26(21)37-30(23)29(34-24)22-12-13-27(40-3)31(41-4)28(22)33(37)39/h5-13,18H,14-17H2,1-4H3	C33H30N4O4	546.616	8	0	76.9	7	5	1	-0.0295999999999982	6.30301000000001	4.21	5.455	62.2656	164.0235	4.0301	480.566266272514
Cond-007037	NPD7066	NPD7066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3448892865	COc1c(OC)c2c(cc1)c1nc(cc3c1n(c1ccccc31)c2=O)C(=O)N1CCN(CC1)c1cc(Cl)ccc1	InChI=1S/C31H25ClN4O4/c1-39-25-11-10-21-26(29(25)40-2)31(38)36-24-9-4-3-8-20(24)22-17-23(33-27(21)28(22)36)30(37)35-14-12-34(13-15-35)19-7-5-6-18(32)16-19/h3-11,16-17H,12-15H2,1-2H3	C31H25ClN4O4	553.008	8	0	76.9	7	5	0	-0.569299999999999	6.84566	3.88	4.905	56.877	161.4875	3.8707	461.185364791214
Cond-007038	NPD7068	NPD7068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.0013419817	CC1(C)CC(=O)c2c(O1)cc(OCC(=O)NCc1c(Cl)cccc1)cc2O	InChI=1S/C20H20ClNO5/c1-20(2)9-16(24)19-15(23)7-13(8-17(19)27-20)26-11-18(25)22-10-12-5-3-4-6-14(12)21/h3-8,23H,9-11H2,1-2H3,(H,22,25)	C20H20ClNO5	389.829	6	2	84.86	3	6	0	-0.4841	4.25037	2.89	2.698	51.7973	107.5222	2.7725	344.674066990741
Cond-007039	NPD7069	NPD7069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2399910535	COC(=O)[C@H](CCSC)NC(=O)N1CCc2cc(OC)c(OC)cc2C1c1ccccc1	InChI=1S/C24H30N2O5S/c1-29-20-14-17-10-12-26(24(28)25-19(11-13-32-4)23(27)31-3)22(16-8-6-5-7-9-16)18(17)15-21(20)30-2/h5-9,14-15,19,22H,10-13H2,1-4H3,(H,25,28)/t19-,22?/m0/s1	C24H30N2O5S	458.57	7	1	102.4	3	11	1	-0.243899999999998	3.53169	3.22	4.861	73.5613	127.1137	3.477	428.152721989541
Cond-007040	NPD707	NPD707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.5568967296	CCN(CC)CC(O)COCc1nc2c(n1C)c(=O)n(C)c(=O)n2C	InChI=1S/C16H27N5O4/c1-6-21(7-2)8-11(22)9-25-10-12-17-14-13(18(12)3)15(23)20(5)16(24)19(14)4/h11,22H,6-10H2,1-5H3	C16H27N5O4	353.417	9	1	91.14	2	8	0	-0.342499999999997	0.77518	2.23	-0.679	79.4694	97.1648	2.7076	329.278168352946
Cond-007041	NPD7070	NPD7070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9074032655	CC1C2N(C(CC1=O)c1ccco1)C(=O)[C@@H]1C(C3O[C@]21C=C3)C(=O)Nc1ccc2OCOc2c1	InChI=1S/C25H22N2O7/c1-12-15(28)10-14(16-3-2-8-31-16)27-22(12)25-7-6-18(34-25)20(21(25)24(27)30)23(29)26-13-4-5-17-19(9-13)33-11-32-17/h2-9,12,14,18,20-22H,10-11H2,1H3,(H,26,29)/t12?,14?,18?,20?,21-,22?,25-/m0/s1	C25H22N2O7	462.451	9	1	107.31	7	4	0	-2.0724	3.34826	3.22	0.47	74.9011	122.7177	3.09440000000001	392.45784245493
Cond-007042	NPD7071	NPD7071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.1364348021	CC1C2N(C(CC1=O)c1ccco1)C(=O)[C@@H]1C(C3O[C@]21C=C3)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C28H27N3O5/c1-15-20(32)13-19(21-7-4-12-35-21)31-25(15)28-10-8-22(36-28)23(24(28)27(31)34)26(33)29-11-9-16-14-30-18-6-3-2-5-17(16)18/h2-8,10,12,14-15,19,22-25,30H,9,11,13H2,1H3,(H,29,33)/t15?,19?,22?,23?,24-,25?,28-/m0/s1	C28H27N3O5	485.531	8	2	104.64	7	6	0	-1.9229	2.64347	3.66	1.386	79.893	135.7047	3.45650000000001	424.225644438775
Cond-007043	NPD7072	NPD7072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7555356743	Cc1coc2c1cc1c(oc(=O)c(CC(=O)Nc3ncc(C)cc3)c1C)c2	InChI=1S/C21H18N2O4/c1-11-4-5-19(22-9-11)23-20(24)7-16-13(3)15-6-14-12(2)10-26-17(14)8-18(15)27-21(16)25/h4-6,8-10H,7H2,1-3H3,(H,22,23,24)	C21H18N2O4	362.379	6	1	81.43	4	4	0	1.1574	4.7572	3.11	3.028	44.2862	103.6917	2.6375	320.43614125138
Cond-007044	NPD7073	NPD7073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0069335719	Cc1coc2c1cc1c(C)c(CC(=O)Nc3c(cccc3)C(=O)N)c(=O)oc1c2C	InChI=1S/C23H20N2O5/c1-11-10-29-20-13(3)21-16(8-15(11)20)12(2)17(23(28)30-21)9-19(26)25-18-7-5-4-6-14(18)22(24)27/h4-8,10H,9H2,1-3H3,(H2,24,27)(H,25,26)	C23H20N2O5	404.415	7	3	111.63	4	5	0	0.5226	4.4611	3.22	3.073	51.7277	114.4146	2.935	361.181878502874
Cond-007045	NPD7074	NPD7074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2475956162	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)Nc3c(F)cccc3)c(C)c1c2	InChI=1S/C23H20FNO4/c1-11-14(4)28-21-13(3)22-16(9-15(11)21)12(2)17(23(27)29-22)10-20(26)25-19-8-6-5-7-18(19)24/h5-9H,10H2,1-4H3,(H,25,26)	C23H20FNO4	393.408	5	1	68.54	4	4	0	2.0766	5.51012000000001	3.33	4.38	50.8912	111.9237	2.8372	350.098909145253
Cond-007046	NPD7075	NPD7075	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.212704093	Cc1c(C)c2c(o1)c(C)c1oc(=O)c(CC(=O)Nc3c(cccc3)C(=O)N)c(C)c1c2	InChI=1S/C24H22N2O5/c1-11-14(4)30-21-13(3)22-17(9-16(11)21)12(2)18(24(29)31-22)10-20(27)26-19-8-6-5-7-15(19)23(25)28/h5-9H,10H2,1-4H3,(H2,25,28)(H,26,27)	C24H22N2O5	418.442	7	3	111.63	4	5	0	0.9621	4.46992	3.33	3.57	57.4602	120.4836	3.0759	378.477863128741
Cond-007047	NPD7076	NPD7076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5600536793	CC1CCN(CC1)c1ccc(NC(=O)Cc2c(C)c3cc4c(occ4C)cc3oc2=O)cc1	InChI=1S/C27H28N2O4/c1-16-8-10-29(11-9-16)20-6-4-19(5-7-20)28-26(30)13-23-18(3)22-12-21-17(2)15-32-24(21)14-25(22)33-27(23)31/h4-7,12,14-16H,8-11,13H2,1-3H3,(H,28,30)	C27H28N2O4	444.522	6	1	71.78	5	5	0	0.109199999999999	6.57048000000001	3.77	4.783	65.465	132.8677	3.3743	411.85559030578
Cond-007048	NPD7077	NPD7077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.0849921718	Cc1c(C)c2c(o1)cc1oc(=O)c(CC(=O)Nc3ccc(cc3)S(=O)(=O)N)c(C)c1c2	InChI=1S/C22H20N2O6S/c1-11-13(3)29-19-10-20-17(8-16(11)19)12(2)18(22(26)30-20)9-21(25)24-14-4-6-15(7-5-14)31(23,27)28/h4-8,10H,9H2,1-3H3,(H,24,25)(H2,23,27,28)	C22H20N2O6S	440.469	8	3	137.08	4	5	0	0.0184000000000005	3.9424	2.89	2.393	55.6582	114.2861	3.0593	373.821603335969
Cond-007049	NPD7078	NPD7078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2310445091	CC(C)OCCCNC(=O)COc1cc2c(C(=O)CC(C)(C)O2)c(O)c1	InChI=1S/C19H27NO6/c1-12(2)24-7-5-6-20-17(23)11-25-13-8-14(21)18-15(22)10-19(3,4)26-16(18)9-13/h8-9,12,21H,5-7,10-11H2,1-4H3,(H,20,23)	C19H27NO6	365.421	7	2	94.09	2	9	0	-1.6067	3.55137	2.78	1.167	70.6199	103.6942	2.8055	352.123076098202
Cond-007050	NPD7080	NPD7080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3878326996	COc1ccc(cc1)C1N(CCc2cc(OC)c(OC)cc12)C(=O)N[C@@H](CCSC)C(=O)O	InChI=1S/C24H30N2O6S/c1-30-17-7-5-15(6-8-17)22-18-14-21(32-3)20(31-2)13-16(18)9-11-26(22)24(29)25-19(23(27)28)10-12-33-4/h5-8,13-14,19,22H,9-12H2,1-4H3,(H,25,29)(H,27,28)/t19-,22?/m0/s1	C24H30N2O6S	474.57	8	2	122.63	3	11	1	-0.546699999999998	3.45189	3.11	3.463	76.108	129.2855	3.5357	436.942948690103
Cond-007051	NPD7081	NPD7081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.8543949899	COC(=O)[C@H](CCSC)NC(=O)N1CCc2cc(OC)c(OC)cc2C1c1ccc(OC)cc1	InChI=1S/C25H32N2O6S/c1-30-18-8-6-16(7-9-18)23-19-15-22(32-3)21(31-2)14-17(19)10-12-27(23)25(29)26-20(11-13-34-5)24(28)33-4/h6-9,14-15,20,23H,10-13H2,1-5H3,(H,26,29)/t20-,23?/m0/s1	C25H32N2O6S	488.596	8	1	111.63	3	12	1	-0.295699999999997	3.54029	3.22	3.784	80.8771	133.6657	3.6766	454.238933315969
Cond-007052	NPD7082	NPD7082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5343323641	OC1=Nc2ccccc2N(C1)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C21H21N5O3/c27-19(22-10-9-14-11-23-16-6-2-1-5-15(14)16)12-24-21(29)26-13-20(28)25-17-7-3-4-8-18(17)26/h1-8,11,23H,9-10,12-13H2,(H,22,27)(H,24,29)(H,25,28)	C21H21N5O3	391.423	8	4	109.82	4	8	0	-1.9009	2.59046	2.89	2.578	47.4485	117.4892	2.8782	344.636195175319
Cond-007053	NPD7083	NPD7083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.73853724	COc1c2C(N(C)CCc2cc2c1OCO2)c1c[nH]c2c1ccc(F)c2	InChI=1S/C20H19FN2O3/c1-23-6-5-11-7-16-19(26-10-25-16)20(24-2)17(11)18(23)14-9-22-15-8-12(21)3-4-13(14)15/h3-4,7-9,18,22H,5-6,10H2,1-2H3	C20H19FN2O3	354.375	5	1	46.72	5	2	0	0.0370999999999996	3.49928	3	2.484	40.117	100.801	2.476	295.970406176858
Cond-007054	NPD7084	NPD7084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4153433236	CCOC(=O)c1c(C)c(C(=O)CC2N(C)CCc3cc4c(OCO4)c(OC)c23)c(C)[nH]1	InChI=1S/C23H28N2O6/c1-6-29-23(27)20-12(2)18(13(3)24-20)16(26)10-15-19-14(7-8-25(15)4)9-17-21(22(19)28-5)31-11-30-17/h9,15,24H,6-8,10-11H2,1-5H3	C23H28N2O6	428.478	8	1	90.09	4	7	0	0.671499999999999	3.50303000000001	3.11	2.158	76.6565	119.8055	3.1657	391.417940006636
Cond-007055	NPD7085	NPD7085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1541042272	COc1c2C(n3cncn3)N(C)CCc2cc2c1OCO2	InChI=1S/C14H16N4O3/c1-17-4-3-9-5-10-12(21-8-20-10)13(19-2)11(9)14(17)18-7-15-6-16-18/h5-7,14H,3-4,8H2,1-2H3	C14H16N4O3	288.302	7	0	61.64	4	2	0	0.173600000000001	2.20859	2.23	0.465	38.6221	77.602	2.0071	236.649836090084
Cond-007056	NPD7086	NPD7086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3882800268	COc1c2C(CC(=O)c3ccc(NC(=O)C)cc3)N(C)CCc2cc2c1OCO2	InChI=1S/C22H24N2O5/c1-13(25)23-16-6-4-14(5-7-16)18(26)11-17-20-15(8-9-24(17)2)10-19-21(22(20)27-3)29-12-28-19/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,23,25)	C22H24N2O5	396.436	7	1	77.1	4	6	0	-0.8761	4.73347	3.11	1.971	58.7056	114.9812	2.9231	362.695269979408
Cond-007057	NPD7087	NPD7087	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3088794453	Cc1cc(C)nc(NC(=N)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1	InChI=1S/C18H22N6O/c1-11-6-12(2)21-18(20-11)22-17(19)23-8-13-7-14(10-23)15-4-3-5-16(25)24(15)9-13/h3-6,13-14H,7-10H2,1-2H3,(H2,19,20,21,22)/t13-,14+/m1/s1	C18H22N6O	338.407	7	2	85.21	4	3	0	-0.3582	2.71947	2.67	2.382	74.6036	98.3274	2.5669	315.873924207163
Cond-007058	NPD7088	NPD7088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9521359875	COc1ccc(OCCCN2CCCCC2c2cnccc2)c(CC=C)c1	InChI=1S/C23H30N2O2/c1-3-8-19-17-21(26-2)11-12-23(19)27-16-7-15-25-14-5-4-10-22(25)20-9-6-13-24-18-20/h3,6,9,11-13,17-18,22H,1,4-5,7-8,10,14-16H2,2H3	C23H30N2O2	366.497	4	0	34.59	3	9	0	-0.331600000000003	4.90068000000001	3.55	4.783	55.9156	110.422	3.0395	368.613491905191
Cond-007059	NPD7089	NPD7089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4752851711	O=C(CN1C(=S)S/C(=C\c2ccco2)/C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H19N3O4S2/c25-18-5-1-4-16-14-7-13(10-23(16)18)9-22(11-14)19(26)12-24-20(27)17(30-21(24)29)8-15-3-2-6-28-15/h1-6,8,13-14H,7,9-12H2/b17-8-/t13-,14+/m1/s1	C21H19N3O4S2	441.523	7	0	131.46	5	4	0	-0.4876	2.14496	2.78	0.442	103.3763	117.341	2.9987	380.530949574746
Cond-007060	NPD709	NPD709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.643661495	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OC(C)C(=O)c3ccccc3)ccc12	InChI=1S/C26H22O5/c1-16-23(30-17(2)25(28)19-7-5-4-6-8-19)14-13-21-22(15-24(27)31-26(16)21)18-9-11-20(29-3)12-10-18/h4-15,17H,1-3H3	C26H22O5	414.45	5	0	61.83	4	6	1	0.140899999999999	5.83159	3.77	6.813	44.3196	123.2215	3.1151	388.439853263341
Cond-007061	NPD7090	NPD7090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3276671885	O=N(=O)c1cccc(c1)c1ccc(o1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C22H19N3O5/c26-21-6-2-5-18-16-9-14(12-24(18)21)11-23(13-16)22(27)20-8-7-19(30-20)15-3-1-4-17(10-15)25(28)29/h1-8,10,14,16H,9,11-13H2/t14-,16+/m1/s1	C22H19N3O5	405.403	8	0	96.9	5	4	0	-0.896500000000001	3.14876	3	2.736	64.8895	114.8585	2.8283	356.062654085174
Cond-007062	NPD7092	NPD7092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7933348244	CC(C)Cn1c2nc3c(n2c(C)c1C)c(O)nc(=O)n3C	InChI=1S/C14H19N5O2/c1-7(2)6-18-8(3)9(4)19-10-11(15-13(18)19)17(5)14(21)16-12(10)20/h7H,6H2,1-5H3,(H,16,20,21)	C14H19N5O2	289.333	7	1	73.96	3	2	0	0.322200000000001	2.16006	2.23	2.722	66.6307	85.5878000000001	2.1568	262.11282829849
Cond-007063	NPD7093	NPD7093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1447103556	Cc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C19H12N2O/c1-11-6-7-16-15(10-11)13-8-9-20-17-12-4-2-3-5-14(12)19(22)21(16)18(13)17/h2-10H,1H3	C19H12N2O	284.311	3	0	34.89	5	0	0	0.0072000000000001	3.90321	3.22	4.91	12.9436	89.949	2.071	236.217033197162
Cond-007064	NPD7094	NPD7094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.030418251	Fc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C18H9FN2O/c19-10-5-6-15-14(9-10)12-7-8-20-16-11-3-1-2-4-13(11)18(22)21(15)17(12)16/h1-9H	C18H9FN2O	288.275	3	0	34.89	5	0	0	-0.1551	4.01429	3	4.335	8.314	86.267	1.9478	224.988607421602
Cond-007065	NPD7095	NPD7095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2241109372	Clc1ccc2n3c4c(ccnc4c4c(cccc4)c3=O)c2c1	InChI=1S/C18H9ClN2O/c19-10-5-6-15-14(9-10)12-7-8-20-16-11-3-1-2-4-13(11)18(22)21(15)17(12)16/h1-9H	C18H9ClN2O	304.73	3	0	34.89	5	0	0	0.1095	4.52859	3	4.472	13.0571	91.319	2.0525	234.132116341728
Cond-007066	NPD7096	NPD7096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0834265265	CC1(C)CCc2c3oc(=O)c4c(CCCC4)c3c(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2O1	InChI=1S/C31H34N2O6/c1-31(2)11-10-22-24(39-31)13-25(28-20-6-3-4-7-21(20)30(36)38-29(22)28)37-17-27(35)32-14-18-12-19(16-32)23-8-5-9-26(34)33(23)15-18/h5,8-9,13,18-19H,3-4,6-7,10-12,14-17H2,1-2H3/t18-,19+/m1/s1	C31H34N2O6	530.611	8	0	85.38	7	4	0	-1.4661	5.08134000000001	3.99	2.749	119.9899	148.864	3.8811	498.34352350957
Cond-007067	NPD7097	NPD7097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9203757549	OC1=Nc2ccccc2N(C1)C(=O)NCCCC(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C23H25N5O3/c29-21(24-13-11-16-14-26-18-7-2-1-6-17(16)18)10-5-12-25-23(31)28-15-22(30)27-19-8-3-4-9-20(19)28/h1-4,6-9,14,26H,5,10-13,15H2,(H,24,29)(H,25,31)(H,27,30)	C23H25N5O3	419.476	8	4	109.82	4	10	0	-1.9407	3.37066	3.11	3.094	55.0595	126.7232	3.16	379.228164427052
Cond-007068	NPD7098	NPD7098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.0939387162	COc1c2[nH]c(cc2c(OC)cc1)C(=O)N[C@@H](CCCNC(=O)N)C(=O)O	InChI=1S/C17H22N4O6/c1-26-12-5-6-13(27-2)14-9(12)8-11(20-14)15(22)21-10(16(23)24)4-3-7-19-17(18)25/h5-6,8,10,20H,3-4,7H2,1-2H3,(H,21,22)(H,23,24)(H3,18,19,25)/t10-/m0/s1	C17H22N4O6	378.38	10	6	155.77	2	11	1	-2.7478	1.06938	2.23	-0.411	56.3932	102.8491	2.7371	334.348470069368
Cond-007069	NPD7099	NPD7099	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.3947662715	COc1cc2ccc(/C=C/C(=O)c3ccc(O)cc3)nc2cc1	InChI=1S/C19H15NO3/c1-23-17-9-10-18-14(12-17)2-5-15(20-18)6-11-19(22)13-3-7-16(21)8-4-13/h2-12,21H,1H3/b11-6+	C19H15NO3	305.327	4	1	59.42	3	4	0	-0.4148	4.03597	3.11	4.015	25.4699	92.7668	2.3058	278.413643791718
Cond-007070	NPD710	NPD710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5026360734	Cc1c2c(coc2c2c(oc(=O)c3c2CCCC3)c1)c1ccc(Cl)cc1	InChI=1S/C22H17ClO3/c1-12-10-18-20(15-4-2-3-5-16(15)22(24)26-18)21-19(12)17(11-25-21)13-6-8-14(23)9-7-13/h6-11H,2-5H2,1H3	C22H17ClO3	364.822	3	0	39.44	5	1	1	0.7665	6.62819	3.44	5.348	42.4609	106.449	2.5769	312.439446530785
Cond-007071	NPD7100	NPD7100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0845448446	Cc1c(CCC(=O)NCC2(CC(=O)O)CCCCC2)c(=O)oc2cc(O)ccc12	InChI=1S/C22H27NO6/c1-14-16-6-5-15(24)11-18(16)29-21(28)17(14)7-8-19(25)23-13-22(12-20(26)27)9-3-2-4-10-22/h5-6,11,24H,2-4,7-10,12-13H2,1H3,(H,23,25)(H,26,27)	C22H27NO6	401.453	7	3	112.93	3	8	0	-1.6728	4.14098000000001	3.11	2.892	76.6597	111.6543	3.0336	386.381653873402
Cond-007072	NPD7101	NPD7101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.5571460523	CSCC[C@@H](CO)NC(=O)Cc1c(C)c2cc(Cl)c(OCC(=C)C)cc2oc1=O	InChI=1S/C21H26ClNO5S/c1-12(2)11-27-19-9-18-15(7-17(19)22)13(3)16(21(26)28-18)8-20(25)23-14(10-24)5-6-29-4/h7,9,14,24H,1,5-6,8,10-11H2,2-4H3,(H,23,25)/t14-/m0/s1	C21H26ClNO5S	439.953	6	2	110.16	2	11	1	1.7006	4.08586	2.89	2.569	89.8277	120.5945	3.2285	406.371993075808
Cond-007073	NPD7102	NPD7102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.7251174234	CC12CC(CC(C)(C)C1)N(C2)C(=O)Cc1c[nH]c2c1cccc2	InChI=1S/C20H26N2O/c1-19(2)9-15-10-20(3,12-19)13-22(15)18(23)8-14-11-21-17-7-5-4-6-16(14)17/h4-7,11,15,21H,8-10,12-13H2,1-3H3	C20H26N2O	310.433	3	1	36.1	4	3	0	0.708200000000001	4.29478000000001	3.33	4.401	59.4799	97.959	2.5355	300.851770027829
Cond-007074	NPD7104	NPD7104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.1066875419	Cc1nc2c(cccc2)c(=O)n1CCc1c[nH]c2c1cc(Cl)cc2	InChI=1S/C19H16ClN3O/c1-12-22-18-5-3-2-4-15(18)19(24)23(12)9-8-13-11-21-17-7-6-14(20)10-16(13)17/h2-7,10-11,21H,8-9H2,1H3	C19H16ClN3O	337.803	4	1	48.46	4	3	0	0.000899999999999901	4.35907	3	4.131	37.1441	102.57	2.4448	288.317778577362
Cond-007075	NPD7105	NPD7105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1558935361	OCc1cc(=O)c(O)c(CN2CCC[C@@H]2C(=O)O)o1	InChI=1S/C12H15NO6/c14-6-7-4-9(15)11(16)10(19-7)5-13-3-1-2-8(13)12(17)18/h4,8,14,16H,1-3,5-6H2,(H,17,18)/t8-/m1/s1	C12H15NO6	269.251	7	3	107.3	2	4	0	-2.4309	-0.13323	2.01	-0.378	63.7526	65.8494	1.8622	244.587642417934
Cond-007076	NPD7106	NPD7106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6566763588	CN(CC(=O)O)Cc1c(O)c(=O)cc(CO)o1	InChI=1S/C10H13NO6/c1-11(4-9(14)15)3-8-10(16)7(13)2-6(5-12)17-8/h2,12,16H,3-5H2,1H3,(H,14,15)	C10H13NO6	243.213	7	3	107.3	1	5	0	-1.8089	-0.66583	1.79	-0.987	60.1531	58.7514	1.689	222.352131867
Cond-007077	NPD7107	NPD7107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.3082084545	CC(C)[C@H](NCc1c(O)c(=O)cc(CO)o1)C(=O)O	InChI=1S/C12H17NO6/c1-6(2)10(12(17)18)13-4-9-11(16)8(15)3-7(5-14)19-9/h3,6,10,13-14,16H,4-5H2,1-2H3,(H,17,18)/t10-/m0/s1	C12H17NO6	271.266	7	4	116.09	1	6	0	-1.7272	0.0165699999999999	2.01	0.384	67.887	67.8831	1.9708	256.944101118734
Cond-007078	NPD7108	NPD7108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8980093939	CSCC[C@H](NCc1c(O)c(=O)cc(CO)o1)C(=O)O	InChI=1S/C12H17NO6S/c1-20-3-2-8(12(17)18)13-5-10-11(16)9(15)4-7(6-14)19-10/h4,8,13-14,16H,2-3,5-6H2,1H3,(H,17,18)/t8-/m0/s1	C12H17NO6S	303.331	7	4	141.39	1	8	0	-1.8836	0.11367	1.9	0.7	74.7332	76.0441	2.1343	275.453125176334
Cond-007079	NPD7109	NPD7109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8121225677	Cc1coc2c3c(oc(=O)c(CC(=O)Nc4ccccc4Cl)c3C)cc(C)c12	InChI=1S/C22H18ClNO4/c1-11-8-17-20(21-19(11)12(2)10-27-21)13(3)14(22(26)28-17)9-18(25)24-16-7-5-4-6-15(16)23/h4-8,10H,9H2,1-3H3,(H,24,25)	C22H18ClNO4	395.836	5	1	68.54	4	4	0	1.9017	6.0156	3.22	4.231	49.9018	110.9067	2.801	341.946433439513
Cond-007080	NPD711	NPD711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.0035258479	COc1ccc(C2NC(Cc3c2[nH]c2c3cccc2)C(=O)O)c(OC)c1	InChI=1S/C20H20N2O4/c1-25-11-7-8-13(17(9-11)26-2)18-19-14(10-16(22-18)20(23)24)12-5-3-4-6-15(12)21-19/h3-9,16,18,21-22H,10H2,1-2H3,(H,23,24)	C20H20N2O4	352.384	6	3	83.58	4	4	0	-1.3293	3.22828	3	2.884	40.037	103.2895	2.5826	308.413074027113
Cond-007081	NPD7110	NPD7110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.5886826213	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)Nc1nccs1	InChI=1S/C20H14N2O4S/c23-18(22-20-21-8-9-27-20)12-25-14-6-7-15-16(13-4-2-1-3-5-13)11-19(24)26-17(15)10-14/h1-11H,12H2,(H,21,22,23)	C20H14N2O4S	378.401	6	1	105.76	4	6	1	-0.3257	4.66336	2.89	5.212	36.7312	106.3217	2.6171	319.012721982312
Cond-007082	NPD7111	NPD7111	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.5942742116	COc1ccc2c(oc(=O)c(CCC(=O)Nc3ncccn3)c2C)c1	InChI=1S/C18H17N3O4/c1-11-13-5-4-12(24-2)10-15(13)25-17(23)14(11)6-7-16(22)21-18-19-8-3-9-20-18/h3-5,8-10H,6-7H2,1-2H3,(H,19,20,21,22)	C18H17N3O4	339.345	7	1	90.41	3	6	0	0.0380999999999998	3.74866	2.67	1.954	43.8441	95.6037	2.4662	305.437864983546
Cond-007083	NPD7112	NPD7112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2905390293	COC(=O)[C@H](CCSC)NC(=O)N1CCc2cc(OC)c(OC)cc2C1	InChI=1S/C18H26N2O5S/c1-23-15-9-12-5-7-20(11-13(12)10-16(15)24-2)18(22)19-14(6-8-26-4)17(21)25-3/h9-10,14H,5-8,11H2,1-4H3,(H,19,22)/t14-/m0/s1	C18H26N2O5S	382.474	7	1	102.4	2	10	0	-0.181900000000001	1.96059	2.56	1.916	74.8756	103.4817	2.8692	355.542649037541
Cond-007084	NPD7113	NPD7113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8561842988	OC1=Nc2ccccc2N(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C28H27N5O3/c34-26-18-33(25-13-7-6-12-23(25)31-26)28(36)32-24(16-19-8-2-1-3-9-19)27(35)29-15-14-20-17-30-22-11-5-4-10-21(20)22/h1-13,17,24,30H,14-16,18H2,(H,29,35)(H,31,34)(H,32,36)/t24-/m0/s1	C28H27N5O3	481.546	8	4	109.82	5	10	1	-1.7938	4.20176000000001	3.66	6.369	51.0747	146.5562	3.62690000000001	434.542252753186
Cond-007085	NPD7114	NPD7114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7931111608	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)NCC(O)CO)c2C)c1	InChI=1S/C20H25NO6/c1-12(2)11-26-15-4-5-16-13(3)17(20(25)27-18(16)8-15)6-7-19(24)21-9-14(23)10-22/h4-5,8,14,22-23H,1,6-7,9-11H2,2-3H3,(H,21,24)	C20H25NO6	375.416	7	3	105.09	2	10	0	0.1535	2.06176	2.89	0.539	75.2403	104.2883	2.8604	364.146143322469
Cond-007086	NPD7116	NPD7116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9387161709	OCCCNC(=O)C1CCCN(C1)c1c2nc[nH]c2ncn1	InChI=1S/C14H20N6O2/c21-6-2-4-15-14(22)10-3-1-5-20(7-10)13-11-12(17-8-16-11)18-9-19-13/h8-10,21H,1-7H2,(H,15,22)(H,16,17,18,19)	C14H20N6O2	304.348	8	3	107.03	3	6	0	-1.921	0.752170000000001	2.12	-0.680000000000001	48.9495	86.4735	2.2566	262.209588506657
Cond-007087	NPD7117	NPD7117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	85.3053008276	O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]cc2)cc1	InChI=1S/C19H17N3O/c23-19(14-5-6-17-13(11-14)7-9-20-17)21-10-8-15-12-22-18-4-2-1-3-16(15)18/h1-7,9,11-12,20,22H,8,10H2,(H,21,23)	C19H17N3O	303.358	4	3	60.68	4	5	0	-1.2084	3.03148	3.11	3.553	23.2055	97.5617	2.3224	262.206710806929
Cond-007088	NPD7118	NPD7118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4441959293	COc1cc2c(cc1OC)c1cc(c/c(=C/3\C(=O)OC(=CC3=O)C)/n1CC2)c1ccc2OCOc2c1	InChI=1S/C28H23NO7/c1-15-8-22(30)27(28(31)36-15)21-10-18(16-4-5-23-26(11-16)35-14-34-23)9-20-19-13-25(33-3)24(32-2)12-17(19)6-7-29(20)21/h4-5,8-13H,6-7,14H2,1-3H3/b27-21+	C28H23NO7	485.485	8	0	83.53	6	3	0	-0.00840000000000016	4.23414000000001	3.66	3.871	88.2781	132.997	3.3969	437.796118722763
Cond-007089	NPD7119	NPD7119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5560277343	Cc1nc2c(cccc2)c(=O)n1CCc1cnc[nH]1	InChI=1S/C14H14N4O/c1-10-17-13-5-3-2-4-12(13)14(19)18(10)7-6-11-8-15-9-16-11/h2-5,8-9H,6-7H2,1H3,(H,15,16)	C14H14N4O	254.287	5	1	61.35	3	3	0	-1.287	1.54228	2.45	2.072	29.9883	76.808	1.9123	226.152923988162
Cond-007090	NPD712	NPD712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4240225153	COCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)/C(=C1C)C(=O)OC	InChI=1S/C19H23NO6/c1-12-17(19(23)26-4)14(18(22)20(12)8-5-9-24-2)10-13-6-7-15(21)16(11-13)25-3/h6-7,10-11,21H,5,8-9H2,1-4H3/b14-10-	C19H23NO6	361.389	7	1	85.3	2	8	0	-0.915199999999999	2.08727	2.78	1.467	72.2193	97.4688	2.7195	346.850158696602
Cond-007091	NPD7120	NPD7120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5736971595	COc1c(OC)c2c(cc1)C(OC2=O)c1c(O)cc(C)n(Cc2ccco2)c1=O	InChI=1S/C21H19NO7/c1-11-9-14(23)17(20(24)22(11)10-12-5-4-8-28-12)18-13-6-7-15(26-2)19(27-3)16(13)21(25)29-18/h4-9,18,23H,10H2,1-3H3	C21H19NO7	397.378	8	1	98.44	4	5	0	-0.8528	2.44228	2.89	2.311	64.1768	104.0148	2.7568	349.346519845696
Cond-007092	NPD7121	NPD7121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5224781928	COc1c(OC)cc2C(N(CCc2c1)C(=O)N[C@@H](C)C(=O)NCc1cnccc1)c1ccccc1	InChI=1S/C27H30N4O4/c1-18(26(32)29-17-19-8-7-12-28-16-19)30-27(33)31-13-11-21-14-23(34-2)24(35-3)15-22(21)25(31)20-9-5-4-6-10-20/h4-10,12,14-16,18,25H,11,13,17H2,1-3H3,(H,29,32)(H,30,33)/t18-,25?/m0/s1	C27H30N4O4	474.551	8	2	92.79	4	10	0	-1.2435	2.36149	3.55	4.238	58.5113	132.7114	3.6395	443.569110722114
Cond-007093	NPD7122	NPD7122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4359203758	CSCCC(NC(=O)N1CC(=Nc2ccccc12)O)C(=O)NCc1cnccc1	InChI=1S/C20H23N5O3S/c1-29-10-8-16(19(27)22-12-14-5-4-9-21-11-14)24-20(28)25-13-18(26)23-15-6-2-3-7-17(15)25/h2-7,9,11,16H,8,10,12-13H2,1H3,(H,22,27)(H,23,26)(H,24,28)	C20H23N5O3S	413.493	8	3	132.22	3	10	0	-1.2749	2.32057	2.67	2.667	59.5715	118.2512	3.0524	371.742152008652
Cond-007094	NPD7123	NPD7123	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5524491165	CC1C2N(C(CC1=O)c1ccco1)C(=O)C1C(C3O[C@]21C=C3)C(=O)Nc1nccs1	InChI=1S/C21H19N3O5S/c1-10-12(25)9-11(13-3-2-7-28-13)24-17(10)21-5-4-14(29-21)15(16(21)19(24)27)18(26)23-20-22-6-8-30-20/h2-8,10-11,14-17H,9H2,1H3,(H,22,23,26)/t10?,11?,14?,15?,16?,17?,21-/m0/s1	C21H19N3O5S	425.458	8	1	129.98	6	4	0	-1.1791	2.57527	2.78	-0.142	75.2225	110.2057	2.8283	350.192152217708
Cond-007095	NPD7124	NPD7124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9427421159	O=C(Nc1nccs1)C1C2OC3(CN(CCc4c[nH]c5c4cccc5)C(=O)C13)C=C2	InChI=1S/C22H20N4O3S/c27-19(25-21-23-8-10-30-21)17-16-5-7-22(29-16)12-26(20(28)18(17)22)9-6-13-11-24-15-4-2-1-3-14(13)15/h1-5,7-8,10-11,16-18,24H,6,9,12H2,(H,23,25,27)	C22H20N4O3S	420.484	7	2	115.56	6	6	0	-1.1316	3.27106	3	1.471	64.7345	117.7397	2.9086	347.367984949819
Cond-007096	NPD7125	NPD7125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.121002013	COc1ccc2[nH]cc(CCNC(=O)C(C)C)c2c1	InChI=1S/C15H20N2O2/c1-10(2)15(18)16-7-6-11-9-17-14-5-4-12(19-3)8-13(11)14/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)	C15H20N2O2	260.331	4	2	54.12	2	6	0	-0.1055	2.64838	2.67	1.888	42.3079	81.1187	2.1069	247.874991000656
Cond-007097	NPD7126	NPD7126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2198613286	COc1c(OC)cc(CN(CCO)C(=O)COc2ccc3ccc(=O)oc3c2)cc1	InChI=1S/C22H23NO7/c1-27-18-7-3-15(11-20(18)28-2)13-23(9-10-24)21(25)14-29-17-6-4-16-5-8-22(26)30-19(16)12-17/h3-8,11-12,24H,9-10,13-14H2,1-2H3	C22H23NO7	413.421	8	1	94.53	3	10	0	-1.2498	2.24837	3	2.043	61.4906	112.1408	3.0063	378.998963172363
Cond-007098	NPD7128	NPD7128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.1500782823	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCCc3cnc[nH]3)c1C)c2	InChI=1S/C21H21N3O4/c1-12-10-27-18-8-19-17(7-16(12)18)13(2)15(21(26)28-19)3-4-20(25)23-6-5-14-9-22-11-24-14/h7-11H,3-6H2,1-2H3,(H,22,24)(H,23,25)	C21H21N3O4	379.409	7	2	97.22	4	7	0	-0.119	3.08559	3	1.762	54.5733	107.2927	2.7803	334.069360160346
Cond-007099	NPD7129	NPD7129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7468127936	CCn1cc(C(=O)NC(CCSC)C(=O)NCCc2cnc[nH]2)c(=O)c2c1cc1OCOc1c2	InChI=1S/C23H27N5O5S/c1-3-28-11-16(21(29)15-8-19-20(9-18(15)28)33-13-32-19)22(30)27-17(5-7-34-2)23(31)25-6-4-14-10-24-12-26-14/h8-12,17H,3-7,13H2,1-2H3,(H,24,26)(H,25,31)(H,27,30)	C23H27N5O5S	485.556	10	3	150.95	4	12	1	-2.1564	2.34776	2.78	2.517	84.2904	134.1199	3.4839	428.854100586575
Cond-007100	NPD713	NPD713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.809724035	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCc3cc(OC)ccc3)ccc12	InChI=1S/C25H22O5/c1-16-23(29-15-17-5-4-6-20(13-17)28-3)12-11-21-22(14-24(26)30-25(16)21)18-7-9-19(27-2)10-8-18/h4-14H,15H2,1-3H3	C25H22O5	402.439	5	0	53.99	4	6	1	0.470299999999999	5.42949	3.66	5.725	41.7801	118.929	3.0172	373.780327338274
Cond-007101	NPD7130	NPD7130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.8512636994	COc1c2c(C)c(CCC(=O)NCc3ccco3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C24H27NO6/c1-14-16(7-8-20(26)25-13-15-6-5-11-29-15)23(27)30-22-17-9-10-24(2,3)31-18(17)12-19(28-4)21(14)22/h5-6,11-12H,7-10,13H2,1-4H3,(H,25,26)	C24H27NO6	425.474	7	1	87	4	7	0	0.653599999999999	4.87496000000001	3.33	2.964	74.8797	122.0157	3.1638	395.080705723536
Cond-007102	NPD7131	NPD7131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7302616864	Cc1c(CC(=O)NC2CS(=O)(=O)CC2O)c(=O)oc2cc3c(CCC(C)(C)O3)cc12	InChI=1S/C21H25NO7S/c1-11-13-6-12-4-5-21(2,3)29-17(12)8-18(13)28-20(25)14(11)7-19(24)22-15-9-30(26,27)10-16(15)23/h6,8,15-16,23H,4-5,7,9-10H2,1-3H3,(H,22,24)	C21H25NO7S	435.491	8	2	127.38	4	4	0	-0.177600000000001	3.28046	2.78	1.691	83.7936	115.2545	3.0493	386.664920005696
Cond-007103	NPD7132	NPD7132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.8385148736	COc1c2c(C)c(CCC(=O)NC(CO)CCSC)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C24H33NO6S/c1-14-16(6-7-20(27)25-15(13-26)9-11-32-5)23(28)30-22-17-8-10-24(2,3)31-18(17)12-19(29-4)21(14)22/h12,15,26H,6-11,13H2,1-5H3,(H,25,27)	C24H33NO6S	463.587	7	2	119.39	3	10	0	0.713500000000003	4.55446000000001	3.22	2.804	100.3371	131.8035	3.5219	442.119105883536
Cond-007104	NPD7133	NPD7133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4907179602	COc1ccc2c(oc(=O)c(CCC(=O)N3CCCC(C3)C(=O)O)c2C)c1	InChI=1S/C20H23NO6/c1-12-15-6-5-14(26-2)10-17(15)27-20(25)16(12)7-8-18(22)21-9-3-4-13(11-21)19(23)24/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,23,24)	C20H23NO6	373.4	7	1	93.14	3	6	0	-0.355599999999998	3.04307	2.89	1.512	71.4728	101.6388	2.7518	351.789684621669
Cond-007105	NPD7134	NPD7134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3323641244	COc1ccc2c(C)c(CC(=O)N3CCCC(C3)C(=O)O)c(=O)oc2c1OC	InChI=1S/C20H23NO7/c1-11-13-6-7-15(26-2)18(27-3)17(13)28-20(25)14(11)9-16(22)21-8-4-5-12(10-21)19(23)24/h6-7,12H,4-5,8-10H2,1-3H3,(H,23,24)	C20H23NO7	389.399	8	1	102.37	3	6	0	-0.469799999999998	2.66157	2.78	0.899	73.9232	103.5738	2.8105	360.57991132223
Cond-007106	NPD7135	NPD7135	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7973607694	O=C(NCCc1c[nH]cn1)C1CCCN(C1)c1c2[nH]cnc2ncn1	InChI=1S/C16H20N8O/c25-16(18-4-3-12-6-17-8-19-12)11-2-1-5-24(7-11)15-13-14(21-9-20-13)22-10-23-15/h6,8-11H,1-5,7H2,(H,17,19)(H,18,25)(H,20,21,22,23)	C16H20N8O	340.383	9	3	115.48	4	6	0	-1.8927	0.853670000000003	2.23	-0.216	44.9727	97.4947	2.4847	281.475475371763
Cond-007107	NPD7136	NPD7136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9116528741	COc1cc(cc(OC)c1OC)C(=O)Nc1ncc2C(=O)CCCc2n1	InChI=1S/C18H19N3O5/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(23)21-18-19-9-11-12(20-18)5-4-6-13(11)22/h7-9H,4-6H2,1-3H3,(H,19,20,21,23)	C18H19N3O5	357.361	8	1	99.64	3	6	0	-1.0516	2.84218	2.56	0.903	46.6475	96.6162	2.5679	316.864550384907
Cond-007108	NPD7137	NPD7137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7143815701	COc1cc(NC(=O)C(=O)NCCc2c[nH]c3c2cccc3)cc(OC)c1OC	InChI=1S/C21H23N3O5/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-21(26)20(25)22-9-8-13-12-23-16-7-5-4-6-15(13)16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,25)(H,24,26)	C21H23N3O5	397.424	8	3	101.68	3	10	0	-1.5782	3.24837	2.89	2.179	49.2944	114.6994	2.9476	355.216045561708
Cond-007109	NPD7138	NPD7138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.8013867144	COc1cc2c(cc1OC)C(=O)C(C2)C1N(C)CCc2cc3c(OCO3)c(OC)c12	InChI=1S/C23H25NO6/c1-24-6-5-12-8-18-22(30-11-29-18)23(28-4)19(12)20(24)15-7-13-9-16(26-2)17(27-3)10-14(13)21(15)25/h8-10,15,20H,5-7,11H2,1-4H3	C23H25NO6	411.448	7	0	66.46	5	4	0	-0.213100000000002	3.70888	3.22	1.544	64.2983	115.894	2.9573	368.064721097669
Cond-007110	NPD714	NPD714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.55613851	COc1ccc(cc1CN1CCOCC1)C1CC(=O)c2c(O1)cccc2	InChI=1S/C21H23NO4/c1-24-19-7-6-15(12-16(19)14-22-8-10-25-11-9-22)21-13-18(23)17-4-2-3-5-20(17)26-21/h2-7,12,21H,8-11,13-14H2,1H3	C21H23NO4	353.412	5	0	48	4	4	0	-0.5682	3.07719	3.22	2.695	50.3061	101.663	2.6667	328.248757145613
Cond-007111	NPD7140	NPD7140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.6088123462	O=N(=O)c1ccc(N2CCCCC2c2cccnc2)c(C=O)c1	InChI=1S/C17H17N3O3/c21-12-14-10-15(20(22)23)6-7-17(14)19-9-2-1-5-16(19)13-4-3-8-18-11-13/h3-4,6-8,10-12,16H,1-2,5,9H2	C17H17N3O3	311.335	6	0	76.34	3	4	0	-0.421900000000001	3.02019	2.67	3.713	29.9268	90.7760000000001	2.3096	281.988112357918
Cond-007112	NPD7141	NPD7141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0829791993	CC(n1c(O)nc2nc3c(ccc(N)c3)nc2c1=O)c1ccccc1	InChI=1S/C18H15N5O2/c1-10(11-5-3-2-4-6-11)23-17(24)15-16(22-18(23)25)21-14-9-12(19)7-8-13(14)20-15/h2-10H,19H2,1H3,(H,21,22,25)	C18H15N5O2	333.344	7	3	104.7	4	2	0	-0.947	2.90467	2.67	3.511	29.4377	98.8002	2.3968	283.958014597157
Cond-007113	NPD7142	NPD7142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.73853724	Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N=c3[nH]c4c([nH]3)cccc4)c12	InChI=1S/C24H23N3O5/c1-13-10-20(29)31-22-14-8-9-24(2,3)32-17(14)11-18(21(13)22)30-12-19(28)27-23-25-15-6-4-5-7-16(15)26-23/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,26,27,28)	C24H23N3O5	433.457	8	2	98.25	5	4	1	-0.120700000000001	5.46204	3.22	5.121	67.6438	127.7414	3.1101	390.654623336908
Cond-007114	NPD7143	NPD7143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.04585104	COc1c(OC)cc2C(N(CCc2c1)C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)c1ccccc1	InChI=1S/C27H35N3O4S/c1-33-23-17-20-11-15-30(25(19-9-5-4-6-10-19)21(20)18-24(23)34-2)27(32)28-22(12-16-35-3)26(31)29-13-7-8-14-29/h4-6,9-10,17-18,22,25H,7-8,11-16H2,1-3H3,(H,28,32)/t22-,25?/m0/s1	C27H35N3O4S	497.649	7	1	96.41	4	11	1	-1.4427	3.34519	3.55	4.978	84.262	140.5227	3.8322	469.890750673947
Cond-007115	NPD7144	NPD7144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.862894207	COc1c(OC)cc2CN(CCc2c1)C(=O)N[C@@H](C)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C23H27N3O6/c1-14(22(27)24-11-15-4-5-18-21(8-15)32-13-31-18)25-23(28)26-7-6-16-9-19(29-2)20(30-3)10-17(16)12-26/h4-5,8-10,14H,6-7,11-13H2,1-3H3,(H,24,27)(H,25,28)/t14-/m0/s1	C23H27N3O6	441.477	9	2	98.36	4	9	0	-1.4842	1.62488	3	1.728	67.2977	119.4684	3.2225	399.778241514002
Cond-007116	NPD7145	NPD7145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1594721539	COc1c(OC)cc2CN(CCc2c1)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1	InChI=1S/C20H26N4O4S/c1-12(2)17(18(25)23-19-21-6-8-29-19)22-20(26)24-7-5-13-9-15(27-3)16(28-4)10-14(13)11-24/h6,8-10,12,17H,5,7,11H2,1-4H3,(H,22,26)(H,21,23,25)/t17-/m0/s1	C20H26N4O4S	418.51	8	2	121.03	3	9	0	-0.0808999999999982	2.74988	2.67	1.828	71.276	113.9024	3.0973	374.808535902647
Cond-007117	NPD7146	NPD7146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.075374637	COc1ccc2c(oc(=O)c(CCC(=O)NCC(O)CO)c2C)c1	InChI=1S/C17H21NO6/c1-10-13-4-3-12(23-2)7-15(13)24-17(22)14(10)5-6-16(21)18-8-11(20)9-19/h3-4,7,11,19-20H,5-6,8-9H2,1-2H3,(H,18,21)	C17H21NO6	335.352	7	3	105.09	2	8	0	-0.909700000000002	1.18927	2.56	0.073	61.7956	90.8013000000001	2.4807	314.894648145668
Cond-007118	NPD7147	NPD7147	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.837620219	CCn1cc(C(=O)NCCC(=O)Nc2ccc3oc(=O)ccc3c2)c(=O)c2c1cc1OCOc1c2	InChI=1S/C25H21N3O7/c1-2-28-12-17(24(31)16-10-20-21(11-18(16)28)34-13-33-20)25(32)26-8-7-22(29)27-15-4-5-19-14(9-15)3-6-23(30)35-19/h3-6,9-12H,2,7-8,13H2,1H3,(H,26,32)(H,27,29)	C25H21N3O7	475.45	10	2	123.27	5	8	0	-1.4026	3.90504	3.11	3.096	74.7264	131.8229	3.2824	420.258143962297
Cond-007119	NPD7148	NPD7148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.268396332	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)N3CCCC(C3)C(=O)O)c2C)c1	InChI=1S/C23H27NO6/c1-14(2)13-29-17-6-7-18-15(3)19(23(28)30-20(18)11-17)8-9-21(25)24-10-4-5-16(12-24)22(26)27/h6-7,11,16H,1,4-5,8-10,12-13H2,2-3H3,(H,26,27)	C23H27NO6	413.464	7	1	93.14	3	8	0	0.707600000000002	3.91556000000001	3.22	1.978	84.9175	115.1258	3.1315	401.041179798469
Cond-007120	NPD7149	NPD7149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6962648177	CN(C)CCNC(=O)CCc1c(C)c2ccc(OCC(=C)C)cc2oc1=O	InChI=1S/C21H28N2O4/c1-14(2)13-26-16-6-7-17-15(3)18(21(25)27-19(17)12-16)8-9-20(24)22-10-11-23(4)5/h6-7,12H,1,8-11,13H2,2-5H3,(H,22,24)	C21H28N2O4	372.458	6	1	67.87	2	10	0	1.3423	3.27016	3.11	1.773	81.0046	109.7497	2.9837	374.85843475538
Cond-007121	NPD7150	NPD7150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.146052337	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)Nc3c4cccnc4ccc3)c2C)c1	InChI=1S/C26H24N2O4/c1-16(2)15-31-18-9-10-19-17(3)20(26(30)32-24(19)14-18)11-12-25(29)28-23-8-4-7-22-21(23)6-5-13-27-22/h4-10,13-14H,1,11-12,15H2,2-3H3,(H,28,29)	C26H24N2O4	428.48	6	1	77.52	4	8	0	1.1013	6.37935	3.66	4.273	57.2888	128.8017	3.256	401.643146979113
Cond-007122	NPD7152	NPD7152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1766689499	CN1CCN(CC1)C1(CNC(=O)Cc2c(C)c3ccc(OCC(=C)C)c(C)c3oc2=O)CCCCC1	InChI=1S/C29H41N3O4/c1-20(2)18-35-25-10-9-23-21(3)24(28(34)36-27(23)22(25)4)17-26(33)30-19-29(11-7-6-8-12-29)32-15-13-31(5)14-16-32/h9-10H,1,6-8,11-19H2,2-5H3,(H,30,33)	C29H41N3O4	495.654	7	1	71.11	4	9	0	1.2299	4.85228000000001	3.88	3.181	112.9206	147.4317	3.9935	499.510154568881
Cond-007123	NPD7153	NPD7153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.4551346225	COc1ccc2c(oc(=O)c(CCC(=O)Nc3ccc4[nH]ccc4c3)c2C)c1	InChI=1S/C22H20N2O4/c1-13-17-5-4-16(27-2)12-20(17)28-22(26)18(13)6-8-21(25)24-15-3-7-19-14(11-15)9-10-23-19/h3-5,7,9-12,23H,6,8H2,1-2H3,(H,24,25)	C22H20N2O4	376.405	6	2	80.42	4	6	0	-0.3823	4.95806	3.22	3.229	47.1441	112.3027	2.7784	337.732125877246
Cond-007124	NPD7154	NPD7154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9625902313	O=C(N1C[C@@H]2C[C@@H](C1)n1c(=O)cccc1C2)c1cc2c(onc2cc1)c1ccccc1	InChI=1S/C25H21N3O3/c29-23-8-4-7-19-11-16-12-20(28(19)23)15-27(14-16)25(30)18-9-10-22-21(13-18)24(31-26-22)17-5-2-1-3-6-17/h1-10,13,16,20H,11-12,14-15H2/t16-,20-/m0/s1	C25H21N3O3	411.453	6	0	66.65	6	3	0	-1.0569	4.07226000000001	3.55	4.233	61.3342	121.6795	2.982	364.477237160052
Cond-007125	NPD7155	NPD7155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	85.1362031719	CC12CC(CC(C)(C)C1)N(C2)c1ncnc2c1[nH]cn2	InChI=1S/C15H21N5/c1-14(2)4-10-5-15(3,6-14)7-20(10)13-11-12(17-8-16-11)18-9-19-13/h8-10H,4-7H2,1-3H3,(H,16,17,18,19)	C15H21N5	271.361	5	1	57.7	4	1	0	1.3214	3.08638	2.56	2.755	50.3872	81.071	2.1147	241.208359523234
Cond-007126	NPD7156	NPD7156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.0985299542	CCCCCC(C)NC(=O)c1ccc2[nH]ccc2c1	InChI=1S/C16H22N2O/c1-3-4-5-6-12(2)18-16(19)14-7-8-15-13(11-14)9-10-17-15/h7-12,17H,3-6H2,1-2H3,(H,18,19)	C16H22N2O	258.359	3	2	44.89	2	7	0	-2.155	3.35299	2.89	4.214	37.5832	82.8227	2.1891	256.380748925962
Cond-007127	NPD7157	NPD7157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.3742557564	Cc1c2oc(=O)c3c(CCC3)c2cc2c1OC(C)(C)C=C2	InChI=1S/C18H18O3/c1-10-15-11(7-8-18(2,3)21-15)9-14-12-5-4-6-13(12)17(19)20-16(10)14/h7-9H,4-6H2,1-3H3	C18H18O3	282.334	3	0	35.53	4	0	0	1.3721	4.68008	3.11	3.306	58.0203	85.736	2.1285	270.110275060084
Cond-007128	NPD7158	NPD7158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3536540387	Cc1c2oc(=O)c3c(CCCC3)c2cc2c1OC(C)(C)C=C2	InChI=1S/C19H20O3/c1-11-16-12(8-9-19(2,3)22-16)10-15-13-6-4-5-7-14(13)18(20)21-17(11)15/h8-10H,4-7H2,1-3H3	C19H20O3	296.36	3	0	35.53	4	0	0	1.0841	5.07018	3.22	3.875	60.9319	90.353	2.2694	287.406259685951
Cond-007129	NPD7159	NPD7159	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9448337636	COc1ccc(/C=C/C(=O)c2c(O)c(C)c3oc(=O)cc(C)c3c2)cc1	InChI=1S/C21H18O5/c1-12-10-19(23)26-21-13(2)20(24)17(11-16(12)21)18(22)9-6-14-4-7-15(25-3)8-5-14/h4-11,24H,1-3H3/b9-6+	C21H18O5	350.365	5	1	72.83	3	4	0	0.943600000000001	4.44178	3.22	4.119	51.7892	103.2565	2.6052	330.489306236407
Cond-007130	NPD716	NPD716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1147358755	COc1ccc(COc2ccc3c(oc(=O)cc3c3ccccc3)c2)cc1	InChI=1S/C23H18O4/c1-25-18-9-7-16(8-10-18)15-26-19-11-12-20-21(17-5-3-2-4-6-17)14-23(24)27-22(20)13-19/h2-14H,15H2,1H3	C23H18O4	358.387	4	0	44.76	4	5	1	-0.1199	4.83737	3.55	7.112	28.9622	106.41	2.6767	330.39813138598
Cond-007131	NPD7160	NPD7160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8194846936	Cc1cc(=O)oc2c(O)c3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C18H20O4/c1-11-9-14(19)21-17-13(11)10-12-5-8-18(6-3-2-4-7-18)22-16(12)15(17)20/h9-10,20H,2-8H2,1H3	C18H20O4	300.349	4	1	55.76	4	0	0	-0.2177	4.79516	3	3.167	54.2595	88.4608	2.2302	281.536960461445
Cond-007132	NPD7161	NPD7161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.605932873	OC(=O)c1cn(CCc2c[nH]c3ccccc23)c(=O)cc1	InChI=1S/C16H14N2O3/c19-15-6-5-12(16(20)21)10-18(15)8-7-11-9-17-14-4-2-1-3-13(11)14/h1-6,9-10,17H,7-8H2,(H,20,21)	C16H14N2O3	282.294	5	2	73.4	3	4	0	-0.9155	2.08686	2.67	1.849	45.7085	82.7508000000001	2.0689	253.695367523884
Cond-007133	NPD7162	NPD7162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8050476843	COc1c(OC)cc(CCNC(=O)c2cn(CCc3c[nH]c4ccccc34)c(=O)cc2)cc1	InChI=1S/C26H27N3O4/c1-32-23-9-7-18(15-24(23)33-2)11-13-27-26(31)20-8-10-25(30)29(17-20)14-12-19-16-28-22-6-4-3-5-21(19)22/h3-10,15-17,28H,11-14H2,1-2H3,(H,27,31)	C26H27N3O4	445.51	7	2	83.66	4	10	0	-1.1469	3.37836000000001	3.55	3.384	69.7263	131.3747	3.3988	415.27636588808
Cond-007134	NPD7164	NPD7164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4939143264	OCc1cc(=O)c(O)c(CN2CCCCC2c2cccnc2)o1	InChI=1S/C17H20N2O4/c20-11-13-8-15(21)17(22)16(23-13)10-19-7-2-1-5-14(19)12-4-3-6-18-9-12/h3-4,6,8-9,14,20,22H,1-2,5,7,10-11H2	C17H20N2O4	316.352	6	2	82.89	3	4	0	-2.3724	1.59887	2.67	1.411	59.52	85.2426000000001	2.3545	295.954496251912
Cond-007135	NPD7165	NPD7165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2976447653	COc1ccc(cc1)C1N(CCc2cc(OC)c(OC)cc12)C(=O)NCCC(=O)Nc1nccs1	InChI=1S/C25H28N4O5S/c1-32-18-6-4-16(5-7-18)23-19-15-21(34-3)20(33-2)14-17(19)9-12-29(23)25(31)27-10-8-22(30)28-24-26-11-13-35-24/h4-7,11,13-15,23H,8-10,12H2,1-3H3,(H,27,31)(H,26,28,30)	C25H28N4O5S	496.579	9	2	130.26	4	11	1	-0.564099999999998	3.69508	3.11	2.673	68.9483	134.9444	3.6229	438.912850929341
Cond-007136	NPD7166	NPD7166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7812318879	COc1c(OC)cc2CN(CCc2c1)C(=O)N[C@@H](CCSC)C(=O)Nc1nccs1	InChI=1S/C20H26N4O4S2/c1-27-16-10-13-4-7-24(12-14(13)11-17(16)28-2)20(26)22-15(5-8-29-3)18(25)23-19-21-6-9-30-19/h6,9-11,15H,4-5,7-8,12H2,1-3H3,(H,22,26)(H,21,23,25)/t15-/m0/s1	C20H26N4O4S2	450.575	8	2	146.33	3	11	1	-0.2373	2.84698	2.56	2.144	78.1222	122.0634	3.2608	393.317559960247
Cond-007137	NPD7167	NPD7167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1689235471	CC(Cc1c[nH]c2c1cccc2)NC(=O)c1cc2c(OCO2)cc1	InChI=1S/C19H18N2O3/c1-12(8-14-10-20-16-5-3-2-4-15(14)16)21-19(22)13-6-7-17-18(9-13)24-11-23-17/h2-7,9-10,12,20H,8,11H2,1H3,(H,21,22)	C19H18N2O3	322.358	5	2	63.35	4	5	0	-1.2946	3.65007	3	3.609	32.3756	98.0517	2.383	282.326862700685
Cond-007138	NPD7168	NPD7168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4112966963	CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC3)cc2O1	InChI=1S/C17H21NO5/c1-17(2)9-13(20)16-12(19)7-11(8-14(16)23-17)22-10-15(21)18-5-3-4-6-18/h7-8,19H,3-6,9-10H2,1-2H3	C17H21NO5	319.352	6	1	76.07	3	4	0	-1.7928	2.10559	2.67	0.764	56.7171	86.0918	2.3564	296.384421445107
Cond-007139	NPD7169	NPD7169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.3963327889	CCn1cc(C(=O)NC(CC(C)C)C(=O)NCCc2cnc[nH]2)c(=O)c2c1cc1OCOc1c2	InChI=1S/C24H29N5O5/c1-4-29-11-17(22(30)16-8-20-21(9-19(16)29)34-13-33-20)23(31)28-18(7-14(2)3)24(32)26-6-5-15-10-25-12-27-15/h8-12,14,18H,4-7,13H2,1-3H3,(H,25,27)(H,26,32)(H,28,31)	C24H29N5O5	467.518	10	3	125.65	4	11	1	-1.7444	2.64076000000001	3	2.981	81.896	130.5759	3.4613	427.641061154841
Cond-007140	NPD7170	NPD7170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.2993835292	Cc1c2oc(=O)c(CC(=O)NCCc3cnc[nH]3)c(C)c2cc2c1occ2c1ccccc1	InChI=1S/C26H23N3O4/c1-15-19-10-21-22(17-6-4-3-5-7-17)13-32-24(21)16(2)25(19)33-26(31)20(15)11-23(30)28-9-8-18-12-27-14-29-18/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,27,29)(H,28,30)	C26H23N3O4	441.479	7	2	97.22	5	7	0	-0.1814	4.41089000000001	3.55	4.612	49.7079	128.9957	3.2472	389.38344848648
Cond-007141	NPD7171	NPD7171	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2521207651	O=C(NCCc1c[nH]cn1)C1CCN(CC1)c1c2nc[nH]c2ncn1	InChI=1S/C16H20N8O/c25-16(18-4-1-12-7-17-8-19-12)11-2-5-24(6-3-11)15-13-14(21-9-20-13)22-10-23-15/h7-11H,1-6H2,(H,17,19)(H,18,25)(H,20,21,22,23)	C16H20N8O	340.383	9	3	115.48	4	6	0	-2.4363	0.853670000000003	2.23	-0.216	43.4325	97.4947	2.4847	281.475475371763
Cond-007142	NPD7172	NPD7172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.6432372622	Cc1c(oc2c(cccc2C(=O)NCCc2c[nH]c3c2cccc3)c1=O)c1ccccc1	InChI=1S/C27H22N2O3/c1-17-24(30)21-11-7-12-22(26(21)32-25(17)18-8-3-2-4-9-18)27(31)28-15-14-19-16-29-23-13-6-5-10-20(19)23/h2-13,16,29H,14-15H2,1H3,(H,28,31)	C27H22N2O3	422.475	5	2	71.19	5	6	1	-0.7385	4.85567	3.88	6.795	40.7989	128.2052	3.1866	384.255987502819
Cond-007143	NPD7173	NPD7173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	59.0442067548	Cc1c(oc2c(cccc2C(=O)Nc2cc3c([nH]cc3)cc2)c1=O)c1ccccc1	InChI=1S/C25H18N2O3/c1-15-22(28)19-8-5-9-20(24(19)30-23(15)16-6-3-2-4-7-16)25(29)27-18-10-11-21-17(14-18)12-13-26-21/h2-14,26H,1H3,(H,27,29)	C25H18N2O3	394.422	5	2	71.19	5	4	1	-1.0057	5.33037	3.66	6.283	31.6349	119.3232	2.9048	349.664018251085
Cond-007144	NPD7174	NPD7174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.523367933	CC(NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1	InChI=1S/C21H27N5O3/c1-15(25-18(27)13-29-16-5-3-2-4-6-16)20(28)26-11-8-21(9-12-26)19-17(7-10-24-21)22-14-23-19/h2-6,14-15,24H,7-13H2,1H3,(H,22,23)(H,25,27)	C21H27N5O3	397.471	8	3	99.35	4	7	0	-3.6862	1.32838	2.89	1.703	62.06	113.5934	3.0072	363.445571277719
Cond-007145	NPD7176	NPD7176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2809420939	CCOC(=O)CCc1c(C)c2ccc([O-])c(C[NH2+]Cc3ccc4OCOc4c3)c2oc1=O	InChI=1S/C24H25NO7/c1-3-29-22(27)9-6-17-14(2)16-5-7-19(26)18(23(16)32-24(17)28)12-25-11-15-4-8-20-21(10-15)31-13-30-20/h4-5,7-8,10,25-26H,3,6,9,11-13H2,1-2H3	C24H25NO7	439.458	8	2	110.73	4	9	0	-1.5312	3.48706	3.22	2.618	62.2655	120.1824	3.1795	401.234473723297
Cond-007146	NPD7177	NPD7177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.0885188893	COc1cc(cc(OC)c1OC)C(=O)Nc1c(oc2ccccc12)C(=O)c1cc2c(OCO2)cc1	InChI=1S/C26H21NO8/c1-30-20-11-15(12-21(31-2)24(20)32-3)26(29)27-22-16-6-4-5-7-17(16)35-25(22)23(28)14-8-9-18-19(10-14)34-13-33-18/h4-12H,13H2,1-3H3,(H,27,29)	C26H21NO8	475.447	9	1	105.46	5	8	0	-1.5108	5.66596	3.33	4.144	43.8261	133.7512	3.2824	402.550834872391
Cond-007147	NPD7178	NPD7178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3563939091	CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(CC3)C(=O)C3COc4c(O3)cccc4)cc2O1	InChI=1S/C26H28N2O8/c1-26(2)13-18(30)24-17(29)11-16(12-21(24)36-26)33-15-23(31)27-7-9-28(10-8-27)25(32)22-14-34-19-5-3-4-6-20(19)35-22/h3-6,11-12,22,29H,7-10,13-15H2,1-2H3	C26H28N2O8	496.509	10	1	114.84	5	6	0	-2.2821	2.49478	3.22	0.953	79.033	131.8518	3.5112	443.256971182958
Cond-007148	NPD7179	NPD7179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5166763265	COc1c(OC)cc(CCNC(=O)c2c[nH]c3ccccc23)cc1	InChI=1S/C19H20N2O3/c1-23-17-8-7-13(11-18(17)24-2)9-10-20-19(22)15-12-21-16-6-4-3-5-14(15)16/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)	C19H20N2O3	324.374	5	2	63.35	3	7	0	-0.8916	3.04928	3	3.651	34.5371	98.3767	2.4916	294.683321401485
Cond-007149	NPD718	NPD718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.216857526	CC(=CCC/C(=C\COc1ccc2c3c(CCC3)c(=O)oc2c1C)/C)C	InChI=1S/C23H28O3/c1-15(2)7-5-8-16(3)13-14-25-21-12-11-19-18-9-6-10-20(18)23(24)26-22(19)17(21)4/h7,11-13H,5-6,8-10,14H2,1-4H3/b16-13-	C23H28O3	352.467	3	0	35.53	3	6	1	3.1102	6.60247000000001	3.66	5.448	82.6664	110.434	2.8986	366.310198189419
Cond-007150	NPD7180	NPD7180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7745929712	Cc1c(CCC(=O)NC(C)(C)CO)c(=O)oc2cc(O)ccc12	InChI=1S/C17H21NO5/c1-10-12-5-4-11(20)8-14(12)23-16(22)13(10)6-7-15(21)18-17(2,3)9-19/h4-5,8,19-20H,6-7,9H2,1-3H3,(H,18,21)	C17H21NO5	319.352	6	3	95.86	2	6	0	-0.224999999999999	2.30397	2.67	1.103	60.1377	89.1193000000001	2.422	306.104421445107
Cond-007151	NPD7181	NPD7181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6414458085	[C@H](C)(O)CNC(=O)CCc1c(C)c2ccc(O)cc2oc1=O	InChI=1S/C16H19NO5/c1-9(18)8-17-15(20)6-5-13-10(2)12-4-3-11(19)7-14(12)22-16(13)21/h3-4,7,9,18-19H,5-6,8H2,1-2H3,(H,17,20)/t9-/m1/s1	C16H19NO5	305.326	6	3	95.86	2	6	0	-0.818200000000001	1.91387	2.56	0.686	55.6663	84.5023	2.2811	288.80843681924
Cond-007152	NPD7182	NPD7182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.4734706781	Cc1c(CC(=O)NCCc2cnc[nH]2)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C25H21N3O4/c1-15-18-9-20-21(16-5-3-2-4-6-16)13-31-22(20)11-23(18)32-25(30)19(15)10-24(29)27-8-7-17-12-26-14-28-17/h2-6,9,11-14H,7-8,10H2,1H3,(H,26,28)(H,27,29)	C25H21N3O4	427.452	7	2	97.22	5	7	0	-0.823399999999999	4.38287	3.44	4.5	44.2058	125.3557	3.1063	372.087463860613
Cond-007153	NPD7183	NPD7183	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5111438959	[C@H]12CCCCN1C[C@@H]1C[C@@H]2C=C2CCCN(C(=O)Cc3c(C)c4c5occ(C)c5c(C)cc4oc3=O)[C@@H]12	InChI=1S/C31H36N2O4/c1-17-11-25-28(30-27(17)18(2)16-36-30)19(3)23(31(35)37-25)14-26(34)33-10-6-7-20-12-21-13-22(29(20)33)15-32-9-5-4-8-24(21)32/h11-12,16,21-22,24,29H,4-10,13-15H2,1-3H3/t21-,22-,24+,29+/m0/s1	C31H36N2O4	500.629	6	0	62.99	7	3	0	-0.262600000000003	5.47120000000001	4.21	3.429	104.1979	143.939	3.8067	472.499528809248
Cond-007154	NPD7184	NPD7184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6747457716	CCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)ccc12	InChI=1S/C22H31NO9/c1-4-5-13-8-19(28)32-22-12(2)17(7-6-14(13)22)31-11-18(27)23(3)9-15(25)20(29)21(30)16(26)10-24/h6-8,15-16,20-21,24-26,29-30H,4-5,9-11H2,1-3H3	C22H31NO9	453.483	10	5	156.99	2	12	1	-2.8262	0.197690000000002	2.78	-0.825	89.6512	119.416	3.3613	427.745251376686
Cond-007155	NPD7185	NPD7185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0402550187	O=C(Cn1cnc2ccccc2c1=O)N1C[C@@H]2C[C@@H](C1)n1c(=O)cccc1C2	InChI=1S/C21H20N4O3/c26-19-7-3-4-15-8-14-9-16(25(15)19)11-23(10-14)20(27)12-24-13-22-18-6-2-1-5-17(18)21(24)28/h1-7,13-14,16H,8-12H2/t14-,16-/m0/s1	C21H20N4O3	376.408	7	0	73.29	5	3	0	-1.7736	1.68926	3	1.129	79.2696	106.3095	2.7128	345.719434967152
Cond-007156	NPD7186	NPD7186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.2755150429	CC(CCc1ccccc1)NC(=O)c1c[nH]c2ccccc12	InChI=1S/C19H20N2O/c1-14(11-12-15-7-3-2-4-8-15)21-19(22)17-13-20-18-10-6-5-9-16(17)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)	C19H20N2O	292.375	3	2	44.89	3	6	1	-1.2799	3.81068	3.22	6.623	27.8151	94.4847	2.3742	277.102868000362
Cond-007157	NPD7188	NPD7188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3663522841	CC(N)C(=O)NCc1cc(=O)n(C)c(=O)n1C	InChI=1S/C10H16N4O3/c1-6(11)9(16)12-5-7-4-8(15)14(3)10(17)13(7)2/h4,6H,5,11H2,1-3H3,(H,12,16)	C10H16N4O3	240.259	7	3	95.74	1	4	0	-2.1112	-0.98242	1.79	-1.761	61.446	63.6441	1.8123	228.971732389817
Cond-007158	NPD7189	NPD7189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9237578376	Oc1cc(OCC(=O)NCCCn2ccnc2)cc2c1c(=O)cc(o2)c1ccccc1	InChI=1S/C23H21N3O5/c27-18-11-17(30-14-22(29)25-7-4-9-26-10-8-24-15-26)12-21-23(18)19(28)13-20(31-21)16-5-2-1-3-6-16/h1-3,5-6,8,10-13,15,27H,4,7,9,14H2,(H,25,29)	C23H21N3O5	419.43	8	2	102.68	4	9	0	-2.2062	3.07667	3.11	3.132	47.9575	116.8535	3.0348	372.178638711041
Cond-007159	NPD719	NPD719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0008606052	CCOc1cc(ccc1O)c1cc(=O)c2c(C)oc(C)c2c(OCC)c1	InChI=1S/C21H22O5/c1-5-24-18-10-14(7-8-16(18)22)15-9-17(23)20-12(3)26-13(4)21(20)19(11-15)25-6-2/h7-11,22H,5-6H2,1-4H3	C21H22O5	354.396	5	1	68.9	3	5	0	0.584499999999998	3.73572000000001	3.22	3.345	62.8836	100.7668	2.6912	335.762223638007
Cond-007160	NPD7190	NPD7190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5987670583	CC(C)CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O	InChI=1S/C18H25N3O3/c1-13(2)10-11-19-16(22)9-8-15-17(23)21(18(24)20-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,22)(H,20,24)/t15-/m0/s1	C18H25N3O3	331.409	6	2	78.51	2	9	0	-1.4882	1.30799	2.78	3.81	59.713	93.1084	2.6451	327.813473086185
Cond-007161	NPD7191	NPD7191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5799567944	[C@@H]12CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)Nc3ccc(C)cc3)[C@@]1(C)CC[C@H](O)C2(C)C	InChI=1S/C38H55NO3/c1-24-10-12-25(13-11-24)39-31(42)33(4)18-19-34(5)20-21-36(7)28(38(34,9)23-33)22-26(40)30-35(6)16-15-29(41)32(2,3)27(35)14-17-37(30,36)8/h10-13,22,27,29-30,41H,14-21,23H2,1-9H3,(H,39,42)/t27-,29-,30+,33-,34+,35-,36+,37+,38-/m0/s1	C38H55NO3	573.848	4	2	66.4	6	3	1	2.4682	9.14499	5.2	9.813	144.1939	171.9805	4.8291	602.313810383984
Cond-007162	NPD7192	NPD7192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8766531429	OC(=O)CSc1c2[nH]cnc2ncn1	InChI=1S/C7H6N4O2S/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H2,(H,12,13)(H,8,9,10,11)	C7H6N4O2S	210.213	6	2	117.06	2	3	0	-0.2714	0.11987	1.46	-0.265	22.8748	50.4118	1.3428	150.009658467656
Cond-007163	NPD7193	NPD7193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.616523526	Nc1nc(SCC(=O)O)c2[nH]cnc2n1	InChI=1S/C7H7N5O2S/c8-7-11-5-4(9-2-10-5)6(12-7)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12)	C7H7N5O2S	225.228	7	4	143.08	2	3	0	-1.0213	0.10726	1.35	-0.8	27.0969	55.8652	1.4426	161.006418675822
Cond-007164	NPD7194	NPD7194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0319300279	CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O	InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1	C15H18N2O3	274.315	5	3	82.19	2	6	0	-0.844400000000001	2.09298	2.56	2.032	40.1006	81.1235	2.1226	254.028759000417
Cond-007165	NPD7195	NPD7195	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.0059012593	Nc1cc(O)nc(=O)n1CCc1c[nH]c2c1cccc2	InChI=1S/C14H14N4O2/c15-12-7-13(19)17-14(20)18(12)6-5-9-8-16-11-4-2-1-3-10(9)11/h1-4,7-8,16H,5-6,15H2,(H,17,19,20)	C14H14N4O2	270.287	6	4	94.71	3	3	0	-1.3769	1.24776	2.34	1.564	40.6894	81.3112	1.971	234.943150688723
Cond-007166	NPD7196	NPD7196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6398124243	COc1noc(CCC(=O)NCCc2c[nH]c3ccccc23)c1	InChI=1S/C17H19N3O3/c1-22-17-10-13(23-20-17)6-7-16(21)18-9-8-12-11-19-15-5-3-2-4-14(12)15/h2-5,10-11,19H,6-9H2,1H3,(H,18,21)	C17H19N3O3	313.351	6	2	80.15	3	8	0	-0.703499999999999	3.01837	2.67	2.678	37.8414	92.1457	2.3526	273.724571058718
Cond-007167	NPD7197	NPD7197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	72.9964697824	O=C(CCCc1nc(no1)c1cccnc1)NCCc1c[nH]c2ccccc12	InChI=1S/C21H21N5O2/c27-19(23-12-10-15-14-24-18-7-2-1-6-17(15)18)8-3-9-20-25-21(26-28-20)16-5-4-11-22-13-16/h1-2,4-7,11,13-14,24H,3,8-10,12H2,(H,23,27)	C21H21N5O2	375.424	7	2	96.7	4	9	0	-1.4833	3.90527000000001	3	3.537	31.897	112.1207	2.8195	324.945968474758
Cond-007168	NPD7198	NPD7198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.8267558881	Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc1c2C	InChI=1S/C25H19NO6/c1-12-11-30-23-14(3)24-18(9-17(12)23)13(2)19(25(29)32-24)10-21(27)26-16-5-6-20-15(8-16)4-7-22(28)31-20/h4-9,11H,10H2,1-3H3,(H,26,27)	C25H19NO6	429.421	7	1	94.84	5	4	0	1.4274	5.19510000000001	3.44	3.623	60.8214	122.3837	3.0241	378.574396845402
Cond-007169	NPD720	NPD720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1895151603	CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C26H30N4O6/c1-16(2)23(30-26(35)36-15-17-8-4-3-5-9-17)24(32)28-14-22(31)29-21(25(33)34)12-18-13-27-20-11-7-6-10-19(18)20/h3-11,13,16,21,23,27H,12,14-15H2,1-2H3,(H,28,32)(H,29,31)(H,30,35)(H,33,34)	C26H30N4O6	494.54	10	5	149.62	3	15	1	-1.8829	1.52878	3.22	4.086	69.2481	136.5389	3.72460000000001	456.210038198169
Cond-007170	NPD7200	NPD7200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.4370093261	Cc1coc2c1cc1c(oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c1C)c2	InChI=1S/C23H18N2O4/c1-12-11-28-20-10-21-17(8-16(12)20)13(2)18(23(27)29-21)9-22(26)25-15-3-4-19-14(7-15)5-6-24-19/h3-8,10-11,24H,9H2,1-2H3,(H,25,26)	C23H18N2O4	386.4	6	2	84.33	5	4	0	0.0950000000000001	5.33358	3.33	3.255	42.0841	114.5457	2.7677	329.135193101513
Cond-007171	NPD7201	NPD7201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.9887243796	Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc1c2C	InChI=1S/C24H20N2O4/c1-12-11-29-22-14(3)23-18(9-17(12)22)13(2)19(24(28)30-23)10-21(27)26-16-4-5-20-15(8-16)6-7-25-20/h4-9,11,25H,10H2,1-3H3,(H,26,27)	C24H20N2O4	400.427	6	2	84.33	5	4	0	0.737	5.3616	3.44	3.367	47.5862	118.1857	2.9086	346.43117772738
Cond-007172	NPD7202	NPD7202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0380420465	COc1ccc2c(C)c(CC(=O)NCCNC(=O)c3ccncc3)c(=O)oc2c1OC	InChI=1S/C22H23N3O6/c1-13-15-4-5-17(29-2)20(30-3)19(15)31-22(28)16(13)12-18(26)24-10-11-25-21(27)14-6-8-23-9-7-14/h4-9H,10-12H2,1-3H3,(H,24,26)(H,25,27)	C22H23N3O6	425.435	9	2	115.85	3	10	0	-0.687699999999998	2.27957	2.89	1.058	63.1604	116.2139	3.1042	389.565798187335
Cond-007173	NPD7203	NPD7203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.1196058802	Cc1c(oc2c(cccc2C(=O)NCC(O)COCc2ccco2)c1=O)c1ccccc1	InChI=1S/C25H23NO6/c1-16-22(28)20-10-5-11-21(24(20)32-23(16)17-7-3-2-4-8-17)25(29)26-13-18(27)14-30-15-19-9-6-12-31-19/h2-12,18,27H,13-15H2,1H3,(H,26,29)	C25H23NO6	433.453	7	2	98	4	9	0	-1.3694	3.02038	3.44	4.528	51.6722	120.773	3.1757	393.567314247002
Cond-007174	NPD7204	NPD7204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.0214974445	Cc1c(CC(=O)N2CCc3c(C2)nc[nH]3)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C26H21N3O4/c1-15-17-9-19-20(16-5-3-2-4-6-16)13-32-23(19)11-24(17)33-26(31)18(15)10-25(30)29-8-7-21-22(12-29)28-14-27-21/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,27,28)	C26H21N3O4	439.463	7	1	88.43	6	4	0	-0.8118	5.13446000000001	3.55	4.506	48.918	129.355	3.1386	377.02698978568
Cond-007175	NPD7205	NPD7205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4312661363	COc1ccc2[nH]cc(CCNc3c4[nH]cnc4nc(Cl)n3)c2c1	InChI=1S/C16H15ClN6O/c1-24-10-2-3-12-11(6-10)9(7-19-12)4-5-18-14-13-15(21-8-20-13)23-16(17)22-14/h2-3,6-8,19H,4-5H2,1H3,(H2,18,20,21,22,23)	C16H15ClN6O	342.783	7	3	91.51	4	5	0	-0.746199999999999	3.40257	2.34	1.874	32.3719	97.7257	2.3645	261.156564025062
Cond-007176	NPD7206	NPD7206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8944096106	O=C1N(CC2CCCO2)C(=S)S/C/1=C\N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H23N3O3S2/c24-18-5-1-4-16-14-7-13(9-22(16)18)8-21(10-14)12-17-19(25)23(20(27)28-17)11-15-3-2-6-26-15/h1,4-5,12-15H,2-3,6-11H2/b17-12-/t13-,14-,15?/m0/s1	C20H23N3O3S2	417.545	6	0	110.48	5	3	0	-0.762000000000001	2.11356	2.78	0.843	112.158	113.498	2.9281	373.254114350719
Cond-007177	NPD7207	NPD7207	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1184467043	OC1=NC(=O)C(O)(C(=N1)O)c1c(O)c2c(oc1=O)cccc2	InChI=1S/C13H8N2O7/c16-8-5-3-1-2-4-6(5)22-9(17)7(8)13(21)10(18)14-12(20)15-11(13)19/h1-4,16,21H,(H2,14,15,18,19,20)	C13H8N2O7	304.212	9	4	149.01	3	1	0	-2.1879	0.54656	1.9	1.07	43.3587	78.6442000000001	1.881	247.868320448528
Cond-007178	NPD7208	NPD7208	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2992781495	COc1c2CN(C)CCc2c(CNS(=O)(=O)c2ccccc2)c2c1OCO2	InChI=1S/C19H22N2O5S/c1-21-9-8-14-15(10-20-27(22,23)13-6-4-3-5-7-13)18-19(26-12-25-18)17(24-2)16(14)11-21/h3-7,20H,8-12H2,1-2H3	C19H22N2O5S	390.453	7	1	85.48	4	5	0	-0.8851	2.83619	2.67	1.73	53.1126	98.4607	2.7499	334.589257561007
Cond-007179	NPD7209	NPD7209	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.9692818378	COc1ccc2n(CC(=O)C)c3c(nc4ccccc4n3)c2c1	InChI=1S/C18H15N3O2/c1-11(22)10-21-16-8-7-12(23-2)9-13(16)17-18(21)20-15-6-4-3-5-14(15)19-17/h3-9H,10H2,1-2H3	C18H15N3O2	305.331	5	0	57.01	4	3	0	-0.4943	4.37957	2.89	2.993	25.5462	95.098	2.2402	253.700952881623
Cond-007180	NPD7210	NPD7210	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1073818431	CC(=O)Nc1cc2c(cc1)nc1c(O)nc(O)nc1n2	InChI=1S/C12H9N5O3/c1-5(18)13-6-2-3-7-8(4-6)15-10-9(14-7)11(19)17-12(20)16-10/h2-4H,1H3,(H,13,18)(H2,15,16,17,19,20)	C12H9N5O3	271.232	8	3	121.12	3	2	0	-1.5455	2.99215	1.9	0.0959999999999999	17.9951	76.8763	1.8047	206.601709644917
Cond-007181	NPD7212	NPD7212	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7340745034	O=C(COc1ccc2c(oc(=O)cc2c2ccccc2)c1)N1CCc2c(C1)nc[nH]2	InChI=1S/C23H19N3O4/c27-22(26-9-8-19-20(12-26)25-14-24-19)13-29-16-6-7-17-18(15-4-2-1-3-5-15)11-23(28)30-21(17)10-16/h1-7,10-11,14H,8-9,12-13H2,(H,24,25)	C23H19N3O4	401.415	7	1	84.52	5	5	0	-1.6015	3.31976	3.22	4.572	44.5737	115.068	2.8675	351.03195330968
Cond-007182	NPD7213	NPD7213	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0363559724	Cc1coc2c1cc1c(C)c(CCC(=O)N3CCc4c(C3)nc[nH]4)c(=O)oc1c2C	InChI=1S/C23H23N3O4/c1-12-10-29-21-14(3)22-17(8-16(12)21)13(2)15(23(28)30-22)4-5-20(27)26-7-6-18-19(9-26)25-11-24-18/h8,10-11H,4-7,9H2,1-3H3,(H,24,25)	C23H23N3O4	405.446	7	1	88.43	5	4	0	0.5346	3.8652	3.22	1.88	64.7876	114.932	2.9535	356.30487071128
Cond-007183	NPD7214	NPD7214	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.0642288846	Cc1c(CCC(=O)N2CCc3c(C2)nc[nH]3)c(=O)oc2cc3c(cc12)c(co3)c1ccccc1	InChI=1S/C27H23N3O4/c1-16-18(7-8-26(31)30-10-9-22-23(13-30)29-15-28-22)27(32)34-25-12-24-20(11-19(16)25)21(14-33-24)17-5-3-2-4-6-17/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,28,29)	C27H23N3O4	453.489	7	1	88.43	6	5	0	-0.749400000000001	5.52456000000001	3.66	4.675	53.7834	133.972	3.2795	394.322974411547
Cond-007184	NPD7215	NPD7215	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.137889246	OC1CC(N(C1)C(=O)Cc1nnc(O)c2ccccc12)C(=O)O	InChI=1S/C15H15N3O5/c19-8-5-12(15(22)23)18(7-8)13(20)6-11-9-3-1-2-4-10(9)14(21)17-16-11/h1-4,8,12,19H,5-7H2,(H,17,21)(H,22,23)	C15H15N3O5	317.297	8	3	123.85	3	4	0	-2.2443	0.968570000000001	2.23	0.432	38.6837	83.9924000000001	2.1882	267.613055208106
Cond-007185	NPD7216	NPD7216	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3664049739	COc1ccc(cc1OC)c1c(C)oc2cc(OCC(=O)NCc3ccncc3)ccc2c1=O	InChI=1S/C26H24N2O6/c1-16-25(18-4-7-21(31-2)23(12-18)32-3)26(30)20-6-5-19(13-22(20)34-16)33-15-24(29)28-14-17-8-10-27-11-9-17/h4-13H,14-15H2,1-3H3,(H,28,29)	C26H24N2O6	460.479	8	1	95.98	4	9	0	-1.2357	3.24648	3.44	3.356	54.0902	126.3227	3.3734	419.223600380235
Cond-007186	NPD7217	NPD7217	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	77.9282364719	COc1ccc2[nH]cc(CCNC(=O)Cc3ccccc3)c2c1	InChI=1S/C19H20N2O2/c1-23-16-7-8-18-17(12-16)15(13-21-18)9-10-20-19(22)11-14-5-3-2-4-6-14/h2-8,12-13,21H,9-11H2,1H3,(H,20,22)	C19H20N2O2	308.374	4	2	54.12	3	7	0	-0.805	3.23508	3.11	4.502	31.7705	96.4267	2.4329	285.893094700923
Cond-007187	NPD7218	NPD7218	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2571262975	Cc1coc2c1cc1c(oc(=O)c(CC(=O)NCCc3cnc[nH]3)c1C)c2	InChI=1S/C20H19N3O4/c1-11-9-26-17-7-18-15(5-14(11)17)12(2)16(20(25)27-18)6-19(24)22-4-3-13-8-21-10-23-13/h5,7-10H,3-4,6H2,1-2H3,(H,21,23)(H,22,24)	C20H19N3O4	365.383	7	2	97.22	4	6	0	-0.1814	2.69549	2.89	1.593	49.7079	102.6757	2.6394	316.77337553448
Cond-007188	NPD7219	NPD7219	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.6514568734	OC(=O)Cc1cs/c(=N\C(=O)COc2ccc3ccc(=O)oc3c2)/[nH]1	InChI=1S/C16H12N2O6S/c19-13(18-16-17-10(8-25-16)5-14(20)21)7-23-11-3-1-9-2-4-15(22)24-12(9)6-11/h1-4,6,8H,5,7H2,(H,20,21)(H,17,18,19)	C16H12N2O6S	360.341	8	2	139.59	3	6	0	-0.9282	2.51165	2.23	2.964	64.6075	96.1435	2.3655	306.838612982368
Cond-007189	NPD722	NPD722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0439799489	COc1ccc(OCC(=O)Nc2c(NC(=O)COc3ccc(OC)cc3)cc(cc2)C(=O)O)cc1	InChI=1S/C25H24N2O8/c1-32-17-4-8-19(9-5-17)34-14-23(28)26-21-12-3-16(25(30)31)13-22(21)27-24(29)15-35-20-10-6-18(33-2)7-11-20/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)	C25H24N2O8	480.467	10	3	132.42	3	13	1	-2.3248	4.40697	3.11	3.265	49.0961	134.7822	3.4585	431.864527856291
Cond-007190	NPD7220	NPD7220	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1761420517	O=C(NCCc1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12	InChI=1S/C20H17N3O2/c24-19-11-16(15-6-2-4-8-18(15)23-19)20(25)21-10-9-13-12-22-17-7-3-1-5-14(13)17/h1-8,11-12,22H,9-10H2,(H,21,25)(H,23,24)	C20H17N3O2	331.368	5	3	73.99	4	5	0	-1.2573	2.83677	3.11	3.492	36.3704	101.7154	2.479	296.556463432557
Cond-007191	NPD7221	NPD7221	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8594762632	Cc1coc2c1cc1c(C)c(CC(=O)N3CCc4c(C3)nc[nH]4)c(=O)oc1c2C	InChI=1S/C22H21N3O4/c1-11-9-28-20-13(3)21-15(6-14(11)20)12(2)16(22(27)29-21)7-19(26)25-5-4-17-18(8-25)24-10-23-17/h6,9-10H,4-5,7-8H2,1-3H3,(H,23,24)	C22H21N3O4	391.42	7	1	88.43	5	3	0	0.472200000000001	3.4751	3.11	1.711	59.9222	110.315	2.8126	339.008886085413
Cond-007192	NPD7222	NPD7222	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.9243374256	CC1(C)CC(CCO1)C(=O)N[C@H](C(=O)O)c1ccccc1	InChI=1S/C16H21NO4/c1-16(2)10-12(8-9-21-16)14(18)17-13(15(19)20)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t12?,13-/m0/s1	C16H21NO4	291.342	5	2	75.63	2	5	0	-0.9504	2.02649	2.67	2.996	49.4815	80.1815000000001	2.2654	282.654668819479
Cond-007193	NPD7224	NPD7224	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2449022604	COc1c2c(C)c(CCC(=O)NC3CCS(=O)(=O)C3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C23H29NO7S/c1-13-15(5-6-19(25)24-14-8-10-32(27,28)12-14)22(26)30-21-16-7-9-23(2,3)31-17(16)11-18(29-4)20(13)21/h11,14H,5-10,12H2,1-4H3,(H,24,25)	C23H29NO7S	463.544	8	1	116.38	4	6	0	0.0557	4.70836000000001	3	2.017	92.9239	125.0337	3.3311	421.25688925743
Cond-007194	NPD7225	NPD7225	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.3963327889	Cc1c(C)c2c(o1)cc1oc(=O)c(CCC(=O)NCCc3cnc[nH]3)c(C)c1c2	InChI=1S/C22H23N3O4/c1-12-14(3)28-19-9-20-18(8-17(12)19)13(2)16(22(27)29-20)4-5-21(26)24-7-6-15-10-23-11-25-15/h8-11H,4-7H2,1-3H3,(H,23,25)(H,24,26)	C22H23N3O4	393.436	7	2	97.22	4	7	0	0.320500000000001	3.09441	3.11	2.259	60.3058	113.3617	2.9212	351.365344786213
Cond-007195	NPD7226	NPD7226	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3042309921	Oc1cc(OCC(=O)Nc2cc3c([nH]cc3)cc2)cc2c1c(=O)cc(o2)c1ccccc1	InChI=1S/C25H18N2O5/c28-20-11-18(31-14-24(30)27-17-6-7-19-16(10-17)8-9-26-19)12-23-25(20)21(29)13-22(32-23)15-4-2-1-3-5-15/h1-13,26,28H,14H2,(H,27,30)	C25H18N2O5	426.421	7	3	100.65	5	6	0	-2.375	4.91186	3.44	4.629	36.0235	124.6035	3.02220000000001	367.244471652207
Cond-007196	NPD7227	NPD7227	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.9011012171	CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)Oc1ccc2nc3CCCn3c(=O)c2c1	InChI=1S/C27H28N4O5/c1-27(2,3)36-26(34)30-22(13-16-15-28-20-8-5-4-7-18(16)20)25(33)35-17-10-11-21-19(14-17)24(32)31-12-6-9-23(31)29-21/h4-5,7-8,10-11,14-15,22,28H,6,9,12-13H2,1-3H3,(H,30,34)/t22-/m0/s1	C27H28N4O5	488.535	9	2	113.09	5	9	0	-0.498300000000001	4.40866000000001	3.44	4.536	71.8863	141.8062	3.5896	440.002878721875
Cond-007197	NPD7228	NPD7228	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	73.8816586754	CN(C)Cc1c2c(=O)n3CCCc3nc2ccc1O	InChI=1S/C14H17N3O2/c1-16(2)8-9-11(18)6-5-10-13(9)14(19)17-7-3-4-12(17)15-10/h5-6,18H,3-4,7-8H2,1-2H3	C14H17N3O2	259.304	5	1	56.14	3	2	0	-1.0726	1.31469	2.45	0.305	47.3813	76.2098	1.9572	240.119307882156
Cond-007198	NPD7229	NPD7229	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.471784604	C(N1CCC2(CC1)NCCc1c2nc[nH]1)c1ccccc1	InChI=1S/C17H22N4/c1-2-4-14(5-3-1)12-21-10-7-17(8-11-21)16-15(6-9-20-17)18-13-19-16/h1-5,13,20H,6-12H2,(H,18,19)	C17H22N4	282.383	4	2	43.95	4	2	0	-1.9301	1.74929	2.89	3.099	39.3846	84.1717	2.2537	262.167109866001
Cond-007199	NPD723	NPD723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3919679481	Cc1cc(=O)oc2c3c(oc(C(=O)c4ccccc4)c3c3ccccc3)ccc12	InChI=1S/C25H16O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14H,1H3	C25H16O4	380.392	4	0	56.51	5	3	1	0.2985	6.17956	3.77	7.851	27.7823	118.0995	2.7639	336.460724535313
Cond-007200	NPD7230	NPD7230	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5976605722	CC(C)N1CCC2(CC1)NCCc1c2nc[nH]1	InChI=1S/C13H22N4/c1-10(2)17-7-4-13(5-8-17)12-11(3-6-16-13)14-9-15-12/h9-10,16H,3-8H2,1-2H3,(H,14,15)	C13H22N4	234.341	4	2	43.95	3	1	0	-1.8895	1.29699	2.45	1.074	49.8677	69.9177000000001	1.9277	224.149006165734
Cond-007201	NPD7231	NPD7231	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.6182096001	CCCN1CCC2(CC1)NCCc1c2nc[nH]1	InChI=1S/C13H22N4/c1-2-7-17-8-4-13(5-9-17)12-11(3-6-16-13)14-10-15-12/h10,16H,2-9H2,1H3,(H,14,15)	C13H22N4	234.341	4	2	43.95	3	2	0	-2.1668	1.29859	2.45	0.972	48.1949	69.9397	1.9277	224.149006165734
Cond-007202	NPD7232	NPD7232	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.3353706728	CC(C)N1C(=O)C(Cc2nc3ccccc3c(O)n2)c2c1cccc2	InChI=1S/C20H19N3O2/c1-12(2)23-17-10-6-4-7-13(17)15(20(23)25)11-18-21-16-9-5-3-8-14(16)19(24)22-18/h3-10,12,15H,11H2,1-2H3,(H,21,22,24)	C20H19N3O2	333.384	5	1	66.32	4	3	0	-0.932000000000001	4.58287	3.11	4.348	33.2748	101.4198	2.522	299.192922133357
Cond-007203	NPD7233	NPD7233	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1140207598	C[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(N)cc1)C2=O	InChI=1S/C16H21N3O/c1-15-7-18-9-16(2,14(15)20)10-19(8-15)13(18)11-3-5-12(17)6-4-11/h3-6,13H,7-10,17H2,1-2H3/t13?,15-,16+	C16H21N3O	271.357	4	2	49.57	1	1	0	-0.2643	1.38669	2.78	0.482	53.6356	80.4274	2.1147	256.201050433329
Cond-007204	NPD7234	NPD7234	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.282628168	CCOC(=O)C1C(C(=O)OCC)C2(CCOC(C)(C)C2)OC1=O	InChI=1S/C16H24O7/c1-5-20-12(17)10-11(14(19)21-6-2)16(23-13(10)18)7-8-22-15(3,4)9-16/h10-11H,5-9H2,1-4H3	C16H24O7	328.358	7	0	88.13	2	6	0	0.0837999999999983	1.46349	2.45	1.145	76.2786	81.577	2.4277	314.201506114596
Cond-007205	NPD7236	NPD7236	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6592022762	COCCN1[C@H]([C@@H](CC1=O)C(=O)O)c1cccc(OC)c1	InChI=1S/C15H19NO5/c1-20-7-6-16-13(17)9-12(15(18)19)14(16)10-4-3-5-11(8-10)21-2/h3-5,8,12,14H,6-7,9H2,1-2H3,(H,18,19)/t12-,14+/m1/s1	C15H19NO5	293.315	6	1	76.07	2	6	0	-1.1153	1.20859	2.45	0.56	50.2855	77.5318	2.1832	274.148910894173
Cond-007206	NPD7237	NPD7237	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0174930186	Cc1c(CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)c(=O)oc2cc3c(CCC4(CCCCC4)O3)cc12	InChI=1S/C26H33N3O7/c1-15-17-12-16-7-10-26(8-3-2-4-9-26)36-20(16)14-21(17)35-24(33)18(15)13-22(30)29-19(23(31)32)6-5-11-28-25(27)34/h12,14,19H,2-11,13H2,1H3,(H,29,30)(H,31,32)(H3,27,28,34)/t19-/m0/s1	C26H33N3O7	499.556	10	5	157.05	4	10	0	-2.0353	3.86776	3.22	2.125	93.5607	136.7426	3.7039	471.356422092164
Cond-007207	NPD7238	NPD7238	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5505031877	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NC3CCS(=O)(=O)C3)cc2O1	InChI=1S/C23H27NO7S/c1-23(2)8-6-16-17(31-23)10-18(20-14-4-3-5-15(14)22(26)30-21(16)20)29-11-19(25)24-13-7-9-32(27,28)12-13/h10,13H,3-9,11-12H2,1-2H3,(H,24,25)	C23H27NO7S	461.528	8	1	116.38	5	5	0	-1.1508	4.46236000000001	3	2.048	89.5149	122.9197	3.2225	408.90043055663
Cond-007208	NPD7239	NPD7239	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.3764160388	CCOC(=O)N1CCN(CC1)C(=O)CCc1c(C)c2c(OC)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C26H34N2O7/c1-6-33-25(31)28-13-11-27(12-14-28)21(29)8-7-17-16(2)22-20(32-5)15-19-18(23(22)34-24(17)30)9-10-26(3,4)35-19/h15H,6-14H2,1-5H3	C26H34N2O7	486.557	9	0	94.61	4	8	0	1.1112	4.62496000000001	3.33	2.25	106.1805	134.963	3.6471	462.996120584797
Cond-007209	NPD724	NPD724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.608686681	C[C@H]1C2[C@H](OC1=O)C1C(=CC(=O)C1=C(C)C[C@@H]2OC(=O)C(Cl)(Cl)Cl)C	InChI=1S/C17H17Cl3O5/c1-6-4-9(21)11-7(2)5-10(24-16(23)17(18,19)20)13-8(3)15(22)25-14(13)12(6)11/h4,8,10,12-14H,5H2,1-3H3/t8-,10-,12?,13?,14+/m0/s1	C17H17Cl3O5	407.673	5	0	69.67	3	3	0	2.5877	3.39777	2.45	1.74	94.3722	94.978	2.6238	341.92086454824
Cond-007210	NPD7240	NPD7240	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1239791348	Cc1coc2c1cc1c(oc(=O)c(CCC(=O)NCc3nc(no3)c3ccccc3)c1C)c2	InChI=1S/C25H21N3O5/c1-14-13-31-20-11-21-19(10-18(14)20)15(2)17(25(30)32-21)8-9-22(29)26-12-23-27-24(28-33-23)16-6-4-3-5-7-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,26,29)	C25H21N3O5	443.451	8	1	107.46	5	7	0	0.4353	4.94678	3.33	4.672	49.9808	126.7377	3.165	380.877690561174
Cond-007211	NPD7241	NPD7241	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7496179988	O=C(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc2nc(sc2c1)n1cccc1	InChI=1S/C23H20N4O2S/c28-21-5-3-4-19-17-10-15(13-27(19)21)12-26(14-17)22(29)16-6-7-18-20(11-16)30-23(24-18)25-8-1-2-9-25/h1-9,11,15,17H,10,12-14H2/t15-,17-/m0/s1	C23H20N4O2S	416.496	6	0	86.16	6	3	0	-0.798700000000001	3.43445	3.22	2.331	70.0719	116.1215	2.9478	353.237284174324
Cond-007212	NPD7242	NPD7242	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6930291375	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)NCCC(=O)O)c(C)c3c2o1	InChI=1S/C31H31N3O7/c1-15-11-24-28(29-27(15)16(2)18(4)40-29)17(3)21(31(39)41-24)13-25(35)34-23(30(38)32-10-9-26(36)37)12-19-14-33-22-8-6-5-7-20(19)22/h5-8,11,14,23,33H,9-10,12-13H2,1-4H3,(H,32,38)(H,34,35)(H,36,37)/t23-/m1/s1	C31H31N3O7	557.594	10	4	150.73	5	11	1	0.2536	4.03793000000001	3.77	3.402	85.4291	158.3822	4.0848	499.597593016697
Cond-007213	NPD7243	NPD7243	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2631856262	Cc1c2oc(=O)c(C)c(C)c2cc2c1occ2CCNC(=O)c1c(cccc1)C(=O)O	InChI=1S/C24H21NO6/c1-12-13(2)24(29)31-21-14(3)20-19(10-18(12)21)15(11-30-20)8-9-25-22(26)16-6-4-5-7-17(16)23(27)28/h4-7,10-11H,8-9H2,1-3H3,(H,25,26)(H,27,28)	C24H21NO6	419.427	7	2	105.84	4	6	0	1.15	3.79311	3.33	3.808	56.1203	118.646	3.0348	376.271329621135
Cond-007214	NPD7244	NPD7244	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.2366299594	Cc1c(C)c2c(o1)c(C)c1oc(=S)c(C)c(C)c1c2	InChI=1S/C16H16O2S/c1-7-8(2)16(19)18-15-10(4)14-13(6-12(7)15)9(3)11(5)17-14/h6H,1-5H3	C16H16O2S	272.362	2	0	54.46	3	0	0	3.738	4.56636	2.89	3.349	51.521	83.384	2.0601	246.693561866189
Cond-007215	NPD7245	NPD7245	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1494810053	Cc1coc2c1cc1c(C)cc(=S)oc1c2	InChI=1S/C13H10O2S/c1-7-3-13(16)15-12-5-11-10(4-9(7)12)8(2)6-14-11/h3-6H,1-2H3	C13H10O2S	230.282	2	0	54.46	3	0	0	2.1034	3.51001	2.56	2.559	35.9293	68.894	1.6374	194.805607988589
Cond-007216	NPD7246	NPD7246	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2992254597	Cc1c(C)c2c(o1)cc1oc(=S)cc(C)c1c2	InChI=1S/C14H12O2S/c1-7-4-14(17)16-12-6-13-11(5-10(7)12)8(2)9(3)15-13/h4-6H,1-3H3	C14H12O2S	244.309	2	0	54.46	3	0	0	2.5429	3.91082	2.67	3.056	41.6618	73.799	1.7783	212.101592614456
Cond-007217	NPD7248	NPD7248	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8400688802	Cc1coc2c1cc1c(C)c/c(=N\O)/oc1c2C	InChI=1S/C14H13NO3/c1-7-4-12(15-16)18-14-9(3)13-11(5-10(7)14)8(2)6-17-13/h4-6,16H,1-3H3/b15-12+	C14H13NO3	243.258	4	1	54.96	3	0	0	1.8882	3.76091	2.56	2.663	36.9754	70.4127	1.7733	213.379555465584
Cond-007218	NPD7249	NPD7249	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9891298499	COc1ccc2C(CC(=O)NCc3cc(OC)c(OC)cc3)OC(=O)c2c1OC	InChI=1S/C21H23NO7/c1-25-14-7-5-12(9-17(14)27-3)11-22-18(23)10-16-13-6-8-15(26-2)20(28-4)19(13)21(24)29-16/h5-9,16H,10-11H2,1-4H3,(H,22,23)	C21H23NO7	401.41	8	1	92.32	3	9	0	-0.9371	1.9815	2.89	2.253	55.6557	105.4657	2.9084	364.339437247296
Cond-007219	NPD725	NPD725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.9474132224	CCOc1ccc(cc1)c1c/c(=N\c2ccc(OC)cc2OC)/c2c(C)oc(C)c2c(OCC)c1	InChI=1S/C29H31NO5/c1-7-33-22-11-9-20(10-12-22)21-15-25(30-24-14-13-23(31-5)17-26(24)32-6)28-18(3)35-19(4)29(28)27(16-21)34-8-2/h9-17H,7-8H2,1-6H3/b30-25+	C29H31NO5	473.56	6	0	62.42	4	8	1	1.0994	5.91472000000001	3.99	6.34	76.2077	138.308	3.6806	453.961026049908
Cond-007220	NPD7250	NPD7250	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8833342302	COC(=O)CC[C@H](NC(=O)NCCc1cc(OC)c(OC)cc1)C(=O)OC	InChI=1S/C18H26N2O7/c1-24-14-7-5-12(11-15(14)25-2)9-10-19-18(23)20-13(17(22)27-4)6-8-16(21)26-3/h5,7,11,13H,6,8-10H2,1-4H3,(H2,19,20,23)/t13-/m0/s1	C18H26N2O7	382.408	9	2	112.19	1	14	1	-0.852	0.638290000000001	2.45	1.12	68.4986	99.6924	2.8887	364.334078381063
Cond-007221	NPD7251	NPD7251	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0555346284	CNC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C13H17N3OS/c1-14-13(18)15-6-9-5-10(8-15)11-3-2-4-12(17)16(11)7-9/h2-4,9-10H,5-8H2,1H3,(H,14,18)/t9-,10+/m0/s1	C13H17N3OS	263.359	4	1	67.67	3	2	0	-0.393999999999999	0.81097	2.34	0.733	75.5691	76.4667	1.9641	246.078579314128
Cond-007222	NPD7252	NPD7252	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.028735942	CNC(=S)N1CCc2c(cc(OC)c(OC)c2)C1c1cc(OC)c(OC)c(OC)c1	InChI=1S/C22H28N2O5S/c1-23-22(30)24-8-7-13-9-16(25-2)17(26-3)12-15(13)20(24)14-10-18(27-4)21(29-6)19(11-14)28-5/h9-12,20H,7-8H2,1-6H3,(H,23,30)	C22H28N2O5S	432.533	7	1	93.51	3	8	0	0.3315	3.32439	3	3.012	72.7711	119.9107	3.2382	396.197211438608
Cond-007223	NPD7253	NPD7253	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7766237959	O=C(CNC(=O)c1ccc2OCOc2c1)NCCc1cnc[nH]1	InChI=1S/C15H16N4O4/c20-14(17-4-3-11-6-16-8-19-11)7-18-15(21)10-1-2-12-13(5-10)23-9-22-12/h1-2,5-6,8H,3-4,7,9H2,(H,16,19)(H,17,20)(H,18,21)	C15H16N4O4	316.312	8	3	105.34	3	8	0	-2.4709	0.214380000000001	2.23	0.147	37.8409	85.7144	2.2293	269.819588715712
Cond-007224	NPD7254	NPD7254	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9252542647	Cc1coc2c1cc1c(oc(=O)c(CC(=O)/N=c\3/[nH]c4c(s3)cccc4)c1C)c2	InChI=1S/C22H16N2O4S/c1-11-10-27-17-9-18-14(7-13(11)17)12(2)15(21(26)28-18)8-20(25)24-22-23-16-5-3-4-6-19(16)29-22/h3-7,9-10H,8H2,1-2H3,(H,23,24,25)	C22H16N2O4S	404.438	6	1	106.2	5	3	0	1.0129	5.87628	3.11	4.393	52.5773	117.4257	2.7903	341.248232533246
Cond-007225	NPD7255	NPD7255	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1336167465	CC(=C)COc1ccc2c(oc(=O)c(CCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2C)c1	InChI=1S/C26H36N2O4/c1-16(2)15-31-19-8-9-20-17(3)21(24(30)32-22(20)12-19)10-11-23(29)27-18-13-25(4,5)28-26(6,7)14-18/h8-9,12,18,28H,1,10-11,13-15H2,2-7H3,(H,27,29)	C26H36N2O4	440.575	6	2	76.66	3	8	0	2.3299	5.01776000000001	3.66	3.831	100.4263	130.6444	3.5796	448.981899183914
Cond-007226	NPD7256	NPD7256	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6825055158	CSCCC(NC(=O)N1CC(=Nc2ccccc12)O)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C24H27N5O3S/c1-33-13-11-20(23(31)25-12-10-16-14-26-18-7-3-2-6-17(16)18)28-24(32)29-15-22(30)27-19-8-4-5-9-21(19)29/h2-9,14,20,26H,10-13,15H2,1H3,(H,25,31)(H,27,30)(H,28,32)	C24H27N5O3S	465.568	8	4	135.12	4	11	1	-1.4397	3.71216	3.11	4.075	67.3233	139.4092	3.4644	415.033173110519
Cond-007227	NPD7257	NPD7257	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5595436689	COc1c2c(C)c(CCC(=O)/N=c\3/[nH]c(C)cs3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C23H26N2O5S/c1-12-11-31-22(24-12)25-18(26)7-6-14-13(2)19-17(28-5)10-16-15(20(19)29-21(14)27)8-9-23(3,4)30-16/h10-11H,6-9H2,1-5H3,(H,24,25,26)	C23H26N2O5S	442.528	7	1	111.52	4	5	0	1.2331	5.41115000000001	3.11	4.193	96.9621	128.3207	3.2275	409.400278662875
Cond-007228	NPD7258	NPD7258	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4743582845	COc1c2c(C)c(CCC(=O)Nc3cccc(c3)C(C)O)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C27H31NO6/c1-15-19(9-10-23(30)28-18-8-6-7-17(13-18)16(2)29)26(31)33-25-20-11-12-27(3,4)34-21(20)14-22(32-5)24(15)25/h6-8,13-14,16,29H,9-12H2,1-5H3,(H,28,30)	C27H31NO6	465.538	7	2	94.09	4	7	0	0.336699999999999	6.27525000000001	3.66	3.854	80.4096	134.9585	3.5435	444.332200900336
Cond-007229	NPD726	NPD726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6115442687	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(=O)c1ccc(F)cc1	InChI=1S/C24H17FO4/c1-15-22(28-14-21(26)17-7-9-18(25)10-8-17)12-11-19-20(13-23(27)29-24(15)19)16-5-3-2-4-6-16/h2-13H,14H2,1H3	C24H17FO4	388.388	4	0	52.6	4	5	1	0.5764	5.57359	3.55	7.112	33.2168	112.0325	2.7923	351.125216161353
Cond-007230	NPD7260	NPD7260	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6733573696	CCN1CCCC1CNC(=O)CCc1c(C)c2c(OC)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C26H36N2O5/c1-6-28-13-7-8-17(28)15-27-22(29)10-9-18-16(2)23-21(31-5)14-20-19(24(23)32-25(18)30)11-12-26(3,4)33-20/h14,17H,6-13,15H2,1-5H3,(H,27,29)	C26H36N2O5	456.574	7	1	77.1	4	8	0	0.558800000000001	4.92476000000001	3.55	2.901	100.0824	133.0667	3.5727	448.052125884475
Cond-007231	NPD7261	NPD7261	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5048162299	CN(C1CCS(=O)(=O)C1)C(=O)COc1c2c3c(CCC3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C24H29NO7S/c1-24(2)9-7-17-18(32-24)11-19(21-15-5-4-6-16(15)23(27)31-22(17)21)30-12-20(26)25(3)14-8-10-33(28,29)13-14/h11,14H,4-10,12-13H2,1-3H3	C24H29NO7S	475.555	8	0	107.59	5	5	0	-1.0485	4.80456000000001	3.11	2.19	95.2116	127.547	3.3634	426.196415182497
Cond-007232	NPD7262	NPD7262	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7280848087	CC1(C)CCc2c3oc(=O)c4c(CCC4)c3c(OCC(=O)NCCNC(=O)c3ccncc3)cc2O1	InChI=1S/C27H29N3O6/c1-27(2)9-6-19-20(36-27)14-21(23-17-4-3-5-18(17)26(33)35-24(19)23)34-15-22(31)29-12-13-30-25(32)16-7-10-28-11-8-16/h7-8,10-11,14H,3-6,9,12-13,15H2,1-2H3,(H,29,31)(H,30,32)	C27H29N3O6	491.536	9	2	115.85	5	9	0	-1.022	4.01946000000001	3.44	2.33	82.0053	137.2539	3.5915	451.332803915069
Cond-007233	NPD7263	NPD7263	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.641069795	COc1c2c(C)c(CCC(=O)NCCNC(=O)c3ccncc3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C27H31N3O6/c1-16-18(5-6-22(31)29-13-14-30-25(32)17-8-11-28-12-9-17)26(33)35-24-19-7-10-27(2,3)36-20(19)15-21(34-4)23(16)24/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3,(H,29,31)(H,30,32)	C27H31N3O6	493.552	9	2	115.85	4	10	0	0.184500000000002	4.26546000000001	3.44	2.299	85.4143	139.3679	3.7001	463.689262615869
Cond-007234	NPD7264	NPD7264	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.505515794	COc1c2c(C)c(CCC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C27H28N2O5/c1-15-18(6-8-23(30)29-17-5-7-20-16(13-17)10-12-28-20)26(31)33-25-19-9-11-27(2,3)34-21(19)14-22(32-4)24(15)25/h5,7,10,12-14,28H,6,8-9,11H2,1-4H3,(H,29,30)	C27H28N2O5	460.522	7	2	89.65	5	6	0	0.375699999999998	6.56245000000001	3.66	3.857	71.8484	137.3917	3.433	420.645817006341
Cond-007235	NPD7265	NPD7265	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.8730560189	Cc1cs/c(=N/C(=O)CCc2c(C)c3cc4c(oc(C)c4C)cc3oc2=O)/[nH]1	InChI=1S/C21H20N2O4S/c1-10-9-28-21(22-10)23-19(24)6-5-14-12(3)16-7-15-11(2)13(4)26-17(15)8-18(16)27-20(14)25/h7-9H,5-6H2,1-4H3,(H,22,23,24)	C21H20N2O4S	396.459	6	1	106.2	4	4	0	1.4543	4.5812	3	4.257	77.7957	116.1607	2.844	352.48162400978
Cond-007236	NPD7266	NPD7266	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.985954905	[C@H]12CCCCN1C[C@H]1C[C@@H]2C=C2CCCN(C(=O)Cc3c(C)c4c5oc(C)c(C)c5c(C)cc4oc3=O)[C@@H]12	InChI=1S/C32H38N2O4/c1-17-12-26-29(31-28(17)18(2)20(4)37-31)19(3)24(32(36)38-26)15-27(35)34-11-7-8-21-13-22-14-23(30(21)34)16-33-10-6-5-9-25(22)33/h12-13,22-23,25,30H,5-11,14-16H2,1-4H3/t22-,23+,25+,30+/m0/s1	C32H38N2O4	514.655	6	0	62.99	7	3	0	0.176899999999999	5.48002000000001	4.32	3.926	109.9304	150.008	3.9476	489.795513435114
Cond-007237	NPD7267	NPD7267	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7189366625	Cc1c(C)c2c(C)cc3oc(=O)c(CC(=O)NC4CS(=O)(=O)C=C4)c(C)c3c2o1	InChI=1S/C21H21NO6S/c1-10-7-16-19(20-18(10)11(2)13(4)27-20)12(3)15(21(24)28-16)8-17(23)22-14-5-6-29(25,26)9-14/h5-7,14H,8-9H2,1-4H3,(H,22,23)	C21H21NO6S	415.46	7	1	111.06	4	4	0	1.0797	3.56612	2.89	2.351	76.3307	111.2827	2.9046	361.701775903535
Cond-007238	NPD7268	NPD7268	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.6738416833	CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3nc(no3)c3ccccc3)cc2O1	InChI=1S/C23H23N3O6/c1-23(2)12-17(28)21-16(27)10-15(11-18(21)31-23)30-13-19(29)24-9-8-20-25-22(26-32-20)14-6-4-3-5-7-14/h3-7,10-11,27H,8-9,12-13H2,1-2H3,(H,24,29)	C23H23N3O6	437.445	9	2	123.78	4	8	0	-1.6705	4.48256	3	3.497	50.7124	123.3522	3.1365	383.605324112402
Cond-007239	NPD7269	NPD7269	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.2568476565	CC1(C)CC(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2O1	InChI=1S/C26H30N2O4/c1-26(2)18-23(29)22-11-10-21(17-24(22)32-26)31-19-25(30)28-15-13-27(14-16-28)12-6-9-20-7-4-3-5-8-20/h3-11,17H,12-16,18-19H2,1-2H3/b9-6+	C26H30N2O4	434.527	6	0	59.08	4	7	1	-0.240700000000002	3.45248000000001	3.66	5.171	75.6825	126.047	3.385	420.452523081514
Cond-007240	NPD727	NPD727	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4995891934	Cc1c2c(coc2c2c(oc(=O)c(Cc3ccccc3)c2C)c1)c1ccc(Cl)cc1	InChI=1S/C26H19ClO3/c1-15-12-22-24(16(2)20(26(28)30-22)13-17-6-4-3-5-7-17)25-23(15)21(14-29-25)18-8-10-19(27)11-9-18/h3-12,14H,13H2,1-2H3	C26H19ClO3	414.88	3	0	39.44	5	3	1	2.3159	7.31679	3.88	8.131	37.01	123.801	3.0115	362.814008931852
Cond-007241	NPD7270	NPD7270	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.827046225	O=C(COc1ccc2C(=O)CC3(CCCCC3)Oc2c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C27H30N2O5/c30-23-13-27(9-2-1-3-10-27)34-24-12-20(7-8-21(23)24)33-17-26(32)28-14-18-11-19(16-28)22-5-4-6-25(31)29(22)15-18/h4-8,12,18-19H,1-3,9-11,13-17H2/t18-,19+/m0/s1	C27H30N2O5	462.538	7	0	76.15	6	4	0	-2.7792	4.08116000000001	3.66	2.091	97.0172	129.2055	3.4104	435.362275707142
Cond-007242	NPD7272	NPD7272	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1855997417	CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCc3cccs3)cc1O2	InChI=1S/C22H24N2O5S/c1-15(25)24-8-6-22(7-9-24)12-19(26)18-5-4-16(11-20(18)29-22)28-14-21(27)23-13-17-3-2-10-30-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,27)	C22H24N2O5S	428.501	7	1	113.18	4	7	0	-2.2342	2.69708	3	1.979	68.0591	113.2632	3.0866	381.204294037008
Cond-007243	NPD7273	NPD7273	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.532314481	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C28H25NO6/c1-32-25-12-19-10-11-29(16-20(19)13-26(25)33-2)27(30)17-34-21-8-9-22-23(18-6-4-3-5-7-18)15-28(31)35-24(22)14-21/h3-9,12-15H,10-11,16-17H2,1-2H3	C28H25NO6	471.501	7	0	74.3	5	7	1	-0.741100000000001	4.23067000000001	3.77	5.819	57.4455	133.246	3.4468	430.462350723002
Cond-007244	NPD7274	NPD7274	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7720497229	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1c2c(C)cc(=O)oc2cc(C)c1	InChI=1S/C24H25NO6/c1-14-7-20(24-15(2)9-23(27)31-21(24)8-14)30-13-22(26)25-6-5-16-10-18(28-3)19(29-4)11-17(16)12-25/h7-11H,5-6,12-13H2,1-4H3	C24H25NO6	423.458	7	0	74.3	4	6	0	0.5429	3.23029	3.33	2.974	68.4497	117.016	3.1208	392.444247022736
Cond-007245	NPD7275	NPD7275	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2788032072	CCCCN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)/C1=O	InChI=1S/C19H23N3O2S2/c1-2-3-7-21-18(24)16(26-19(21)25)12-20-9-13-8-14(11-20)15-5-4-6-17(23)22(15)10-13/h4-6,12-14H,2-3,7-11H2,1H3/b16-12-/t13-,14+/m1/s1	C19H23N3O2S2	389.535	5	0	101.25	4	4	0	-0.517800000000001	2.73466	2.78	1.84	108.3275	109.432	2.8371	359.524361725091
Cond-007246	NPD7276	NPD7276	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7908303288	COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccc(cc3)C(=O)C)ccc2c1=O	InChI=1S/C27H23NO7/c1-16(29)18-8-10-19(11-9-18)28-25(30)15-33-20-12-13-21-24(14-20)34-17(2)27(26(21)31)35-23-7-5-4-6-22(23)32-3/h4-14H,15H2,1-3H3,(H,28,30)	C27H23NO7	473.474	8	1	100.16	4	9	1	-1.8547	6.56265	3.55	5.033	54.9995	135.6317	3.4302	431.676592797697
Cond-007247	NPD7277	NPD7277	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3218533068	COc1cc(CN2COc3ccc4c(=O)c(coc4c3C2)c2ccccc2)ccc1	InChI=1S/C25H21NO4/c1-28-19-9-5-6-17(12-19)13-26-14-21-23(30-16-26)11-10-20-24(27)22(15-29-25(20)21)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3	C25H21NO4	399.439	5	0	48	5	4	1	-0.8307	4.32568	3.66	6.312	40.7965	116.33	2.9497	363.63040214508
Cond-007248	NPD7278	NPD7278	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.1774202228	COc1ccc(cc1)c1c(C)oc2c3CN(COc3ccc2c1=O)c1noc(C)c1	InChI=1S/C23H20N2O5/c1-13-10-20(24-30-13)25-11-18-19(28-12-25)9-8-17-22(26)21(14(2)29-23(17)18)15-4-6-16(27-3)7-5-15/h4-10H,11-12H2,1-3H3	C23H20N2O5	404.415	7	0	74.03	5	3	0	-0.0432	4.58359	3.22	4.324	49.2544	115.193	2.8694	351.461878502874
Cond-007249	NPD7279	NPD7279	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.0759296131	COc1ccc(cc1)c1coc2c3CN(COc3ccc2c1=O)c1ccc(CCO)cc1	InChI=1S/C26H23NO5/c1-30-20-8-4-18(5-9-20)23-15-31-26-21(25(23)29)10-11-24-22(26)14-27(16-32-24)19-6-2-17(3-7-19)12-13-28/h2-11,15,28H,12-14,16H2,1H3	C26H23NO5	429.465	6	1	68.23	5	5	0	-1.0354	4.73147000000001	3.66	4.652	47.8129	125.2358	3.1493	389.716613471508
Cond-007250	NPD728	NPD728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5818915373	CCCc1c(C)c2cc3c(occ3c3ccc(Cl)cc3)cc2oc1=O	InChI=1S/C21H17ClO3/c1-3-4-15-12(2)16-9-17-18(13-5-7-14(22)8-6-13)11-24-19(17)10-20(16)25-21(15)23/h5-11H,3-4H2,1-2H3	C21H17ClO3	352.811	3	0	39.44	4	3	1	1.0434	6.84617	3.33	5.47	40.5826	104.923	2.5446	307.499920605718
Cond-007251	NPD7280	NPD7280	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.4480977237	Cc1coc2c1cc1c(C)c/c(=N\O)/oc1c2	InChI=1S/C13H11NO3/c1-7-3-13(14-15)17-12-5-11-10(4-9(7)12)8(2)6-16-11/h3-6,15H,1-2H3/b14-13+	C13H11NO3	229.231	4	1	54.96	3	0	0	1.2462	3.73289	2.45	2.551	31.4733	66.7727	1.6324	196.083570839717
Cond-007252	NPD7281	NPD7281	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	32.5135876877	Cc1c(C)c2c(o1)cc1o/c(=N/O)/c3c(cccc3)c1c2	InChI=1S/C17H13NO3/c1-9-10(2)20-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18-19)21-16/h3-8,19H,1-2H3/b18-17+	C17H13NO3	279.29	4	1	54.96	4	0	0	0.8782	4.58462	2.89	4.978	22.6803	85.6747	2.0014	236.738133240784
Cond-007253	NPD7282	NPD7282	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4363665716	CC(=O)Oc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C15H16N2O3/c1-10(18)20-11-6-7-13-12(9-11)15(19)17-8-4-2-3-5-14(17)16-13/h6-7,9H,2-5,8H2,1H3	C15H16N2O3	272.299	5	0	58.97	3	2	0	-1.4989	3.30407	2.56	2.219	43.3524	80.4695	2.014	252.572300299617
Cond-007254	NPD7284	NPD7284	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5567992251	OC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C15H16N2O4/c18-14(19)9-21-10-5-6-12-11(8-10)15(20)17-7-3-1-2-4-13(17)16-12/h5-6,8H,1-4,7,9H2,(H,18,19)	C15H16N2O4	288.299	6	1	79.2	3	3	0	-2.0134	2.84217	2.45	1.38	45.0367	82.2913	2.0727	261.362527000178
Cond-007255	NPD7285	NPD7285	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4303933703	COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(NC=O)c(O)cc2)cc1	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	C19H24N2O4	344.405	6	4	90.82	2	9	0	-2.072	2.71618	2.89	2.552	46.811	99.6240000000001	2.7019	329.366465503646
Cond-007256	NPD7286	NPD7286	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7917451434	[C@H]12CCCCN1C[C@H]1C[C@H]2C=C2CCCN(C(=O)Nc3ccccc3)[C@@H]12	InChI=1S/C22H29N3O/c26-22(23-19-8-2-1-3-9-19)25-12-6-7-16-13-17-14-18(21(16)25)15-24-11-5-4-10-20(17)24/h1-3,8-9,13,17-18,20-21H,4-7,10-12,14-15H2,(H,23,26)/t17-,18-,20-,21-/m1/s1	C22H29N3O	351.485	4	1	35.58	5	3	0	-2.0477	4.23777	3.44	3.519	69.8543	106.9077	2.8085	344.98404078693
Cond-007257	NPD7287	NPD7287	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.4792014207	[C@H]12CCCCN1C[C@H]1C[C@H]2C=C2CCCN(C(=O)Nc3ccc(Cl)cc3)[C@@H]12	InChI=1S/C22H28ClN3O/c23-18-6-8-19(9-7-18)24-22(27)26-11-3-4-15-12-16-13-17(21(15)26)14-25-10-2-1-5-20(16)25/h6-9,12,16-17,20-21H,1-5,10-11,13-14H2,(H,24,27)/t16-,17-,20-,21-/m1/s1	C22H28ClN3O	385.93	4	1	35.58	5	3	0	-1.3034	4.89117000000001	3.33	3.404	75.4699	111.9177	2.9309	360.195108557363
Cond-007258	NPD7288	NPD7288	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.7610719475	CCOC(=O)C(=O)Nc1c(cccc1)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C21H21N3O4/c1-2-28-21(27)20(26)24-18-10-6-4-8-16(18)19(25)22-12-11-14-13-23-17-9-5-3-7-15(14)17/h3-10,13,23H,2,11-12H2,1H3,(H,22,25)(H,24,26)	C21H21N3O4	379.409	7	3	100.29	3	10	0	-1.1612	3.39927	3	4.132	43.6292	110.9999	2.8459	343.789360160346
Cond-007259	NPD7289	NPD7289	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.7411612764	COc1c2c(C)c(CC(=O)Nc3cc4c(OCCO4)cc3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H27NO7/c1-14-17(12-22(28)27-15-5-6-18-20(11-15)32-10-9-31-18)25(29)33-24-16-7-8-26(2,3)34-19(16)13-21(30-4)23(14)24/h5-6,11,13H,7-10,12H2,1-4H3,(H,27,28)	C26H27NO7	465.495	8	1	92.32	5	5	0	0.4487	6.44494000000001	3.44	3.147	76.3456	133.5367	3.3527	423.46998427423
Cond-007260	NPD729	NPD729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4481225764	CC(C)c1cc(Cc2cc(cc(C(=O)O)c2O)C(C)C)c(O)c(c1)C(=O)O	InChI=1S/C21H24O6/c1-10(2)12-5-14(18(22)16(8-12)20(24)25)7-15-6-13(11(3)4)9-17(19(15)23)21(26)27/h5-6,8-11,22-23H,7H2,1-4H3,(H,24,25)(H,26,27)	C21H24O6	372.412	6	4	115.06	2	6	1	0.2018	4.16730000000001	3.11	6.3	52.7044	103.3827	2.8585	356.908909039369
Cond-007261	NPD7290	NPD7290	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.0344938923	CCOC(=O)c1cc(NC(=O)Cc2c(C)c3c(OC)cc4OC(C)(C)CCc4c3oc2=O)ccc1	InChI=1S/C27H29NO7/c1-6-33-25(30)16-8-7-9-17(12-16)28-22(29)13-19-15(2)23-21(32-5)14-20-18(24(23)34-26(19)31)10-11-27(3,4)35-20/h7-9,12,14H,6,10-11,13H2,1-5H3,(H,28,29)	C27H29NO7	479.522	8	1	100.16	4	8	0	0.9953	6.34965000000001	3.55	4.226	79.9652	136.4422	3.5592	450.485968900097
Cond-007262	NPD7291	NPD7291	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.8836032933	COc1c2c(C)c(CC(=O)Nc3cccc(c3)C(=O)C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H27NO6/c1-14-19(12-22(29)27-17-8-6-7-16(11-17)15(2)28)25(30)32-24-18-9-10-26(3,4)33-20(18)13-21(31-5)23(14)24/h6-8,11,13H,9-10,12H2,1-5H3,(H,27,29)	C26H27NO6	449.496	7	1	90.93	4	6	0	0.479799999999996	6.37555000000001	3.55	3.747	74.4534	130.4902	3.3596	424.399757573669
Cond-007263	NPD7292	NPD7292	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.2982833773	COc1c2c(C)c(CC(=O)Nc3ccc4OCOc4c3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C25H25NO7/c1-13-16(10-21(27)26-14-5-6-17-19(9-14)31-12-30-17)24(28)32-23-15-7-8-25(2,3)33-18(15)11-20(29-4)22(13)23/h5-6,9,11H,7-8,10,12H2,1-4H3,(H,26,27)	C25H25NO7	451.468	8	1	92.32	5	5	0	0.430999999999998	6.40244	3.33	3.284	71.1551	128.6697	3.2118	406.173999648363
Cond-007264	NPD7293	NPD7293	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.6860033364	COc1cc(NC(=O)Cc2c(C)c3c(OC)cc4OC(C)(C)CCc4c3oc2=O)cc(OC)c1OC	InChI=1S/C27H31NO8/c1-14-17(12-22(29)28-15-10-20(32-5)25(34-7)21(11-15)33-6)26(30)35-24-16-8-9-27(2,3)36-18(16)13-19(31-4)23(14)24/h10-11,13H,8-9,12H2,1-7H3,(H,28,29)	C27H31NO8	497.537	9	1	101.55	4	8	0	0.578299999999998	6.19875000000001	3.44	2.913	85.6304	140.1417	3.6609	461.912654301458
Cond-007265	NPD7294	NPD7294	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.2635204219	Clc1ccc2[nH]cc(CCNC(=O)Cc3c[nH]c4c3cccc4)c2c1	InChI=1S/C20H18ClN3O/c21-15-5-6-19-17(10-15)13(11-23-19)7-8-22-20(25)9-14-12-24-18-4-2-1-3-16(14)18/h1-6,10-12,23-24H,7-9H2,(H,22,25)	C20H18ClN3O	351.829	4	3	60.68	4	6	0	-0.4293	4.28447	3.11	3.641	33.3703	108.2147	2.5857	294.713763203229
Cond-007266	NPD7296	NPD7296	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.07135554	COc1c2c(C)c(CC(=O)Nc3cccc(NC(=O)C)c3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H28N2O6/c1-14-19(12-22(30)28-17-8-6-7-16(11-17)27-15(2)29)25(31)33-24-18-9-10-26(3,4)34-20(18)13-21(32-5)23(14)24/h6-8,11,13H,9-10,12H2,1-5H3,(H,27,29)(H,28,30)	C26H28N2O6	464.51	8	2	102.96	4	7	0	0.1088	6.13135000000001	3.44	3.491	76.5489	134.7894	3.4594	435.396517781836
Cond-007267	NPD7297	NPD7297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.8460420815	COc1c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C27H25NO7/c1-14-18(12-22(29)28-16-6-7-19-15(11-16)5-8-23(30)33-19)26(31)34-25-17-9-10-27(2,3)35-20(17)13-21(32-4)24(14)25/h5-8,11,13H,9-10,12H2,1-4H3,(H,28,29)	C27H25NO7	475.49	8	1	100.16	5	5	0	1.0037	6.00585000000001	3.55	3.944	80.2182	136.9727	3.4076	435.493051498497
Cond-007268	NPD7298	NPD7298	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.0999838562	COc1c2c(C)c(CCC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C28H27NO7/c1-15-18(7-9-23(30)29-17-6-8-20-16(13-17)5-10-24(31)34-20)27(32)35-26-19-11-12-28(2,3)36-21(19)14-22(33-4)25(15)26/h5-6,8,10,13-14H,7,9,11-12H2,1-4H3,(H,29,30)	C28H27NO7	489.516	8	1	100.16	5	6	0	1.0661	6.39595000000001	3.66	4.113	85.0836	141.5897	3.5485	452.789036124364
Cond-007269	NPD7299	NPD7299	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4267341118	COc1ccc2c(C)c(CC(=O)N[C@H](CO)CCSC)c(=O)oc2c1OC	InChI=1S/C19H25NO6S/c1-11-13-5-6-15(24-2)18(25-3)17(13)26-19(23)14(11)9-16(22)20-12(10-21)7-8-27-4/h5-6,12,21H,7-10H2,1-4H3,(H,20,22)/t12-/m0/s1	C19H25NO6S	395.47	7	2	119.39	2	10	0	-0.158699999999999	2.56857	2.67	1.563	78.0832	108.6495	2.926	367.995641455002
Cond-007270	NPD73	NPD73	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	35.9702970297	CCCCc1cc2c(occ(c3cc4c(o3)cccc4)c2=O)cc1OCC(=O)OC	InChI=1S/C24H22O6/c1-3-4-7-15-10-17-21(12-20(15)29-14-23(25)27-2)28-13-18(24(17)26)22-11-16-8-5-6-9-19(16)30-22/h5-6,8-13H,3-4,7,14H2,1-2H3	C24H22O6	406.428	6	0	74.97	4	8	1	-1.6278	5.92225000000001	3.44	5.717	51.6812	120.1805	2.978	367.911028113769
Cond-007271	NPD730	NPD730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.647122267	CC(=O)N[C@H]1[C@H](Oc2ccc3c(=O)c(c(C)oc3c2)c2ccccc2)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C30H31NO11/c1-15-25(20-9-7-6-8-10-20)27(36)22-12-11-21(13-23(22)38-15)41-30-26(31-16(2)32)29(40-19(5)35)28(39-18(4)34)24(42-30)14-37-17(3)33/h6-13,24,26,28-30H,14H2,1-5H3,(H,31,32)/t24-,26-,28-,29-,30-/m1/s1	C30H31NO11	581.567	12	1	152.76	4	12	1	-1.3875	3.27977000000001	3.44	4.763	93.8575	149.3132	4.13070000000001	532.261912178341
Cond-007272	NPD7300	NPD7300	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9190658128	COc1c2[nH]c(cc2c(OC)cc1)C(=O)NCCC(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C24H26N4O4/c1-31-20-7-8-21(32-2)23-17(20)13-19(28-23)24(30)26-12-10-22(29)25-11-9-15-14-27-18-6-4-3-5-16(15)18/h3-8,13-14,27-28H,9-12H2,1-2H3,(H,25,29)(H,26,30)	C24H26N4O4	434.488	8	4	108.24	4	11	1	-1.9004	3.05577	3.22	2.383	54.54	130.3534	3.2598	383.417615545313
Cond-007273	NPD7301	NPD7301	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0383684012	COc1c2cc(n(C)c2c(OC)cc1)C(=O)NCCC(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C25H28N4O4/c1-29-20(14-18-21(32-2)8-9-22(33-3)24(18)29)25(31)27-13-11-23(30)26-12-10-16-15-28-19-7-5-4-6-17(16)19/h4-9,14-15,28H,10-13H2,1-3H3,(H,26,30)(H,27,31)	C25H28N4O4	448.514	8	3	97.38	4	11	1	-1.3645	3.95326000000001	3.33	2.622	59.8347	135.5824	3.4007	400.71360017118
Cond-007274	NPD7302	NPD7302	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9934886724	COc1c2cc(n(C)c2c(OC)cc1)C(=O)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C25H28N4O4/c1-15(24(30)26-12-11-16-14-27-19-8-6-5-7-17(16)19)28-25(31)20-13-18-21(32-3)9-10-22(33-4)23(18)29(20)2/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,30)(H,28,31)/t15-/m0/s1	C25H28N4O4	448.514	8	3	97.38	4	10	0	-1.5167	3.95166000000001	3.33	2.99	59.7948	135.5604	3.4007	400.71360017118
Cond-007275	NPD7303	NPD7303	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9621159124	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1ccc2ccc(=O)oc2c1	InChI=1S/C22H21NO6/c1-26-19-9-15-7-8-23(12-16(15)10-20(19)27-2)21(24)13-28-17-5-3-14-4-6-22(25)29-18(14)11-17/h3-6,9-11H,7-8,12-13H2,1-2H3	C22H21NO6	395.405	7	0	74.3	4	6	0	-0.545500000000001	2.81217	3.11	2.589	58.6656	108.759	2.839	357.852277771002
Cond-007276	NPD7304	NPD7304	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6419846096	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C23H23NO6/c1-14-8-23(26)30-19-11-17(4-5-18(14)19)29-13-22(25)24-7-6-15-9-20(27-2)21(28-3)10-16(15)12-24/h4-5,8-11H,6-7,12-13H2,1-3H3	C23H23NO6	409.432	7	0	74.3	4	6	0	-0.0991000000000032	3.20227	3.22	2.651	62.9476	113.376	2.9799	375.148262396869
Cond-007277	NPD7305	NPD7305	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8157993865	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1ccc2c(C)cc(=O)oc2c1C	InChI=1S/C24H25NO6/c1-14-9-23(27)31-24-15(2)19(6-5-18(14)24)30-13-22(26)25-8-7-16-10-20(28-3)21(29-4)11-17(16)12-25/h5-6,9-11H,7-8,12-13H2,1-4H3	C24H25NO6	423.458	7	0	74.3	4	6	0	0.5429	3.78579	3.33	2.763	68.4497	119.343	3.1208	392.444247022736
Cond-007278	NPD7306	NPD7306	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8659527525	COc1c(OC)cc2CN(CCc2c1)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C25H27NO6/c1-14-15(2)25(28)32-24-16(3)20(7-6-19(14)24)31-13-23(27)26-9-8-17-10-21(29-4)22(30-5)11-18(17)12-26/h6-7,10-11H,8-9,12-13H2,1-5H3	C25H27NO6	437.485	7	0	74.3	4	6	0	1.096	4.17589000000001	3.44	2.944	72.8068	123.96	3.2617	409.740231648602
Cond-007279	NPD7308	NPD7308	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.486035624	COc1ccc2c(oc(=O)c(CCC(=O)N3CCNC(=O)C3)c2C)c1	InChI=1S/C18H20N2O5/c1-11-13-4-3-12(24-2)9-15(13)25-18(23)14(11)5-6-17(22)20-8-7-19-16(21)10-20/h3-4,9H,5-8,10H2,1-2H3,(H,19,21)	C18H20N2O5	344.362	7	1	84.94	3	5	0	-0.775299999999998	1.67827	2.67	0.558	65.272	94.2887	2.5111	319.40424887754
Cond-007280	NPD7309	NPD7309	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.5108432438	C=Cc1ccc(COc2ccc3nc4CCCCCn4c(=O)c3c2)cc1	InChI=1S/C22H22N2O2/c1-2-16-7-9-17(10-8-16)15-26-18-11-12-20-19(14-18)22(25)24-13-5-3-4-6-21(24)23-20/h2,7-12,14H,1,3-6,13,15H2	C22H22N2O2	346.422	4	0	41.9	4	4	1	-0.8527	4.31227000000001	3.44	5.798	48.1148	105.925	2.704	333.688131176924
Cond-007281	NPD731	NPD731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0802858135	CC(=CCC/C(=C/COc1c(Cl)cc2c(oc(=O)cc2c2ccccc2)c1)/C)C	InChI=1S/C25H25ClO3/c1-17(2)8-7-9-18(3)12-13-28-24-16-23-21(14-22(24)26)20(15-25(27)29-23)19-10-5-4-6-11-19/h4-6,8,10-12,14-16H,7,9,13H2,1-3H3/b18-12+	C25H25ClO3	408.917	3	0	35.53	3	7	1	3.4646	7.16655	3.77	8.4	71.2825	122.227	3.1738	397.303859109185
Cond-007282	NPD7310	NPD7310	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1125760103	COc1ccc(COc2ccc3nc4CCCCCn4c(=O)c3c2)cc1	InChI=1S/C21H22N2O3/c1-25-16-8-6-15(7-9-16)14-26-17-10-11-19-18(13-17)21(24)23-12-4-2-3-5-20(23)22-19/h6-11,13H,2-5,12,14H2,1H3	C21H22N2O3	350.411	5	0	51.13	4	4	0	-1.612	3.86058	3.22	3.829	45.2834	103.448	2.6648	327.818831952419
Cond-007283	NPD7311	NPD7311	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1242533498	COC(=O)c1ccc(COc2ccc3nc4CCCCCn4c(=O)c3c2)cc1	InChI=1S/C22H22N2O4/c1-27-22(26)16-8-6-15(7-9-16)14-28-17-10-11-19-18(13-17)21(25)24-12-4-2-3-5-20(24)23-19/h6-11,13H,2-5,12,14H2,1H3	C22H22N2O4	378.421	6	0	68.2	4	5	0	-1.549	4.13937	3.22	3.831	49.956	110.2965	2.8214	351.268584578046
Cond-007284	NPD7312	NPD7312	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9653446699	COc1ccccc1COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C21H22N2O3/c1-25-19-8-5-4-7-15(19)14-26-16-10-11-18-17(13-16)21(24)23-12-6-2-3-9-20(23)22-18/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3	C21H22N2O3	350.411	5	0	51.13	4	4	0	-1.612	4.41608	3.22	4.04	45.2834	105.775	2.6648	327.818831952419
Cond-007285	NPD7313	NPD7313	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.2429101867	O=c1n2CCCCCc2nc2ccc(OCc3ccccc3)cc12	InChI=1S/C20H20N2O2/c23-20-17-13-16(24-14-15-7-3-1-4-8-15)10-11-18(17)21-19-9-5-2-6-12-22(19)20/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2	C20H20N2O2	320.385	4	0	41.9	4	3	0	-1.5602	3.85198	3.22	4.906	37.9676	96.896	2.4652	301.73262062599
Cond-007286	NPD7314	NPD7314	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8050368616	CCOC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C17H20N2O4/c1-2-22-16(20)11-23-12-7-8-14-13(10-12)17(21)19-9-5-3-4-6-15(19)18-14/h7-8,10H,2-6,9,11H2,1H3	C17H20N2O4	316.352	6	0	68.2	3	5	0	-1.512	3.32067	2.67	2.124	54.0996	91.2885	2.3545	295.954496251912
Cond-007287	NPD7315	NPD7315	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3745358661	CC(C)OC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C18H22N2O4/c1-12(2)24-17(21)11-23-13-7-8-15-14(10-13)18(22)20-9-5-3-4-6-16(20)19-15/h7-8,10,12H,3-6,9,11H2,1-2H3	C18H22N2O4	330.378	6	0	68.2	3	5	0	-1.8125	3.70917	2.78	2.584	59.3044	95.8835	2.4954	313.250480877779
Cond-007288	NPD7316	NPD7316	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.4018188667	CCCCCOc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C18H24N2O2/c1-2-3-7-12-22-14-9-10-16-15(13-14)18(21)20-11-6-4-5-8-17(20)19-16/h9-10,13H,2-8,11-12H2,1H3	C18H24N2O2	300.395	4	0	41.9	3	5	0	-2.3729	4.18148	3	3.917	52.6011	91.8980000000001	2.421	298.306486177457
Cond-007289	NPD7317	NPD7317	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3566700748	O=C(COc1ccc2nc3CCCn3c(=O)c2c1)Nc1ccc2OCOc2c1	InChI=1S/C20H17N3O5/c24-19(21-12-3-6-16-17(8-12)28-11-27-16)10-26-13-4-5-15-14(9-13)20(25)23-7-1-2-18(23)22-15/h3-6,8-9H,1-2,7,10-11H2,(H,21,24)	C20H17N3O5	379.366	8	1	89.46	5	5	0	-2.1351	4.44565	2.78	1.825	46.9078	108.9202	2.5895	324.107143534241
Cond-007290	NPD7318	NPD7318	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2687402465	O=C(COc1ccc2nc3CCCn3c(=O)c2c1)N1C[C@@H]2CC(C1)c1cccc(=O)n1C2	InChI=1S/C24H24N4O4/c29-22-5-1-3-20-16-9-15(12-28(20)22)11-26(13-16)23(30)14-32-17-6-7-19-18(10-17)24(31)27-8-2-4-21(27)25-19/h1,3,5-7,10,15-16H,2,4,8-9,11-14H2/t15-,16?/m0/s1	C24H24N4O4	432.472	8	0	82.52	6	4	0	-2.6001	2.59035	3.22	0.521	91.3746	121.9945	3.0856	394.041156844513
Cond-007291	NPD7320	NPD7320	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.881504601	Cn1c2=NCCCn2c(=O)c2c1cccc2	InChI=1S/C12H13N3O/c1-14-10-6-3-2-5-9(10)11(16)15-8-4-7-13-12(14)15/h2-3,5-6H,4,7-8H2,1H3	C12H13N3O	215.251	4	0	35.91	3	0	0	-0.9797	1.30669	2.34	2.523	33.9871	65.822	1.6167	196.737111929861
Cond-007292	NPD7321	NPD7321	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5325297315	CNCCCNc1cc(=O)oc2ccccc12	InChI=1S/C13H16N2O2/c1-14-7-4-8-15-11-9-13(16)17-12-6-3-2-5-10(11)12/h2-3,5-6,9,14-15H,4,7-8H2,1H3	C13H16N2O2	232.278	4	2	50.36	2	5	0	-1.1801	1.69757	2.45	2.316	40.4956	70.8424	1.8251	224.183021748923
Cond-007293	NPD7322	NPD7322	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0436420384	CCC(=O)O[C@@]1([C@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18+,19+,22+,23+,24+,25+/m1/s1	C25H31F3O5S	500.571	5	1	105.97	4	6	0	1.5125	4.51627	3.22	3.389	120.5553	123.5708	3.4918	459.010780151594
Cond-007294	NPD7323	NPD7323	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.013184093	Nc1nc(=O)n(cc1)C1O[C@H](CO)[C@@H](O)C1(F)F	InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7?/m1/s1	C9H11F2N3O4	263.198	7	4	108.38	2	2	0	-1.9392	-1.57183	1.46	-1.069	51.5282	58.097	1.6001	211.884331956957
Cond-007295	NPD7324	NPD7324	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4830759296	CC(C)(C)[NH3+].[C@H]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)O)[C@H]1CCCC2)C(=O)[O-]	InChI=1S/C17H28N2O5.C4H11N/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24;1-4(2,3)5/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24);5H2,1-3H3/t10-,11-,12-,13-,14-;/m0./s1	C21H39N3O5	413.551	7	2	109.77	2	8	0	-3.8666	0.361290000000001	2.56	1.353	74.3304	88.1765000000001	2.6293	334.592328405274
Cond-007296	NPD7325	NPD7325	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7530538664	Cn1nc(C(=O)N[C@H]2C[C@@H]3CCC[C@@H](C2)N3C)c2c1cccc2	InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t13-,14-/m0/s1	C18H24N4O	312.409	5	1	50.16	4	3	0	-1.995	2.69198	2.89	2.574	49.3826	94.4547000000001	2.4533	288.253321192429
Cond-007297	NPD7326	NPD7326	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.2900500457	[C@@H]12CCC3C4CC[C@](C)(O)[C@@]4(C)CCC3[C@@]1(C)C/C(=C\O)/C(=O)C2	InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15?,16?,17?,19-,20-,21-/m0/s1	C21H32O3	332.477	3	2	57.53	4	0	1	0.760399999999999	4.56108000000001	3.44	5.119	91.8353	96.4256000000001	2.7232	343.444063740885
Cond-007298	NPD7327	NPD7327	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7468654146	[Na+].[Na+].[C@H](CCC(=O)[O-])(NC(=O)c1ccc(CCc2c[nH]c3c2c(=O)[nH]c(N)n3)cc1)C(=O)[O-]	InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m1../s1	C20H19N5Na2O6	471.374	11	5	192.63	3	10	1	-3.7689	-3.11363	2.45	-1.946	57.2801	109.4248	2.979	374.330890651135
Cond-007299	NPD7328	NPD7328	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.4336221278	C[C@H]1OC([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O	InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8?/m1/s1	C9H11FN2O5	246.192	7	3	99.1	2	1	0	-1.937	-1.02422	1.57	-1.298	50.5904	53.8903	1.5413	203.610239599046
Cond-007300	NPD7329	NPD7329	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8597643007	CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl	InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3	C22H28ClFO4	410.907	4	2	74.6	4	2	0	0.260600000000001	3.22847	3.22	1.983	104.3463	106.2816	2.9769	385.535984286453
Cond-007301	NPD733	NPD733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.649953575	CCCCCCc1c(C)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)c(C)c2oc1=O	InChI=1S/C27H34O6/c1-7-8-9-10-11-21-17(2)20-12-13-22(18(3)25(20)33-27(21)28)32-16-19-14-23(29-4)26(31-6)24(15-19)30-5/h12-15H,7-11,16H2,1-6H3	C27H34O6	454.555	6	0	63.22	3	11	2	-0.0667000000000022	6.75029000000001	3.77	6.089	75.8635	133.313	3.5953	448.328358093769
Cond-007302	NPD7330	NPD7330	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.7083893882	CCCCCCCCCCC[C@@H](C[C@@H]1OC[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	InChI=1S/C29H55NO4/c1-5-7-9-11-12-13-14-15-17-19-26(34-29(32)27(30-23-31)20-24(3)4)21-28-25(22-33-28)18-16-10-8-6-2/h23-28H,5-22H2,1-4H3,(H,30,31)/t25-,26+,27+,28+/m1/s1	C29H55NO4	481.751	5	1	64.63	1	24	2	-4.63460000000001	7.58919000000001	4.1	10.572	112.9811	144.0157	4.3347	538.668303758948
Cond-007303	NPD7332	NPD7332	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3969757305	COc1c2c(C)c(CC(=O)Nc3c(C)cccc3C(C)C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C28H33NO5/c1-15(2)18-10-8-9-16(3)25(18)29-23(30)13-20-17(4)24-22(32-7)14-21-19(26(24)33-27(20)31)11-12-28(5,6)34-21/h8-10,14-15H,11-13H2,1-7H3,(H,29,30)	C28H33NO5	463.565	6	1	73.86	4	6	1	1.9486	7.37908000000001	3.88	5.757	83.4529	138.4807	3.6257	452.837958825642
Cond-007304	NPD7333	NPD7333	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9108324813	COc1c2c(C)c(CC(=O)Nc3cc(C)ccc3C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H29NO5/c1-14-7-8-15(2)19(11-14)27-22(28)12-18-16(3)23-21(30-6)13-20-17(24(23)31-25(18)29)9-10-26(4,5)32-20/h7-8,11,13H,9-10,12H2,1-6H3,(H,27,28)	C26H29NO5	435.512	6	1	73.86	4	5	0	2.0177	6.28370000000001	3.66	4.891	74.6872	128.0317	3.3439	418.245989573908
Cond-007305	NPD7334	NPD7334	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6932680407	COc1c2c(C)c(CC(=O)Nc3ccc(cc3)C(=O)C)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H27NO6/c1-14-19(12-22(29)27-17-8-6-16(7-9-17)15(2)28)25(30)32-24-18-10-11-26(3,4)33-20(18)13-21(31-5)23(14)24/h6-9,13H,10-12H2,1-5H3,(H,27,29)	C26H27NO6	449.496	7	1	90.93	4	6	0	0.479799999999996	6.37555000000001	3.55	3.747	74.4534	130.4902	3.3596	424.399757573669
Cond-007306	NPD7335	NPD7335	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3287413227	COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc4OC(C)(C)CCc4c3oc2=O)c(OC)c1	InChI=1S/C26H29NO7/c1-14-17(12-22(28)27-18-8-7-15(30-4)11-20(18)31-5)25(29)33-24-16-9-10-26(2,3)34-19(16)13-21(32-6)23(14)24/h7-8,11,13H,9-10,12H2,1-6H3,(H,27,28)	C26H29NO7	467.511	8	1	92.32	4	7	0	0.630099999999998	6.19015000000001	3.44	3.357	78.3146	133.5897	3.4613	435.82644297503
Cond-007307	NPD7336	NPD7336	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3926169079	COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc4OC(C)(C)CCc4c3oc2=O)cc1	InChI=1S/C25H27NO6/c1-14-18(12-21(27)26-15-6-8-16(29-4)9-7-15)24(28)31-23-17-10-11-25(2,3)32-19(17)13-20(30-5)22(14)23/h6-9,13H,10-12H2,1-5H3,(H,26,27)	C25H27NO6	437.485	7	1	83.09	4	6	0	0.681899999999999	6.18155	3.44	3.801	70.9988	127.0377	3.2617	409.740231648602
Cond-007308	NPD7337	NPD7337	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2795027714	COc1ccc(C)cc1NC(=O)Cc1c(C)c2c(OC)cc3OC(C)(C)CCc3c2oc1=O	InChI=1S/C26H29NO6/c1-14-7-8-19(30-5)18(11-14)27-22(28)12-17-15(2)23-21(31-6)13-20-16(24(23)32-25(17)29)9-10-26(3,4)33-20/h7-8,11,13H,9-10,12H2,1-6H3,(H,27,28)	C26H29NO6	451.512	7	1	83.09	4	6	0	1.3239	6.20957000000001	3.55	4.124	76.5009	130.6777	3.4026	427.036216274469
Cond-007309	NPD7338	NPD7338	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.12651348	[C@H]12CCCCN1C[C@@H]1C[C@@H]2C=C2CCCN(C(=O)c3ccc(Cl)nc3Cl)[C@@H]12	InChI=1S/C21H25Cl2N3O/c22-18-7-6-16(20(23)24-18)21(27)26-9-3-4-13-10-14-11-15(19(13)26)12-25-8-2-1-5-17(14)25/h6-7,10,14-15,17,19H,1-5,8-9,11-12H2/t14-,15-,17+,19+/m0/s1	C21H25Cl2N3O	406.349	4	0	36.44	5	2	0	-0.987400000000001	4.31818	3.11	3.015	79.5576	109.959	2.9124	358.11019170193
Cond-007310	NPD7339	NPD7339	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.2937093042	COc1c2c(C)c(CC(=O)NCC(O)COCc3ccco3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H31NO8/c1-15-19(10-22(29)27-12-16(28)13-32-14-17-6-5-9-33-17)25(30)34-24-18-7-8-26(2,3)35-20(18)11-21(31-4)23(15)24/h5-6,9,11,16,28H,7-8,10,12-14H2,1-4H3,(H,27,29)	C26H31NO8	485.526	9	2	116.46	4	10	0	-0.0504000000000022	3.86236000000001	3.33	1.933	87.0203	134.2245	3.563	447.253128376391
Cond-007311	NPD734	NPD734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.686341798	CC(NC(=O)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1c(O)cccc1	InChI=1S/C21H28N2O8/c1-10(17(25)23-11-8-6-7-9-12(11)24)22-18(26)15-13-14(29-20(2,3)28-13)16-19(27-15)31-21(4,5)30-16/h6-10,13-16,19,24H,1-5H3,(H,22,26)(H,23,25)/t10?,13-,14+,15?,16-,19-/m1/s1	C21H28N2O8	436.456	10	3	124.58	4	6	0	-2.5371	2.06588	2.67	1.714	79.6546	110.3502	3.0873	390.579341557625
Cond-007312	NPD7340	NPD7340	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.2669644299	COc1c2c(C)c(CC(=O)Nc3cccc(c3)C(C)O)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C26H29NO6/c1-14-19(12-22(29)27-17-8-6-7-16(11-17)15(2)28)25(30)32-24-18-9-10-26(3,4)33-20(18)13-21(31-5)23(14)24/h6-8,11,13,15,28H,9-10,12H2,1-5H3,(H,27,29)	C26H29NO6	451.512	7	2	94.09	4	6	0	0.274299999999999	5.88515000000001	3.55	3.685	75.5442	130.3415	3.4026	427.036216274469
Cond-007313	NPD7341	NPD7341	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7835118119	CN(CCc1ncccc1)C(=O)COc1c2c3c(CCC3)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C27H30N2O5/c1-27(2)12-10-20-21(34-27)15-22(24-18-8-6-9-19(18)26(31)33-25(20)24)32-16-23(30)29(3)14-11-17-7-4-5-13-28-17/h4-5,7,13,15H,6,8-12,14,16H2,1-3H3	C27H30N2O5	462.537	7	0	77.96	5	7	0	-0.584500000000001	5.17436000000001	3.66	3.877	78.4599	133.252	3.476	434.182275707142
Cond-007314	NPD7342	NPD7342	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.318409299	COc1c2[nH]c(cc2c(OC)cc1)C(=O)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	InChI=1S/C24H26N4O4/c1-14(23(29)25-11-10-15-13-26-18-7-5-4-6-16(15)18)27-24(30)19-12-17-20(31-2)8-9-21(32-3)22(17)28-19/h4-9,12-14,26,28H,10-11H2,1-3H3,(H,25,29)(H,27,30)/t14-/m0/s1	C24H26N4O4	434.488	8	4	108.24	4	10	0	-2.0526	3.05417	3.22	2.751	54.5001	130.3314	3.2598	383.417615545313
Cond-007315	NPD7344	NPD7344	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2386122812	CC(=CCOc1ccc2nc3CCCCCn3c(=O)c2c1)C	InChI=1S/C18H22N2O2/c1-13(2)9-11-22-14-7-8-16-15(12-14)18(21)20-10-5-3-4-6-17(20)19-16/h7-9,12H,3-6,10-11H2,1-2H3	C18H22N2O2	298.379	4	0	41.9	3	3	0	-0.00399999999999992	3.88367	3	3.199	58.0703	91.534	2.378	295.670027476657
Cond-007316	NPD7345	NPD7345	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6589047906	NC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C15H17N3O3/c16-13(19)9-21-10-5-6-12-11(8-10)15(20)18-7-3-1-2-4-14(18)17-12/h5-6,8H,1-4,7,9H2,(H2,16,19)	C15H17N3O3	287.314	6	2	84.99	3	3	0	-2.4084	2.24287	2.45	0.652	45.2589	83.8499	2.1138	263.569060507784
Cond-007317	NPD7346	NPD7346	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0786217001	COCCCNC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C19H25N3O4/c1-25-11-5-9-20-18(23)13-26-14-7-8-16-15(12-14)19(24)22-10-4-2-3-6-17(22)21-16/h7-8,12H,2-6,9-11,13H2,1H3,(H,20,23)	C19H25N3O4	359.42	7	1	80.23	3	8	0	-2.725	2.14398	2.78	1.338	64.9107	101.8757	2.7361	341.543225711813
Cond-007318	NPD7347	NPD7347	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9332042594	O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NCc1ccc2OCOc2c1	InChI=1S/C23H23N3O5/c27-22(24-12-15-5-8-19-20(10-15)31-14-30-19)13-29-16-6-7-18-17(11-16)23(28)26-9-3-1-2-4-21(26)25-18/h5-8,10-11H,1-4,9,12-14H2,(H,24,27)	C23H23N3O5	421.446	8	1	89.46	5	6	0	-2.6995	3.96396	3.11	2.484	57.4432	120.3722	3.0122	375.995097411841
Cond-007319	NPD7348	NPD7348	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7831035295	O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)Nc1ccc2OCOc2c1	InChI=1S/C22H21N3O5/c26-21(23-14-5-8-18-19(10-14)30-13-29-18)12-28-15-6-7-17-16(11-15)22(27)25-9-3-1-2-4-20(25)24-17/h5-8,10-11H,1-4,9,12-13H2,(H,23,26)	C22H21N3O5	407.419	8	1	89.46	5	5	0	-2.7111	5.22585	3	2.541	52.731	118.1542	2.8713	358.699112785974
Cond-007320	NPD7349	NPD7349	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6145574422	CCCCNC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C19H25N3O3/c1-2-3-10-20-18(23)13-25-14-8-9-16-15(12-14)19(24)22-11-6-4-5-7-17(22)21-16/h8-9,12H,2-7,10-11,13H2,1H3,(H,20,23)	C19H25N3O3	343.42	6	1	71	3	7	0	-2.9215	2.90758	2.89	2.52	61.693	100.2907	2.6774	332.752999011252
Cond-007321	NPD735	NPD735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.3885925712	C[C@]12CCC3C(CCC4=C/C(=N\OCC(=O)NCc5ccc(cc5)C(=O)O)/CC[C@]34C)C1CCC2O	InChI=1S/C29H38N2O5/c1-28-13-11-21(31-36-17-26(33)30-16-18-3-5-19(6-4-18)27(34)35)15-20(28)7-8-22-23-9-10-25(32)29(23,2)14-12-24(22)28/h3-6,15,22-25,32H,7-14,16-17H2,1-2H3,(H,30,33)(H,34,35)/b31-21-/t22?,23?,24?,25?,28-,29-/m0/s1	C29H38N2O5	494.622	7	3	108.22	5	7	1	-0.799199999999998	4.40207000000001	3.88	5.157	108.7493	140.4983	3.8438	484.947162360475
Cond-007322	NPD7350	NPD7350	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5192695115	COc1ccccc1CNC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C23H25N3O4/c1-29-20-8-5-4-7-16(20)14-24-22(27)15-30-17-10-11-19-18(13-17)23(28)26-12-6-2-3-9-21(26)25-19/h4-5,7-8,10-11,13H,2-3,6,9,12,14-15H2,1H3,(H,24,27)	C23H25N3O4	407.462	7	1	80.23	4	7	0	-2.4486	3.53228	3.22	3.212	57.2869	118.7847	3.0621	379.56132941208
Cond-007323	NPD7351	NPD7351	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0656707046	COc1ccc(NC(=O)COc2ccc3nc4CCCCCn4c(=O)c3c2)cc1	InChI=1S/C22H23N3O4/c1-28-16-8-6-15(7-9-16)23-21(26)14-29-17-10-11-19-18(13-17)22(27)25-12-4-2-3-5-20(25)24-19/h6-11,13H,2-5,12,14H2,1H3,(H,23,26)	C22H23N3O4	393.436	7	1	80.23	4	6	0	-2.4602	4.23867	3.11	3.058	52.5747	114.2397	2.9212	362.265344786213
Cond-007324	NPD7352	NPD7352	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.745925015	COc1cc(NC(=O)COc2ccc3nc4CCCCCn4c(=O)c3c2)cc(OC)c1OC	InChI=1S/C24H27N3O6/c1-30-19-11-15(12-20(31-2)23(19)32-3)25-22(28)14-33-16-8-9-18-17(13-16)24(29)27-10-6-4-5-7-21(27)26-18/h8-9,11-13H,4-7,10,14H2,1-3H3,(H,25,28)	C24H27N3O6	453.488	9	1	98.69	4	8	0	-2.5638	4.25587000000001	3.11	2.17	67.2063	127.3437	3.3204	414.437767439069
Cond-007325	NPD7353	NPD7353	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8635305199	COc1ccccc1NC(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C22H23N3O4/c1-28-19-8-5-4-7-18(19)24-21(26)14-29-15-10-11-17-16(13-15)22(27)25-12-6-2-3-9-20(25)23-17/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3,(H,24,26)	C22H23N3O4	393.436	7	1	80.23	4	6	0	-2.4602	4.23867	3.11	3.058	52.5747	114.2397	2.9212	362.265344786213
Cond-007326	NPD7354	NPD7354	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1309489548	[C@@H]12Cc3c(CN1C(=O)N(CCCC(=O)Nc1cc4c(OCO4)cc1)C2=O)cc(OC)c(OC)c3	InChI=1S/C24H25N3O7/c1-31-19-9-14-8-17-23(29)26(24(30)27(17)12-15(14)10-20(19)32-2)7-3-4-22(28)25-16-5-6-18-21(11-16)34-13-33-18/h5-6,9-11,17H,3-4,7-8,12-13H2,1-2H3,(H,25,28)/t17-/m0/s1	C24H25N3O7	467.471	10	1	106.64	5	8	0	-2.117	3.53557	3	1.352	69.5027	124.9097	3.2705	410.87153543883
Cond-007327	NPD7356	NPD7356	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6228251485	CCOC(=O)C(CC(=O)C)c1cc(=O)oc2c(OC)c(OC)ccc12	InChI=1S/C18H20O7/c1-5-24-18(21)13(8-10(2)19)12-9-15(20)25-16-11(12)6-7-14(22-3)17(16)23-4/h6-7,9,13H,5,8H2,1-4H3	C18H20O7	348.347	7	0	88.13	2	8	0	-0.131400000000001	2.71657	2.67	0.999	65.1701	92.821	2.5375	327.347640563129
Cond-007328	NPD7357	NPD7357	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9447685827	OC(=O)CC1NC(=O)c2ccccc2NC1=O	InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)	C11H10N2O4	234.208	6	3	95.5	2	2	0	-1.6317	0.44569	2.01	1.243	29.9743	61.8217	1.6177	204.535047197511
Cond-007329	NPD7358	NPD7358	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3584155307	COc1ccc(cc1)c1nc2c(cc(O)cc2)c(O)n1	InChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)14-16-13-7-4-10(18)8-12(13)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)	C15H12N2O3	268.267	5	2	75.47	3	2	0	-0.9724	3.94597	2.56	2.4	12.445	80.2408	1.928	225.499382898017
Cond-007330	NPD7359	NPD7359	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7087465006	COc1cc2c(cc1OC)c(=O)n1cc(ccc1n2)C(=O)O	InChI=1S/C15H12N2O5/c1-21-11-5-9-10(6-12(11)22-2)16-13-4-3-8(15(19)20)7-17(13)14(9)18/h3-7H,1-2H3,(H,19,20)	C15H12N2O5	300.266	7	1	88.43	3	3	0	-0.8312	1.71186	2.34	0.57	54.0747	81.1873000000001	2.0454	264.879836299139
Cond-007331	NPD736	NPD736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8491126457	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc2c(cc1)c1c(CCCC1)c(=O)o2	InChI=1S/C42H58O5/c1-26(2)9-8-10-27(3)35-17-18-36-34-15-13-28-23-30(19-21-41(28,4)37(34)20-22-42(35,36)5)46-39(43)25-45-29-14-16-32-31-11-6-7-12-33(31)40(44)47-38(32)24-29/h13-14,16,24,26-27,30,34-37H,6-12,15,17-23,25H2,1-5H3/t27-,30+,34+,35-,36+,37+,41+,42-/m1/s1	C42H58O5	642.907	5	0	61.83	7	10	1	1.1024	10.74336	5.53	13.602	154.8069	189.857999999999	5.25870000000001	663.088524678805
Cond-007332	NPD7360	NPD7360	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5038329714	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)COc1ccc2nc3CCCn3c(=O)c2c1	InChI=1S/C24H22N4O5/c29-22(27-20(24(31)32)10-14-12-25-18-5-2-1-4-16(14)18)13-33-15-7-8-19-17(11-15)23(30)28-9-3-6-21(28)26-19/h1-2,4-5,7-8,11-12,20,25H,3,6,9-10,13H2,(H,27,29)(H,31,32)/t20-/m0/s1	C24H22N4O5	446.455	9	3	124.09	5	8	0	-2.5873	3.19406	3.11	2.226	58.1432	128.464	3.1669	388.114924844274
Cond-007333	NPD7361	NPD7361	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.0637084325	CC(C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)O	InChI=1S/C15H20N2O3/c1-10(2)13(14(18)19)16-15(20)17-8-7-11-5-3-4-6-12(11)9-17/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)/t13-/m0/s1	C15H20N2O3	276.331	5	2	69.64	2	5	0	-0.172900000000001	1.75789	2.56	2.8	48.6287	77.8365	2.1656	267.565217701217
Cond-007334	NPD7362	NPD7362	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0758483556	[C@H]12CCCc3c1c(ccc3)C(=O)N(C2)[C@H]1CN2CCC1CC2	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m1/s1	C19H24N2O	296.407	3	0	23.55	3	1	0	-1.7838	2.62489	3.22	3.702	56.2438	89.1310000000001	2.329	284.735785401963
Cond-007335	NPD7363	NPD7363	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.9127966301	OCC(CO)NC1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6?,7-,8+,9-,10-/m0/s1	C10H21NO7	267.276	8	8	153.64	1	5	1	-3.889	-4.4924	1.68	-2.63	59.1331	59.5563	1.9197	241.688193370761
Cond-007336	NPD7364	NPD7364	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3790586327	C[C@]12CN3C[C@](C)(CN(C1)C3c1ccco1)[C@H]2N	InChI=1S/C14H21N3O/c1-13-6-16-8-14(2,12(13)15)9-17(7-13)11(16)10-4-3-5-18-10/h3-5,11-12H,6-9,15H2,1-2H3/t11?,12-,13-,14+	C14H21N3O	247.336	4	2	45.64	1	1	0	-0.205	0.9026	2.56	0.857	53.3066	70.4354	1.9189	226.881998583195
Cond-007337	NPD7365	NPD7365	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.0290154627	COc1ccc2[nH]c3c(CN(CC3)C(=O)COc3ccccc3)c2c1	InChI=1S/C20H20N2O3/c1-24-15-7-8-18-16(11-15)17-12-22(10-9-19(17)21-18)20(23)13-25-14-5-3-2-4-6-14/h2-8,11,21H,9-10,12-13H2,1H3	C20H20N2O3	336.384	5	1	54.56	4	5	0	-1.7277	3.45867	3.11	3.373	36.5744	101.93	2.5239	299.622847326552
Cond-007338	NPD7366	NPD7366	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.2361267366	OC1=Nc2c(CCC1Oc1ccc3nc4CCCn4c(=O)c3c1)cccc2	InChI=1S/C21H19N3O3/c25-20-18(10-7-13-4-1-2-5-16(13)23-20)27-14-8-9-17-15(12-14)21(26)24-11-3-6-19(24)22-17/h1-2,4-5,8-9,12,18H,3,6-7,10-11H2,(H,23,25)	C21H19N3O3	361.394	6	1	74.49	5	2	0	-1.4601	3.71177	3.11	3.882	47.0084	107.3618	2.613	323.822674758985
Cond-007339	NPD7368	NPD7368	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.552052537	CCCc1cc(=O)oc2c(C)c3c(cc12)c(=O)cco3	InChI=1S/C16H14O4/c1-3-4-10-7-14(18)20-16-9(2)15-12(8-11(10)16)13(17)5-6-19-15/h5-8H,3-4H2,1-2H3	C16H14O4	270.28	4	0	52.6	3	2	0	-0.0357000000000002	3.93958	2.78	3.013	50.9432	78.9995	1.971	254.028532508912
Cond-007340	NPD7369	NPD7369	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4308626148	COc1cc2c(cc1)n(CCC(=O)NCCc1c[nH]cn1)cc2	InChI=1S/C17H20N4O2/c1-23-15-2-3-16-13(10-15)5-8-21(16)9-6-17(22)19-7-4-14-11-18-12-20-14/h2-3,5,8,10-12H,4,6-7,9H2,1H3,(H,18,20)(H,19,22)	C17H20N4O2	312.366	6	2	71.94	3	8	0	-1.3238	2.27918	2.67	1.477	37.8405	93.1247	2.3937	275.931104566323
Cond-007341	NPD737	NPD737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.520003971	COc1ccc(CNC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC	InChI=1S/C21H25N3O4/c1-27-18-7-6-14(9-19(18)28-2)10-22-21(26)23-11-15-8-16(13-23)17-4-3-5-20(25)24(17)12-15/h3-7,9,15-16H,8,10-13H2,1-2H3,(H,22,26)/t15-,16-/m0/s1	C21H25N3O4	383.441	7	1	71.11	4	6	0	-1.4874	1.89417	3	0.804	81.2253	105.8347	2.8663	361.142277561947
Cond-007342	NPD7370	NPD7370	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.61317077	COc1cc2c(cc1)n(CCC(=O)Nc1ccc3cc[nH]c3c1)cc2	InChI=1S/C20H19N3O2/c1-25-17-4-5-19-15(12-17)7-10-23(19)11-8-20(24)22-16-3-2-14-6-9-21-18(14)13-16/h2-7,9-10,12-13,21H,8,11H2,1H3,(H,22,24)	C20H19N3O2	333.384	5	2	59.05	4	6	0	-1.0474	5.32246	3.11	3.139	30.2167	106.0357	2.522	288.292922133357
Cond-007343	NPD7371	NPD7371	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.7678501347	Brc1cc2c(ccn2CCC(=O)Nc2cc3c([nH]cc3)cc2)cc1	InChI=1S/C19H16BrN3O/c20-15-2-1-13-6-9-23(18(13)12-15)10-7-19(24)22-16-3-4-17-14(11-16)5-8-21-17/h1-6,8-9,11-12,21H,7,10H2,(H,22,24)	C19H16BrN3O	382.254	4	2	49.82	4	5	0	-0.1068	5.67117	3	4.017	31.5	106.1427	2.4974	281.490329784496
Cond-007344	NPD7372	NPD7372	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1970382774	COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCCc3c[nH]cn3)ccc2c1=O	InChI=1S/C24H23N3O6/c1-15-24(33-20-6-4-3-5-19(20)30-2)23(29)18-8-7-17(11-21(18)32-15)31-13-22(28)26-10-9-16-12-25-14-27-16/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,27)(H,26,28)	C24H23N3O6	449.456	9	2	111.77	4	10	0	-2.2976	3.45586	3.11	3.312	55.1529	125.8247	3.2344	398.264850037469
Cond-007345	NPD7373	NPD7373	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1284634102	[C@@H]12Cc3ccccc3CN1C(=O)N(C2=O)c1ccc(cc1)C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C28H24N4O3/c33-26(29-14-13-20-16-30-24-8-4-3-7-23(20)24)18-9-11-22(12-10-18)32-27(34)25-15-19-5-1-2-6-21(19)17-31(25)28(32)35/h1-12,16,25,30H,13-15,17H2,(H,29,33)/t25-/m0/s1	C28H24N4O3	464.515	7	2	85.51	6	6	1	-1.6223	3.58608	3.77	5.46	47.69	136.8757	3.41850000000001	411.189033844219
Cond-007346	NPD7374	NPD7374	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6120718976	COC(=O)c1cc2c(cc1)c(c[nH]2)C(Cc1c(N)cc(cc1)C(=O)OC)c1c[nH]c2c1ccc(c2)C(=O)OC	InChI=1S/C30H27N3O6/c1-37-28(34)17-5-4-16(25(31)11-17)10-22(23-14-32-26-12-18(29(35)38-2)6-8-20(23)26)24-15-33-27-13-19(30(36)39-3)7-9-21(24)27/h4-9,11-15,22,32-33H,10,31H2,1-3H3	C30H27N3O6	525.552	9	4	136.5	5	10	0	-1.3668	5.92707000000001	3.77	4.155	55.3216	152.7404	3.84220000000001	459.974922989469
Cond-007347	NPD7375	NPD7375	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9794615525	CC(C)CCn1cnc2c(ccc(c2)C(=O)O)c1=O	InChI=1S/C14H16N2O3/c1-9(2)5-6-16-8-15-12-7-10(14(18)19)3-4-11(12)13(16)17/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)	C14H16N2O3	260.288	5	1	69.97	2	4	0	-0.612299999999999	2.41258	2.45	2.607	44.1034	75.8813000000001	1.9817	247.63277437455
Cond-007348	NPD7376	NPD7376	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.6630124801	OC(=O)[C@H](CSCc1ccccc1)NC(=O)COc1ccc2nc3CCCn3c(=O)c2c1	InChI=1S/C23H23N3O5S/c27-21(25-19(23(29)30)14-32-13-15-5-2-1-3-6-15)12-31-16-8-9-18-17(11-16)22(28)26-10-4-7-20(26)24-18/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2,(H,25,27)(H,29,30)/t19-/m0/s1	C23H23N3O5S	453.511	8	2	133.6	4	10	0	-1.6155	3.14067	3	3.818	67.1957	126.836	3.2413	404.224121469441
Cond-007349	NPD7377	NPD7377	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.0827293896	COc1ccc(cc1)n1c(C)nc2c(cc(OCC(=O)O)cc2)c1=O	InChI=1S/C18H16N2O5/c1-11-19-16-8-7-14(25-10-17(21)22)9-15(16)18(23)20(11)12-3-5-13(24-2)6-4-12/h3-9H,10H2,1-2H3,(H,21,22)	C18H16N2O5	340.33	7	1	88.43	3	5	0	-1.2377	4.02836	2.67	2.574	39.7807	98.6883	2.4251	303.23133147594
Cond-007350	NPD7378	NPD7378	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.059600743	COc1c(OC)cc2c(=O)n(CCC(=O)O)c(O)nc2c1	InChI=1S/C13H14N2O6/c1-20-9-5-7-8(6-10(9)21-2)14-13(19)15(12(7)18)4-3-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,17)	C13H14N2O6	294.26	8	2	108.66	2	5	0	-0.495	1.31138	2.01	0.25	47.0313	76.6171000000001	2.0169	256.707469850367
Cond-007351	NPD738	NPD738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.571743274	Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O	InChI=1S/C20H17ClO4/c1-11-12(2)20(23)25-19-13(3)18(9-8-16(11)19)24-10-17(22)14-4-6-15(21)7-5-14/h4-9H,10H2,1-3H3	C20H17ClO4	356.8	4	0	52.6	3	4	0	2.0361	5.44959	3.11	4.262	47.8191	101.8315	2.571	322.250621381213
Cond-007352	NPD7380	NPD7380	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8390152011	[C@H]12CCCCN1C[C@H]1C[C@H]2C=C2CCCN(C(=O)NCC)[C@@H]12	InChI=1S/C18H29N3O/c1-2-19-18(22)21-9-5-6-13-10-14-11-15(17(13)21)12-20-8-4-3-7-16(14)20/h10,14-17H,2-9,11-12H2,1H3,(H,19,22)/t14-,15-,16-,17-/m1/s1	C18H29N3O	303.442	4	1	35.58	4	3	0	-1.695	2.13508	3	1.399	79.8448	90.2767000000001	2.4825	306.965937086663
Cond-007353	NPD7381	NPD7381	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7982522697	COCCNC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C15H21N3O2S/c1-20-6-5-16-15(21)17-8-11-7-12(10-17)13-3-2-4-14(19)18(13)9-11/h2-4,11-12H,5-10H2,1H3,(H,16,21)/t11-,12+/m0/s1	C15H21N3O2S	307.411	5	1	76.9	3	5	0	-0.5249	0.82757	2.45	0.543	86.6126	87.2857	2.3046	289.460775266423
Cond-007354	NPD7382	NPD7382	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6189529316	C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl	InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18?,19?,21+,24+,25+,26+,27+/m1/s1	C27H30Cl2O6	521.429	6	1	93.81	5	5	0	0.740300000000002	4.95547	3.55	3.583	114.4356	132.9313	3.6659	467.574034933836
Cond-007355	NPD7383	NPD7383	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.3284058502	COCCCNC(=O)COc1cc(O)c2C(=O)CC(C)(C)Oc2c1	InChI=1S/C17H23NO6/c1-17(2)9-13(20)16-12(19)7-11(8-14(16)24-17)23-10-15(21)18-5-4-6-22-3/h7-8,19H,4-6,9-10H2,1-3H3,(H,18,21)	C17H23NO6	337.368	7	2	94.09	2	8	0	-1.5566	2.77277	2.56	0.284	61.1213	94.4822	2.5237	317.531106846468
Cond-007356	NPD7384	NPD7384	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5500902645	CC(=C)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C17H20N2O2/c1-12(2)11-21-13-7-8-15-14(10-13)17(20)19-9-5-3-4-6-16(19)18-15/h7-8,10H,1,3-6,9,11H2,2H3	C17H20N2O2	284.353	4	0	41.9	3	3	0	-0.4063	3.49357	2.89	2.464	52.3968	86.917	2.2371	278.37404285079
Cond-007357	NPD7385	NPD7385	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.6525470291	O=c1n2CCCCCc2nc2ccc(OCCOc3ccccc3)cc12	InChI=1S/C21H22N2O3/c24-21-18-15-17(26-14-13-25-16-7-3-1-4-8-16)10-11-19(18)22-20-9-5-2-6-12-23(20)21/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2	C21H22N2O3	350.411	5	0	51.13	4	5	0	-1.7027	4.57107000000001	3.22	4.351	44.2989	106.371	2.6648	327.818831952419
Cond-007358	NPD7386	NPD7386	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7351717642	O=c1n2CCCCCc2nc2ccc(OCCCOc3ccccc3)cc12	InChI=1S/C22H24N2O3/c25-22-19-16-18(27-15-7-14-26-17-8-3-1-4-9-17)11-12-20(19)23-21-10-5-2-6-13-24(21)22/h1,3-4,8-9,11-12,16H,2,5-7,10,13-15H2	C22H24N2O3	364.438	5	0	51.13	4	6	0	-1.9907	4.96117000000001	3.33	4.709	47.2105	110.988	2.8057	345.114816578285
Cond-007359	NPD7387	NPD7387	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1780173203	COc1ccc(NC(=O)COc2ccc3nc4CCCCCn4c(=O)c3c2)cc1OC	InChI=1S/C23H25N3O5/c1-29-19-10-7-15(12-20(19)30-2)24-22(27)14-31-16-8-9-18-17(13-16)23(28)26-11-5-3-4-6-21(26)25-18/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,24,27)	C23H25N3O5	423.462	8	1	89.46	4	7	0	-2.512	4.24727000000001	3.11	2.614	59.8905	120.7917	3.1208	388.351556112641
Cond-007360	NPD7388	NPD7388	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6561314461	Oc1cccc(NC(=O)COc2ccc3nc4CCCCCn4c(=O)c3c2)c1	InChI=1S/C21H21N3O4/c25-15-6-4-5-14(11-15)22-20(26)13-28-16-8-9-18-17(12-16)21(27)24-10-3-1-2-7-19(24)23-18/h4-6,8-9,11-12,25H,1-3,7,10,13H2,(H,22,26)	C21H21N3O4	379.409	7	2	91.23	4	5	0	-2.8687	4.70196	3	2.539	47.8235	111.635	2.7803	344.969360160346
Cond-007361	NPD7389	NPD7389	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4129405301	COc1cc(NC(=O)COc2ccc3nc4CCCCCn4c(=O)c3c2)ccc1	InChI=1S/C22H23N3O4/c1-28-16-7-5-6-15(12-16)23-21(26)14-29-17-9-10-19-18(13-17)22(27)25-11-4-2-3-8-20(25)24-19/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3,(H,23,26)	C22H23N3O4	393.436	7	1	80.23	4	6	0	-2.4602	4.23867	3.11	3.058	52.5747	114.2397	2.9212	362.265344786213
Cond-007362	NPD739	NPD739	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0439799489	CCCCC(NC(=O)C(C)NC(=O)CO/N=C/1\CC[C@]2(C)C3CC[C@]4(C)C(O)CCC4C3CCC2=C1)C(=O)O	InChI=1S/C30H47N3O6/c1-5-6-7-24(28(37)38)32-27(36)18(2)31-26(35)17-39-33-20-12-14-29(3)19(16-20)8-9-21-22-10-11-25(34)30(22,4)15-13-23(21)29/h16,18,21-25,34H,5-15,17H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/b33-20+/t18?,21?,22?,23?,24?,25?,29-,30-/m0/s1	C30H47N3O6	545.711	9	4	137.32	4	12	1	-2.5212	4.25677000000001	3.77	4.747	138.6564	152.924	4.3378	550.559509997469
Cond-007363	NPD7390	NPD7390	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8070432485	CC12CC(CC(C)(C)C1)N(C2)C(=O)COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C25H33N3O3/c1-24(2)12-17-13-25(3,15-24)16-28(17)22(29)14-31-18-8-9-20-19(11-18)23(30)27-10-6-4-5-7-21(27)26-20/h8-9,11,17H,4-7,10,12-16H2,1-3H3	C25H33N3O3	423.548	6	0	62.21	5	4	0	-0.679799999999998	4.41848000000001	3.55	4.102	89.4481	123.613	3.3056	411.815989364853
Cond-007364	NPD7392	NPD7392	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0634729599	Cc1cc(=O)oc2c(C)c3c(cc12)c(=O)cco3	InChI=1S/C14H10O4/c1-7-5-12(16)18-14-8(2)13-10(6-9(7)14)11(15)3-4-17-13/h3-6H,1-2H3	C14H10O4	242.227	4	0	52.6	3	0	0	0.7806	3.15938	2.56	1.98	42.7696	69.7655	1.6892	219.436563257178
Cond-007365	NPD7393	NPD7393	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3215248162	COc1c(O)c(C(=O)C/C=C/N(C)C)c(OC)c2c1occ2	InChI=1S/C16H19NO5/c1-17(2)8-5-6-11(18)12-13(19)16(21-4)15-10(7-9-22-15)14(12)20-3/h5,7-9,19H,6H2,1-4H3/b8-5+	C16H19NO5	305.326	6	1	72.14	2	6	0	-0.7824	2.69828	2.56	1.227	52.5622	85.5088000000001	2.2811	277.90843681924
Cond-007366	NPD7394	NPD7394	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8271630779	Cc1c(c2c(o1)c(C)c1oc(=O)c(CC(=O)Nc3c(cccc3)C(=O)N)c(C)c1c2)c1ccccc1	InChI=1S/C29H24N2O5/c1-15-20-13-22-25(18-9-5-4-6-10-18)17(3)35-27(22)16(2)26(20)36-29(34)21(15)14-24(32)31-23-12-8-7-11-19(23)28(30)33/h4-13H,14H2,1-3H3,(H2,30,33)(H,31,32)	C29H24N2O5	480.511	7	3	111.63	5	6	1	0.3201	6.15730000000001	3.88	6.477	51.9581	143.1636	3.5428	433.791951454875
Cond-007367	NPD7395	NPD7395	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4922686481	Cn1cc(/C=C(\NC(=O)c2ccccc2)/C(=O)N2C[C@@H]3CC(C2)c2cccc(=O)n2C3)c2c1cccc2	InChI=1S/C30H28N4O3/c1-32-18-22(24-10-5-6-11-27(24)32)15-25(31-29(36)21-8-3-2-4-9-21)30(37)33-16-20-14-23(19-33)26-12-7-13-28(35)34(26)17-20/h2-13,15,18,20,23H,14,16-17,19H2,1H3,(H,31,36)/b25-15-/t20-,23?/m0/s1	C30H28N4O3	492.568	7	1	74.65	6	6	0	-1.9008	4.01855000000001	3.99	4.713	85.0629	144.5992	3.7003	456.681003095953
Cond-007368	NPD7396	NPD7396	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7304884749	O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1)c1cc2c(oc1=O)cccc2	InChI=1S/C26H20N2O3/c29-25(27-13-12-20-16-28-23-10-3-2-9-21(20)23)19-8-5-7-17(14-19)22-15-18-6-1-4-11-24(18)31-26(22)30/h1-11,14-16,28H,12-13H2,(H,27,29)	C26H20N2O3	408.449	5	2	71.19	5	6	1	-0.6069	4.96636	3.77	6.736	35.2957	125.6492	3.0457	366.960002876952
Cond-007369	NPD7397	NPD7397	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4763088355	Oc1nnc(CC(=O)N2CC3CC(C2)n2c(=O)cccc2C3)c2ccccc12	InChI=1S/C21H20N4O3/c26-19-7-3-4-14-8-13-9-15(25(14)19)12-24(11-13)20(27)10-18-16-5-1-2-6-17(16)21(28)23-22-18/h1-7,13,15H,8-12H2,(H,23,28)	C21H20N4O3	376.409	7	1	86.63	5	3	0	-1.3283	2.67765	3	1.563	66.8289	106.8528	2.7128	334.819434967152
Cond-007370	NPD7398	NPD7398	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.2468799874	COc1ccc2nc3CCCCCn3c(=O)c2c1	InChI=1S/C14H16N2O2/c1-18-10-6-7-12-11(9-10)14(17)16-8-4-2-3-5-13(16)15-12/h6-7,9H,2-5,8H2,1H3	C14H16N2O2	244.289	4	0	41.9	3	1	0	-1.4695	2.62108	2.56	1.998	38.9521	73.43	1.8574	229.122547673989
Cond-007371	NPD7399	NPD7399	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.9138955025	COC(=O)C(Cc1ccccc1)c1cc(=O)oc2cc(OC)ccc12	InChI=1S/C20H18O5/c1-23-14-8-9-15-16(12-19(21)25-18(15)11-14)17(20(22)24-2)10-13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3	C20H18O5	338.354	5	0	61.83	3	6	1	0.210299999999999	3.58147	3.11	5.114	42.9955	96.5	2.5073	315.82978031134
Cond-007372	NPD74	NPD74	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5764683628	CCOc1ccc(cc1)C(c1c(C)[nH]c2c1cccc2)c1c(C)[nH]c2c1cccc2	InChI=1S/C27H26N2O/c1-4-30-20-15-13-19(14-16-20)27(25-17(2)28-23-11-7-5-9-21(23)25)26-18(3)29-24-12-8-6-10-22(24)26/h5-16,27-29H,4H2,1-3H3	C27H26N2O	394.508	3	2	40.81	5	5	1	0.3028	6.65282000000001	4.1	7.759	33.3221	125.853	3.1552	361.048451503297
Cond-007373	NPD740	NPD740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.887238213	COc1ccc(cc1)C1CC2CC(COC(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C1	InChI=1S/C26H33NO6/c1-29-22-7-5-18(6-8-22)20-12-21-11-17(9-10-27(21)15-20)16-33-26(28)19-13-23(30-2)25(32-4)24(14-19)31-3/h5-8,13-14,17,20-21H,9-12,15-16H2,1-4H3	C26H33NO6	455.543	7	0	66.46	4	9	0	-0.689699999999999	4.11429000000001	3.55	3.861	73.4082	127.839	3.4886	432.309133676069
Cond-007374	NPD7400	NPD7400	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.9970435101	Cc1c(c2c(o1)cc1oc(=O)c(CC(=O)Nc3c(cccc3)C(=O)N)c(C)c1c2)c1ccccc1	InChI=1S/C28H22N2O5/c1-15-19-12-21-24(34-16(2)26(21)17-8-4-3-5-9-17)14-23(19)35-28(33)20(15)13-25(31)30-22-11-7-6-10-18(22)27(29)32/h3-12,14H,13H2,1-2H3,(H2,29,32)(H,30,31)	C28H22N2O5	466.485	7	3	111.63	5	6	1	-0.3219	6.12928	3.77	6.365	46.456	139.5236	3.4019	416.495966829008
Cond-007375	NPD7401	NPD7401	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7481227597	CC1(C)Cc2nc3c(cc2CO1)c(O)ncn3	InChI=1S/C12H13N3O2/c1-12(2)4-9-7(5-17-12)3-8-10(15-9)13-6-14-11(8)16/h3,6H,4-5H2,1-2H3,(H,13,14,15,16)	C12H13N3O2	231.251	5	1	68.13	3	0	0	0.0537	2.42317	2.23	1.125	27.5293	65.315	1.6754	194.627338630423
Cond-007376	NPD7402	NPD7402	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.7156275346	CC1(C)CC2(CCO1)N1C[C@]3(CN2C[C@@](C1)([C@H]3O)c1ccccc1)c1ccccc1	InChI=1S/C26H32N2O2/c1-23(2)15-26(13-14-30-23)27-16-24(20-9-5-3-6-10-20)17-28(26)19-25(18-27,22(24)29)21-11-7-4-8-12-21/h3-12,22,29H,13-19H2,1-2H3/t22-,24-,25+,26?	C26H32N2O2	404.544	4	1	35.94	3	2	1	-0.738300000000002	3.15340000000001	3.88	7.043	65.6116	117.3888	3.1794	386.068528381192
Cond-007377	NPD7404	NPD7404	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1934538604	CCOC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]12C)C(=O)OCCl	InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16?,17?,18-,19?,22-,23-,24-/m0/s1	C24H31ClO7	466.952	7	1	99.13	4	7	0	1.789	3.36687	3.22	3.426	116.4197	117.9698	3.3741	437.794616088764
Cond-007378	NPD7405	NPD7405	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7726380785	[C@@H]1([C@H](C)O)C(=O)N2C(=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N)C3)[C@@H](C)[C@@H]12)C(=O)O	InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8-,9-,10-,11-/m0/s1	C15H24N4O6S2	420.504	10	6	195.74	3	7	0	-3.4647	-1.49102	1.79	-4.179	94.9177	96.0874	2.8457	356.763925035235
Cond-007379	NPD7406	NPD7406	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.2826718296	[C@@H]12CC[C@H](C(=O)Nc3cc(ccc3C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@]12C	InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1	C27H30F6N2O2	528.53	4	2	58.2	5	5	1	2.0591	6.70878000000001	3.33	7.91	96.7932	125.9484	3.5351	463.026324809697
Cond-007380	NPD7407	NPD7407	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.2457811151	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1	InChI=1S/C24H19NO6/c1-29-20-10-11-22-16(12-20)13-21(24(28)31-22)15-2-8-19(9-3-15)30-14-23(27)25-17-4-6-18(26)7-5-17/h2-13,26H,14H2,1H3,(H,25,27)	C24H19NO6	417.411	7	2	94.09	4	7	0	-1.3217	4.92106	3.33	4.442	38.8932	118.8665	2.9918	373.634870920335
Cond-007381	NPD7408	NPD7408	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8177964993	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)Nc2ncccc2)cc1	InChI=1S/C23H18N2O5/c1-28-18-9-10-20-16(12-18)13-19(23(27)30-20)15-5-7-17(8-6-15)29-14-22(26)25-21-4-2-3-11-24-21/h2-13H,14H2,1H3,(H,24,25,26)	C23H18N2O5	402.399	7	1	86.75	4	7	0	-0.8614	4.61046	3.22	4.509	36.3286	114.9967	2.892	358.545419802074
Cond-007382	NPD7409	NPD7409	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4143272023	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)NCCCN(C)C)cc1	InChI=1S/C23H26N2O5/c1-25(2)12-4-11-24-22(26)15-29-18-7-5-16(6-8-18)20-14-17-13-19(28-3)9-10-21(17)30-23(20)27/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,24,26)	C23H26N2O5	410.463	7	1	77.1	3	10	0	-0.908400000000001	3.04457	3.22	3.284	62.956	118.0677	3.1296	389.711254605274
Cond-007383	NPD741	NPD741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.213838975	CCc1cc(=O)oc2cc(OC(C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)ccc12	InChI=1S/C25H24N2O6/c1-3-15-11-23(28)33-22-12-17(8-9-19(15)22)32-14(2)24(29)27-21(25(30)31)10-16-13-26-20-7-5-4-6-18(16)20/h4-9,11-14,21,26H,3,10H2,1-2H3,(H,27,29)(H,30,31)/t14?,21-/m0/s1	C25H24N2O6	448.468	8	3	117.72	4	9	0	-1.2683	3.93496000000001	3.33	4.047	62.6552	127.7195	3.27550000000001	404.564074455169
Cond-007384	NPD7410	NPD7410	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7784202402	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)NCCO)cc1	InChI=1S/C20H19NO6/c1-25-16-6-7-18-14(10-16)11-17(20(24)27-18)13-2-4-15(5-3-13)26-12-19(23)21-8-9-22/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,23)	C20H19NO6	369.368	7	2	94.09	3	8	0	-1.2985	2.08517	2.89	2.364	48.3176	101.9825	2.6658	335.616767220068
Cond-007385	NPD7411	NPD7411	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1794039926	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)N[C@@H](C)CO)cc1	InChI=1S/C21H21NO6/c1-13(11-23)22-20(24)12-27-16-5-3-14(4-6-16)18-10-15-9-17(26-2)7-8-19(15)28-21(18)25/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1	C21H21NO6	383.395	7	2	94.09	3	8	0	-1.3092	2.47367	3	2.824	52.902	106.5775	2.8067	352.912751845935
Cond-007386	NPD7412	NPD7412	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8849846943	Cc1ccc2OCC(=O)N(CC(=O)N[C@H](CO)Cc3ccccc3)c2c1	InChI=1S/C20H22N2O4/c1-14-7-8-18-17(9-14)22(20(25)13-26-18)11-19(24)21-16(12-23)10-15-5-3-2-4-6-15/h2-9,16,23H,10-13H2,1H3,(H,21,24)/t16-/m0/s1	C20H22N2O4	354.4	6	2	78.87	3	7	0	-1.622	2.42159	3	3.713	46.6683	102.8205	2.6912	331.669532727913
Cond-007387	NPD7413	NPD7413	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7120431177	COC(=O)C(CC(=O)C)c1cc(=O)oc2cc(OC)ccc12	InChI=1S/C16H16O6/c1-9(17)6-13(16(19)21-3)12-8-15(18)22-14-7-10(20-2)4-5-11(12)14/h4-5,7-8,13H,6H2,1-3H3	C16H16O6	304.295	6	0	78.9	2	6	0	-0.330000000000001	2.31787	2.56	1.02	53.5605	81.652	2.197	283.965444610834
Cond-007388	NPD7414	NPD7414	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.7445383428	CC(=O)c1cc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)ccc1	InChI=1S/C22H22N4O3/c1-14(27)15-5-4-6-16(11-15)24-21(28)12-23-22(29)26-10-9-18-17-7-2-3-8-19(17)25-20(18)13-26/h2-8,11,25H,9-10,12-13H2,1H3,(H,23,29)(H,24,28)	C22H22N4O3	390.435	7	3	94.3	4	7	0	-1.8598	2.85877	3.11	2.649	49.8927	114.7019	2.9193	350.935419593019
Cond-007389	NPD7416	NPD7416	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.5019230266	O=C(CCNc1ncnc2c1[nH]cn2)NCCc1ccccc1	InChI=1S/C16H18N6O/c23-13(17-8-6-12-4-2-1-3-5-12)7-9-18-15-14-16(20-10-19-14)22-11-21-15/h1-5,10-11H,6-9H2,(H,17,23)(H2,18,19,20,21,22)	C16H18N6O	310.354	7	3	95.59	3	8	0	-1.162	2.27107	2.45	3.173	32.4669	92.9054	2.3507	269.201954955429
Cond-007390	NPD7417	NPD7417	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0003924544	[C@H]12CCCCN1CCC[C@H]2CNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O	InChI=1S/C24H32N2O4/c1-16-19-9-8-18(29-2)14-22(19)30-24(28)20(16)10-11-23(27)25-15-17-6-5-13-26-12-4-3-7-21(17)26/h8-9,14,17,21H,3-7,10-13,15H2,1-2H3,(H,25,27)/t17-,21+/m0/s1	C24H32N2O4	412.522	6	1	67.87	4	7	0	-1.1668	4.10057000000001	3.44	2.946	83.1776	119.6447	3.2322	404.66992993218
Cond-007391	NPD7418	NPD7418	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.170037414	[C@H]12CCCCN1CCC[C@H]2CNC(=O)Cn1ccc2c1cc(F)cc2	InChI=1S/C20H26FN3O/c21-17-7-6-15-8-11-24(19(15)12-17)14-20(25)22-13-16-4-3-10-23-9-2-1-5-18(16)23/h6-8,11-12,16,18H,1-5,9-10,13-14H2,(H,22,25)/t16-,18+/m0/s1	C20H26FN3O	343.438	4	1	37.27	4	5	0	-1.5486	3.80018	3.11	3.101	55.1075	101.1257	2.653	317.916089086303
Cond-007392	NPD7419	NPD7419	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4955652652	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	InChI=1S/C23H35N3O3/c1-23(2,3)29-22(28)25-15-17-9-11-18(12-10-17)21(27)24-16-19-7-6-14-26-13-5-4-8-20(19)26/h9-12,19-20H,4-8,13-16H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m0/s1	C23H35N3O3	401.542	6	2	70.67	3	9	0	-0.878500000000003	2.96409	3.33	3.975	79.7805	115.8829	3.284	404.573396215519
Cond-007393	NPD742	NPD742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	16.2002803151	Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12	InChI=1S/C25H19FO4/c1-16-21-12-11-20(29-15-23(27)18-7-9-19(26)10-8-18)14-24(21)30-25(28)22(16)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3	C25H19FO4	402.414	4	0	52.6	4	6	1	0.9437	5.57457	3.66	7.384	36.6728	115.2845	2.9332	368.421200787219
Cond-007394	NPD7420	NPD7420	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4223071087	[C@H]12CCCCN1CCC[C@H]2CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1	InChI=1S/C23H41N3O3/c1-23(2,3)29-22(28)25-15-17-9-11-18(12-10-17)21(27)24-16-19-7-6-14-26-13-5-4-8-20(19)26/h17-20H,4-16H2,1-3H3,(H,24,27)(H,25,28)/t17-,18-,19-,20+/m0/s1	C23H41N3O3	407.59	6	2	70.67	3	9	0	-0.306900000000002	3.29619	3.33	3.327	104.0121	117.4844	3.413	423.38277231792
Cond-007395	NPD7421	NPD7421	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1920671882	[C@H]12CCCCN1CCC[C@H]2CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1	InChI=1S/C24H37N3O3S/c28-24(25-18-21-7-6-16-27-15-5-4-10-23(21)27)20-13-11-19(12-14-20)17-26-31(29,30)22-8-2-1-3-9-22/h1-3,8-9,19-21,23,26H,4-7,10-18H2,(H,25,28)/t19-,20-,21-,23+/m0/s1	C24H37N3O3S	447.634	6	2	86.89	4	8	0	-2.193	3.89978000000001	3.33	3.627	86.8604	120.9634	3.5228	430.658404898986
Cond-007396	NPD7422	NPD7422	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1458098951	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1	InChI=1S/C22H33N3O3S/c26-22(23-17-19-7-6-14-24-13-5-4-10-21(19)24)18-11-15-25(16-12-18)29(27,28)20-8-2-1-3-9-20/h1-3,8-9,18-19,21H,4-7,10-17H2,(H,23,26)/t19-,21+/m0/s1	C22H33N3O3S	419.581	6	1	78.1	4	6	0	-3.4737	3.21578	3.11	2.918	76.7858	111.8097	3.241	396.066435647253
Cond-007397	NPD7423	NPD7423	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0422542581	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1	InChI=1S/C22H32ClN3O3S/c23-19-6-8-20(9-7-19)30(28,29)26-14-10-17(11-15-26)22(27)24-16-18-4-3-13-25-12-2-1-5-21(18)25/h6-9,17-18,21H,1-5,10-16H2,(H,24,27)/t18-,21+/m0/s1	C22H32ClN3O3S	454.026	6	1	78.1	4	6	0	-2.7294	3.86918	3	2.803	82.4014	116.8197	3.3634	411.277503417686
Cond-007398	NPD7424	NPD7424	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.373564271	[C@H]12CCCCN1CCC[C@H]2CNC(=O)COc1c(Cl)cc2c(CCC)cc(=O)oc2c1	InChI=1S/C24H31ClN2O4/c1-2-6-16-11-24(29)31-21-13-22(19(25)12-18(16)21)30-15-23(28)26-14-17-7-5-10-27-9-4-3-8-20(17)27/h11-13,17,20H,2-10,14-15H2,1H3,(H,26,28)/t17-,20+/m0/s1	C24H31ClN2O4	446.967	6	1	67.87	4	8	0	-1.5512	4.75397000000001	3.33	3.906	87.5625	124.6547	3.3546	419.880997702614
Cond-007399	NPD7425	NPD7425	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.6211506763	[C@H]12CCCCN1CCC[C@H]2CNC(=O)COc1c(Cl)cc2c(oc(=O)c(C)c2C)c1	InChI=1S/C23H29ClN2O4/c1-14-15(2)23(28)30-20-11-21(18(24)10-17(14)20)29-13-22(27)25-12-16-6-5-9-26-8-4-3-7-19(16)26/h10-11,16,19H,3-9,12-13H2,1-2H3,(H,25,27)/t16-,19+/m0/s1	C23H29ClN2O4	432.94	6	1	67.87	4	6	0	-0.181799999999999	4.36387000000001	3.22	3.054	83.746	120.0377	3.2137	402.585013076747
Cond-007400	NPD7426	NPD7426	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.8064676487	COc1cc2c([nH]cc2CCNC(=O)c2c(C)nc(s2)c2cc(OC)c(OC)c(OC)c2)cc1	InChI=1S/C25H27N3O5S/c1-14-23(34-25(28-14)16-10-20(31-3)22(33-5)21(11-16)32-4)24(29)26-9-8-15-13-27-19-7-6-17(30-2)12-18(15)19/h6-7,10-13,27H,8-9H2,1-5H3,(H,26,29)	C25H27N3O5S	481.564	8	2	122.94	4	10	0	0.0349000000000022	4.7263	3.22	2.896	62.6947	138.4197	3.5231	417.016090721175
Cond-007401	NPD7428	NPD7428	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0519086366	CCCCc1cc(=O)oc2cc(C)c3C(=O)CC(Oc3c12)c1ccc(OC)c(OC)c1OC	InChI=1S/C26H28O7/c1-6-7-8-15-12-21(28)32-20-11-14(2)22-17(27)13-19(33-26(22)23(15)20)16-9-10-18(29-3)25(31-5)24(16)30-4/h9-12,19H,6-8,13H2,1-5H3	C26H28O7	452.496	7	0	80.29	4	7	0	-0.334799999999999	6.26139	3.55	4.14	74.2641	129.7515	3.3615	424.829682766863
Cond-007402	NPD7429	NPD7429	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3344758117	CN(C)c1ccc(cc1)C1CC(=O)c2c(C)cc3oc(=O)c4c(CCC4)c3c2O1	InChI=1S/C24H23NO4/c1-13-11-20-22(16-5-4-6-17(16)24(27)29-20)23-21(13)18(26)12-19(28-23)14-7-9-15(10-8-14)25(2)3/h7-11,19H,4-6,12H2,1-3H3	C24H23NO4	389.444	5	0	55.84	5	2	0	0.248600000000001	5.10999	3.55	3.669	61.5182	115.3645	2.8948	362.507334920813
Cond-007403	NPD743	NPD743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.3549984525	COc1cc(COc2c3c(oc(=O)cc3c3ccccc3)cc(C)c2)cc(OC)c1OC	InChI=1S/C26H24O6/c1-16-10-20(31-15-17-12-22(28-2)26(30-4)23(13-17)29-3)25-19(18-8-6-5-7-9-18)14-24(27)32-21(25)11-16/h5-14H,15H2,1-4H3	C26H24O6	432.465	6	0	63.22	4	7	1	0.4185	4.88259	3.66	6.547	49.0959	123.154	3.2168	399.866538664702
Cond-007404	NPD7430	NPD7430	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.773449151	CCc1cc(=O)oc2cc(C)c3C(=O)CC(Oc3c12)c1cc2c(OCCO2)c(OC)c1	InChI=1S/C24H22O7/c1-4-13-10-20(26)30-17-7-12(2)21-15(25)11-16(31-24(21)22(13)17)14-8-18(27-3)23-19(9-14)28-5-6-29-23/h7-10,16H,4-6,11H2,1-3H3	C24H22O7	422.427	7	0	80.29	5	3	0	0.253	5.18048	3.33	2.792	66.0583	118.1375	2.9711	377.88125481433
Cond-007405	NPD7431	NPD7431	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1832762094	O=C(N1CCN(CC1)C(=O)c1cccc2c1cc[nH]2)c1cc2ccccc2[nH]1	InChI=1S/C22H20N4O2/c27-21(17-5-3-7-19-16(17)8-9-23-19)25-10-12-26(13-11-25)22(28)20-14-15-4-1-2-6-18(15)24-20/h1-9,14,23-24H,10-13H2	C22H20N4O2	372.42	6	2	72.2	5	4	0	-2.064	2.25199	3.22	2.995	40.3318	112.2905	2.752	318.888734191658
Cond-007406	NPD7432	NPD7432	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5145862222	O=C(NCCNC(=O)c1ccccc1)c1c[nH]c2ccccc12	InChI=1S/C18H17N3O2/c22-17(13-6-2-1-3-7-13)19-10-11-20-18(23)15-12-21-16-9-5-4-8-14(15)16/h1-9,12,21H,10-11H2,(H,19,22)(H,20,23)	C18H17N3O2	307.346	5	3	73.99	3	7	0	-1.6668	2.21938	2.89	4.152	27.6074	93.9019	2.3488	276.957411582423
Cond-007407	NPD7433	NPD7433	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.492556448	O=C(NCCNC(=O)c1cc2c([nH]cc2)cc1)c1c[nH]c2ccccc12	InChI=1S/C20H18N4O2/c25-19(14-5-6-17-13(11-14)7-8-21-17)22-9-10-23-20(26)16-12-24-18-4-2-1-3-15(16)18/h1-8,11-12,21,24H,9-10H2,(H,22,25)(H,23,26)	C20H18N4O2	346.383	6	4	89.78	4	7	0	-2.0872	2.21878	3	2.962	30.9074	106.1909	2.5788	296.653223640724
Cond-007408	NPD7434	NPD7434	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.346040135	O=C(NCCNC(=O)c1c[nH]c2c1cccc2)c1c[nH]c2ccccc12	InChI=1S/C20H18N4O2/c25-19(15-11-23-17-7-3-1-5-13(15)17)21-9-10-22-20(26)16-12-24-18-8-4-2-6-14(16)18/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)	C20H18N4O2	346.383	6	4	89.78	4	7	0	-2.0872	2.62397	3	3.602	30.9074	107.2319	2.5788	296.653223640724
Cond-007409	NPD7435	NPD7435	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.4705266738	O=C(NCCNC(=O)c1cc2c(cc[nH]2)cc1)c1c[nH]c2ccccc12	InChI=1S/C20H18N4O2/c25-19(14-6-5-13-7-8-21-18(13)11-14)22-9-10-23-20(26)16-12-24-17-4-2-1-3-15(16)17/h1-8,11-12,21,24H,9-10H2,(H,22,25)(H,23,26)	C20H18N4O2	346.383	6	4	89.78	4	7	0	-2.0872	2.62397	3	2.962	30.9074	107.2319	2.5788	296.653223640724
Cond-007410	NPD7436	NPD7436	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2215535962	COC(=O)c1c(C)nc2ccn(c3ccc(cc3)C(C)C)c(=O)c2c1	InChI=1S/C20H20N2O3/c1-12(2)14-5-7-15(8-6-14)22-10-9-18-17(19(22)23)11-16(13(3)21-18)20(24)25-4/h5-12H,1-4H3	C20H20N2O3	336.384	5	0	59.5	3	4	1	0.335599999999999	4.0182	3.11	5.038	48.9905	98.2405	2.5895	320.242847326552
Cond-007411	NPD7437	NPD7437	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7635592999	CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(OC4(CCCCC4)CC3)cc2oc1=O)C(=O)O	InChI=1S/C25H31NO6S/c1-15-17-12-16-6-10-25(8-4-3-5-9-25)32-20(16)14-21(17)31-24(30)18(15)13-22(27)26-19(23(28)29)7-11-33-2/h12,14,19H,3-11,13H2,1-2H3,(H,26,27)(H,28,29)/t19-/m0/s1	C25H31NO6S	473.582	7	2	127.23	4	8	0	-0.426699999999999	5.17236000000001	3.33	4.181	94.1967	132.9215	3.5112	444.422173107803
Cond-007412	NPD7438	NPD7438	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9343031318	O=C(COc1c2cc[nH]c2ccc1)NCCc1ccccc1	InChI=1S/C18H18N2O2/c21-18(20-11-9-14-5-2-1-3-6-14)13-22-17-8-4-7-16-15(17)10-12-19-16/h1-8,10,12,19H,9,11,13H2,(H,20,21)	C18H18N2O2	294.348	4	2	54.12	3	7	0	-1.1439	3.15838	3	4.655	26.0866	92.6857	2.292	268.597110075057
Cond-007413	NPD744	NPD744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	19.104859965	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCN1CCOCC1	InChI=1S/C28H43NO4/c1-19(30)23-6-7-24-22-5-4-20-18-21(33-26(31)10-13-29-14-16-32-17-15-29)8-11-27(20,2)25(22)9-12-28(23,24)3/h6,20-22,24-25H,4-5,7-18H2,1-3H3/t20-,21?,22?,24?,25?,27-,28+/m0/s1	C28H43NO4	457.645	5	0	55.84	5	6	1	0.613900000000002	4.94858000000001	3.99	5.592	126.4974	130.603	3.7164	469.310025629081
Cond-007414	NPD7440	NPD7440	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.172863666	CC(C)CCNC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C13H20N6O/c1-9(2)3-5-14-10(20)4-6-15-12-11-13(17-7-16-11)19-8-18-12/h7-9H,3-6H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)	C13H20N6O	276.337	7	3	95.59	2	8	0	-1.1327	2.07447	2.12	1.343	45.1945	82.2144	2.1656	248.479835881028
Cond-007415	NPD7441	NPD7441	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9119373777	O=C(CCNc1c2[nH]cnc2ncn1)NCc1ccco1	InChI=1S/C13H14N6O2/c20-10(15-6-9-2-1-5-21-9)3-4-14-12-11-13(17-7-16-11)19-8-18-12/h1-2,5,7-8H,3-4,6H2,(H,15,20)(H2,14,16,17,18,19)	C13H14N6O2	286.289	8	3	108.73	3	7	0	-1.5717	1.46287	2.01	0.367	29.6342	81.9774	2.0297	228.740686479189
Cond-007416	NPD7442	NPD7442	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0095672972	COc1ccccc1NC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C15H16N6O2/c1-23-11-5-3-2-4-10(11)21-12(22)6-7-16-14-13-15(18-8-17-13)20-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H2,16,17,18,19,20)	C15H16N6O2	312.327	8	3	104.82	3	7	0	-1.481	3.15956	2.23	1.373	30.6187	91.6164	2.2685	260.696197030123
Cond-007417	NPD7443	NPD7443	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7823439878	CC(C)c1ccc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C23H26N4O2/c1-15(2)16-7-9-17(10-8-16)25-22(28)13-24-23(29)27-12-11-19-18-5-3-4-6-20(18)26-21(19)14-27/h3-10,15,26H,11-14H2,1-2H3,(H,24,29)(H,25,28)	C23H26N4O2	390.478	6	3	77.23	4	7	0	-1.033	3.77957000000001	3.33	4.758	53.3901	118.7864	3.0445	362.077636219124
Cond-007418	NPD7444	NPD7444	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.044357469	Fc1ccccc1NC(=O)CNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C20H19FN4O2/c21-15-6-2-4-8-17(15)24-19(26)11-22-20(27)25-10-9-14-13-5-1-3-7-16(13)23-18(14)12-25/h1-8,23H,9-12H2,(H,22,27)(H,24,26)	C20H19FN4O2	366.389	6	3	77.23	4	6	0	-1.1262	2.79527	2.89	3.106	39.9948	104.6554	2.6395	316.25724119183
Cond-007419	NPD7445	NPD7445	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0319634703	Clc1cc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)ccc1	InChI=1S/C20H19ClN4O2/c21-13-4-3-5-14(10-13)23-19(26)11-22-20(27)25-9-8-16-15-6-1-2-7-17(15)24-18(16)12-25/h1-7,10,24H,8-9,11-12H2,(H,22,27)(H,23,26)	C20H19ClN4O2	382.843	6	3	77.23	4	6	0	-0.8616	3.30957	2.89	3.243	44.7379	109.7074	2.7442	325.400750111957
Cond-007420	NPD7446	NPD7446	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4333550772	CC(=O)c1ccc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C22H22N4O3/c1-14(27)15-6-8-16(9-7-15)24-21(28)12-23-22(29)26-11-10-18-17-4-2-3-5-19(17)25-20(18)13-26/h2-9,25H,10-13H2,1H3,(H,23,29)(H,24,28)	C22H22N4O3	390.435	7	3	94.3	4	7	0	-1.8598	2.85877	3.11	2.649	49.8927	114.7019	2.9193	350.935419593019
Cond-007421	NPD7447	NPD7447	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8686671015	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)NC1CCCC1	InChI=1S/C19H24N4O2/c24-18(21-13-5-1-2-6-13)11-20-19(25)23-10-9-15-14-7-3-4-8-16(14)22-17(15)12-23/h3-4,7-8,13,22H,1-2,5-6,9-12H2,(H,20,25)(H,21,24)	C19H24N4O2	340.419	6	3	77.23	4	6	0	-2.8083	1.47618	2.89	2.074	54.1666	99.7814	2.6099	311.703073818057
Cond-007422	NPD7448	NPD7448	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1398130028	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)NCc1ccco1	InChI=1S/C19H20N4O3/c24-18(20-10-13-4-3-9-26-13)11-21-19(25)23-8-7-15-14-5-1-2-6-16(14)22-17(15)12-23/h1-6,9,22H,7-8,10-12H2,(H,20,24)(H,21,25)	C19H20N4O3	352.387	7	3	90.37	4	7	0	-1.7484	0.96808	2.78	1.697	45.4536	101.6104	2.5826	304.320383117018
Cond-007423	NPD7449	NPD7449	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	59.7195042401	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)N1CCC(Cc2ccccc2)CC1	InChI=1S/C26H30N4O2/c31-25(29-13-10-20(11-14-29)16-19-6-2-1-3-7-19)17-27-26(32)30-15-12-22-21-8-4-5-9-23(21)28-24(22)18-30/h1-9,20,28H,10-18H2,(H,27,32)	C26H30N4O2	430.542	6	2	68.44	5	7	1	-2.1436	2.89868	3.66	5.805	61.9273	128.8327	3.3586	401.609131395925
Cond-007424	NPD745	NPD745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.5026608252	COc1ccccc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1	InChI=1S/C25H22O4/c1-17-21-13-12-20(28-16-19-10-6-7-11-23(19)27-2)15-24(21)29-25(26)22(17)14-18-8-4-3-5-9-18/h3-13,15H,14,16H2,1-2H3	C25H22O4	386.44	4	0	44.76	4	6	1	0.889399999999999	5.97737	3.77	7.707	37.9203	117.956	2.9585	364.990100637713
Cond-007425	NPD7450	NPD7450	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8804087845	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)N1CCN(Cc2ccccc2)CC1	InChI=1S/C25H29N5O2/c31-24(29-14-12-28(13-15-29)17-19-6-2-1-3-7-19)16-26-25(32)30-11-10-21-20-8-4-5-9-22(20)27-23(21)18-30/h1-9,27H,10-18H2,(H,26,32)	C25H29N5O2	431.53	7	2	71.68	5	7	0	-1.5347	1.42228	3.44	3.508	65.5813	126.9257	3.3175	395.309906978225
Cond-007426	NPD7452	NPD7452	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	15.5251141553	CC(C)CCCC(C)NC(=O)CNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C22H32N4O2/c1-15(2)7-6-8-16(3)24-21(27)13-23-22(28)26-12-11-18-17-9-4-5-10-19(17)25-20(18)14-26/h4-5,9-10,15-16,25H,6-8,11-14H2,1-3H3,(H,23,28)(H,24,27)	C22H32N4O2	384.515	6	3	77.23	3	10	0	-1.3525	2.74838	3.22	4.271	72.9617	115.6764	3.1412	375.947486396458
Cond-007427	NPD7453	NPD7453	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9778212655	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)NC1CC1	InChI=1S/C17H20N4O2/c22-16(19-11-5-6-11)9-18-17(23)21-8-7-13-12-3-1-2-4-14(12)20-15(13)10-21/h1-4,11,20H,5-10H2,(H,18,23)(H,19,22)	C17H20N4O2	312.366	6	3	77.23	4	6	0	-2.2323	0.69598	2.67	1.358	48.3434	90.5474	2.3281	277.111104566323
Cond-007428	NPD7454	NPD7454	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5740378343	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)NCc1ncccc1	InChI=1S/C20H21N5O2/c26-19(22-11-14-5-3-4-9-21-14)12-23-20(27)25-10-8-16-15-6-1-2-7-17(15)24-18(16)13-25/h1-7,9,24H,8,10-13H2,(H,22,26)(H,23,27)	C20H21N5O2	363.413	7	3	90.12	4	7	0	-1.5943	1.24918	2.89	2.079	43.8345	106.0174	2.7216	321.186442549691
Cond-007429	NPD7455	NPD7455	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8019134594	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)N1CCc2c1cccc2	InChI=1S/C22H22N4O2/c27-21(26-12-9-15-5-1-4-8-20(15)26)13-23-22(28)25-11-10-17-16-6-2-3-7-18(16)24-19(17)14-25/h1-8,24H,9-14H2,(H,23,28)	C22H22N4O2	374.436	6	2	68.44	5	5	0	-1.3387	2.53377	3.22	3.337	48.2863	112.3057	2.795	332.425192892458
Cond-007430	NPD7456	NPD7456	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1593824745	Clc1ccc2[nH]c3c(CCN(C3)C(=O)NCC(=O)NCCc3c[nH]c4c3cccc4)c2c1	InChI=1S/C24H24ClN5O2/c25-16-5-6-21-19(11-16)18-8-10-30(14-22(18)29-21)24(32)28-13-23(31)26-9-7-15-12-27-20-4-2-1-3-17(15)20/h1-6,11-12,27,29H,7-10,13-14H2,(H,26,31)(H,28,32)	C24H24ClN5O2	449.933	7	4	93.02	5	8	0	-1.0148	2.83427	3.22	2.987	57.2019	130.8784	3.256	379.688531421991
Cond-007431	NPD7457	NPD7457	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1372037399	Clc1ccccc1CNC(=O)CCCNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C23H25ClN4O2/c24-19-8-3-1-6-16(19)14-26-22(29)10-5-12-25-23(30)28-13-11-18-17-7-2-4-9-20(17)27-21(18)15-28/h1-4,6-9,27H,5,10-15H2,(H,25,30)(H,26,29)	C23H25ClN4O2	424.923	6	3	77.23	4	9	0	-0.8898	2.82788	3.22	3.913	57.0611	121.1594	3.1669	377.288703989558
Cond-007432	NPD7458	NPD7458	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.9502065666	Oc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc2oc(=O)ccc2c1	InChI=1S/C19H13N3O5/c23-16(20-12-6-7-15-11(9-12)5-8-17(24)27-15)10-22-18(25)13-3-1-2-4-14(13)21-19(22)26/h1-9H,10H2,(H,20,23)(H,21,26)	C19H13N3O5	363.324	8	2	108.3	4	4	0	-0.7646	2.70846	2.67	3.012	44.4577	102	2.4712	313.894700207574
Cond-007433	NPD7459	NPD7459	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.5377255925	COc1c(OC)c2c([nH]c(c2)C(=O)NCC(=O)Nc2ccc3OCOc3c2)cc1	InChI=1S/C20H19N3O6/c1-26-16-6-4-13-12(19(16)27-2)8-14(23-13)20(25)21-9-18(24)22-11-3-5-15-17(7-11)29-10-28-15/h3-8,23H,9-10H2,1-2H3,(H,21,25)(H,22,24)	C20H19N3O6	397.381	9	3	110.91	4	8	0	-2.2981	2.86967	2.67	1.309	44.8487	110.6884	2.7568	334.353828935602
Cond-007434	NPD746	NPD746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9600792615	Clc1ccc(cc1)C(=O)COc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C23H15ClO4/c24-17-8-6-16(7-9-17)21(25)14-27-18-10-11-19-20(15-4-2-1-3-5-15)13-23(26)28-22(19)12-18/h1-13H,14H2	C23H15ClO4	390.816	4	0	52.6	4	5	1	0.199	5.50437	3.44	7.137	32.4578	111.1175	2.7561	342.972740455613
Cond-007435	NPD7460	NPD7460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.3829093281	COc1cc2c(cc([nH]2)C(=O)N[C@@H](CCSC)C(=O)Nc2nccs2)cc1	InChI=1S/C18H20N4O3S2/c1-25-12-4-3-11-9-15(20-14(11)10-12)17(24)21-13(5-7-26-2)16(23)22-18-19-6-8-27-18/h3-4,6,8-10,13,20H,5,7H2,1-2H3,(H,21,24)(H,19,22,23)/t13-/m0/s1	C18H20N4O3S2	404.506	7	3	149.65	3	10	0	-0.8918	3.20978	2.45	2.638	57.7291	113.5444	2.8773	336.398905307152
Cond-007436	NPD7461	NPD7461	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.7640791476	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1	InChI=1S/C24H19NO6/c1-29-21-4-2-3-16-13-20(24(28)31-23(16)21)15-5-11-19(12-6-15)30-14-22(27)25-17-7-9-18(26)10-8-17/h2-13,26H,14H2,1H3,(H,25,27)	C24H19NO6	417.411	7	2	94.09	4	7	0	-1.3217	4.92106	3.33	4.442	38.8932	118.8665	2.9918	373.634870920335
Cond-007437	NPD7462	NPD7462	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.9019352033	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)Nc2cc(O)ccc2)cc1	InChI=1S/C24H19NO6/c1-29-21-7-2-4-16-12-20(24(28)31-23(16)21)15-8-10-19(11-9-15)30-14-22(27)25-17-5-3-6-18(26)13-17/h2-13,26H,14H2,1H3,(H,25,27)	C24H19NO6	417.411	7	2	94.09	4	7	0	-1.3217	4.92106	3.33	4.442	38.8932	118.8665	2.9918	373.634870920335
Cond-007438	NPD7464	NPD7464	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7262448358	COc1ccc(C2CC(=O)c3c(C)cc4oc(=O)c5c(CCC5)c4c3O2)c(OC)c1OC	InChI=1S/C25H24O7/c1-12-10-19-21(13-6-5-7-14(13)25(27)32-19)24-20(12)16(26)11-18(31-24)15-8-9-17(28-2)23(30-4)22(15)29-3/h8-10,18H,5-7,11H2,1-4H3	C25H24O7	436.454	7	0	80.29	5	4	0	-0.1246	5.62529	3.44	2.738	69.1742	123.0205	3.112	395.177239440197
Cond-007439	NPD7465	NPD7465	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6155686019	Cc1c(C2=NNC(C2)c2ccccc2)c(O)c2c(oc(=O)c(C)c2C)c1	InChI=1S/C21H20N2O3/c1-11-9-17-19(12(2)13(3)21(25)26-17)20(24)18(11)16-10-15(22-23-16)14-7-5-4-6-8-14/h4-9,15,22,24H,10H2,1-3H3	C21H20N2O3	348.395	5	2	70.92	4	2	1	0.909599999999999	4.20749	3.22	5.051	51.0912	105.2717	2.6218	325.182373251618
Cond-007440	NPD7466	NPD7466	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.1135029354	COc1c(O)c(c2nc(N)ncc2)c(OC)c2c1occ2	InChI=1S/C14H13N3O4/c1-19-11-7-4-6-21-12(7)13(20-2)10(18)9(11)8-3-5-16-14(15)17-8/h3-6,18H,1-2H3,(H2,15,16,17)	C14H13N3O4	287.271	7	3	103.63	3	3	0	-1.4679	3.51977	2.23	0.0710000000000001	23.0374	82.8264	1.9886	230.626843881678
Cond-007441	NPD7467	NPD7467	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9015003262	O=C(CCc1c[nH]c2ccccc12)N1CCN(CC1)C(=O)CCc1c[nH]c2c1cccc2	InChI=1S/C26H28N4O2/c31-25(11-9-19-17-27-23-7-3-1-5-21(19)23)29-13-15-30(16-14-29)26(32)12-10-20-18-28-24-8-4-2-6-22(20)24/h1-8,17-18,27-28H,9-16H2	C26H28N4O2	428.526	6	2	72.2	5	8	0	-1.8696	3.96587000000001	3.66	3.518	59.161	132.589	3.3156	388.072672695125
Cond-007442	NPD7468	NPD7468	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.400304414	COc1ccc(CCC(=O)N2CCN(CC2)C(=O)CCc2c[nH]c3ccccc23)cc1OC	InChI=1S/C26H31N3O4/c1-32-23-10-7-19(17-24(23)33-2)8-11-25(30)28-13-15-29(16-14-28)26(31)12-9-20-18-27-22-6-4-3-5-21(20)22/h3-7,10,17-18,27H,8-9,11-16H2,1-2H3	C26H31N3O4	449.542	7	1	74.87	4	10	0	-1.5528	3.57848000000001	3.55	2.976	70.4926	132.363	3.4848	420.54928328968
Cond-007443	NPD7469	NPD7469	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4768427919	O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)c1c[nH]c2c1cccc2	InChI=1S/C22H22N4O2/c27-21(10-9-15-13-25-19-7-3-1-5-16(15)19)23-11-12-24-22(28)18-14-26-20-8-4-2-6-17(18)20/h1-8,13-14,25-26H,9-12H2,(H,23,27)(H,24,28)	C22H22N4O2	374.436	6	4	89.78	4	9	0	-1.99	2.94297000000001	3.22	3.523	40.322	116.2294	2.8606	331.245192892458
Cond-007444	NPD747	NPD747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0452853898	COc1cc(COc2c3c(C)c(Cc4ccccc4)c(=O)oc3cc(C)c2)ccc1	InChI=1S/C26H24O4/c1-17-12-23(29-16-20-10-7-11-21(14-20)28-3)25-18(2)22(26(27)30-24(25)13-17)15-19-8-5-4-6-9-19/h4-14H,15-16H2,1-3H3	C26H24O4	400.466	4	0	44.76	4	6	1	1.5314	5.44989	3.88	7.819	43.4224	119.269	3.0994	382.28608526358
Cond-007445	NPD7470	NPD7470	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4959773864	O=C(CCCc1c[nH]c2c1cccc2)N1CCN(CC1)C(=O)Cc1c[nH]c2c1cccc2	InChI=1S/C26H28N4O2/c31-25(11-5-6-19-17-27-23-9-3-1-7-21(19)23)29-12-14-30(15-13-29)26(32)16-20-18-28-24-10-4-2-8-22(20)24/h1-4,7-10,17-18,27-28H,5-6,11-16H2	C26H28N4O2	428.526	6	2	72.2	5	8	0	-2.22	3.96587000000001	3.66	3.518	57.2072	132.589	3.3156	388.072672695125
Cond-007446	NPD7471	NPD7471	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7353772559	O=C(CCCc1c[nH]c2c1cccc2)N1CCN(CC1)C(=O)c1cc2c(cc[nH]2)cc1	InChI=1S/C25H26N4O2/c30-24(7-3-4-20-17-27-22-6-2-1-5-21(20)22)28-12-14-29(15-13-28)25(31)19-9-8-18-10-11-26-23(18)16-19/h1-2,5-6,8-11,16-17,26-27H,3-4,7,12-15H2	C25H26N4O2	414.5	6	2	72.2	5	7	0	-2.2548	3.77147000000001	3.55	3.315	52.658	127.987	3.1747	370.776688069258
Cond-007447	NPD7472	NPD7472	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1045879539	O=C(CCCc1c[nH]c2c1cccc2)N1CCN(CC1)C(=O)c1cccc2c1cc[nH]2	InChI=1S/C25H26N4O2/c30-24(10-3-5-18-17-27-22-8-2-1-6-19(18)22)28-13-15-29(16-14-28)25(31)21-7-4-9-23-20(21)11-12-26-23/h1-2,4,6-9,11-12,17,26-27H,3,5,10,13-16H2	C25H26N4O2	414.5	6	2	72.2	5	7	0	-2.2548	3.36628000000001	3.55	3.315	52.658	126.946	3.1747	370.776688069258
Cond-007448	NPD7473	NPD7473	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7571211133	O=C(CCCc1c[nH]c2c1cccc2)NCCNC(=O)c1c[nH]c2c1cccc2	InChI=1S/C23H24N4O2/c28-22(11-5-6-16-14-26-20-9-3-1-7-17(16)20)24-12-13-25-23(29)19-15-27-21-10-4-2-8-18(19)21/h1-4,7-10,14-15,26-27H,5-6,11-13H2,(H,24,28)(H,25,29)	C23H24N4O2	388.462	6	4	89.78	4	10	0	-2.278	3.33307000000001	3.33	3.881	43.2336	120.8464	3.0015	348.541177518324
Cond-007449	NPD7474	NPD7474	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7575559904	O=C(NCCNC(=O)c1c[nH]c2ccccc12)/C=C/c1ccccc1	InChI=1S/C20H19N3O2/c24-19(11-10-15-6-2-1-3-7-15)21-12-13-22-20(25)17-14-23-18-9-5-4-8-16(17)18/h1-11,14,23H,12-13H2,(H,21,24)(H,22,25)/b11-10+	C20H19N3O2	333.384	5	3	73.99	3	8	1	-1.3057	2.70177	3.11	5.39	37.8509	102.7719	2.5876	308.912922133357
Cond-007450	NPD7476	NPD7476	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0863231137	O=C(NCCNC(=O)c1cccnc1)c1c[nH]c2ccccc12	InChI=1S/C17H16N4O2/c22-16(12-4-3-7-18-10-12)19-8-9-20-17(23)14-11-21-15-6-2-1-5-13(14)15/h1-7,10-11,21H,8-9H2,(H,19,22)(H,20,23)	C17H16N4O2	308.335	6	3	86.88	3	7	0	-1.6668	1.61438	2.67	2.123	27.6074	91.6969	2.3077	270.658187164723
Cond-007451	NPD7477	NPD7477	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.3568166993	COc1c2c(C)c(CCC(=O)N3CCc4c(C3)cccc4)c(=O)oc2c2CCC(C)(C)Oc2c1	InChI=1S/C28H31NO5/c1-17-20(9-10-24(30)29-14-12-18-7-5-6-8-19(18)16-29)27(31)33-26-21-11-13-28(2,3)34-22(21)15-23(32-4)25(17)26/h5-8,15H,9-14,16H2,1-4H3	C28H31NO5	461.549	6	0	65.07	5	5	0	1.0749	5.56966000000001	3.88	4.969	82.4246	134.595	3.5171	440.481500124842
Cond-007452	NPD7478	NPD7478	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.661883018	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)O)cc1	InChI=1S/C18H14O6/c1-22-15-4-2-3-12-9-14(18(21)24-17(12)15)11-5-7-13(8-6-11)23-10-16(19)20/h2-9H,10H2,1H3,(H,19,20)	C18H14O6	326.3	6	1	82.06	3	5	0	-0.4664	3.06127	2.78	3.283	36.1064	89.5228	2.2842	290.028037760168
Cond-007453	NPD7479	NPD7479	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.6555772994	O=C(NCCc1c[nH]c2c1cccc2)c1nc(Cc2c[nH]c3c2cccc3)no1	InChI=1S/C22H19N5O2/c28-21(23-10-9-14-12-24-18-7-3-1-5-16(14)18)22-26-20(27-29-22)11-15-13-25-19-8-4-2-6-17(15)19/h1-8,12-13,24-25H,9-11H2,(H,23,28)	C22H19N5O2	385.419	7	3	99.6	5	7	0	-1.3001	3.68277	3.11	3.917	29.69	115.9927	2.8088	316.349035699024
Cond-007454	NPD748	NPD748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2658056247	O=C(COC(=O)c1c2CCCCCCCCCCc2nc2c1cccc2)c1ccccc1	InChI=1S/C28H31NO3/c30-26(21-14-8-7-9-15-21)20-32-28(31)27-22-16-10-5-3-1-2-4-6-11-18-24(22)29-25-19-13-12-17-23(25)27/h7-9,12-15,17,19H,1-6,10-11,16,18,20H2	C28H31NO3	429.551	4	0	56.26	4	5	1	-2.5427	6.86748000000001	4.1	9.589	48.8097	131.2045	3.4653	421.721046723719
Cond-007455	NPD7480	NPD7480	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.4429223744	OC(=O)/C(=C/c1cccc2c1NCC2)/CP(=O)(O)O	InChI=1S/C12H14NO5P/c14-12(15)10(7-19(16,17)18)6-9-3-1-2-8-4-5-13-11(8)9/h1-3,6,13H,4-5,7H2,(H,14,15)(H2,16,17,18)/b10-6+	C12H14NO5P	283.217	6	4	116.67	2	4	0	-0.8378	1.76978	2.01	0.172	44.5255	73.2806	1.9651	242.088210424572
Cond-007456	NPD7481	NPD7481	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1702544031	OP(=O)(O)Cc1nc2ccccc2[nH]1	InChI=1S/C8H9N2O3P/c11-14(12,13)5-8-9-6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,9,10)(H2,11,12,13)	C8H9N2O3P	212.142	5	3	96.02	2	2	0	-1.681	0.51749	1.68	1.562	17.5035	49.0881	1.4269	158.05703742895
Cond-007457	NPD7482	NPD7482	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5061969993	CCOC(=O)c1cc2c(oc1=O)c1c(C)oc(C)c1c(=O)cc2	InChI=1S/C17H14O6/c1-4-21-16(19)11-7-10-5-6-12(18)13-8(2)22-9(3)14(13)15(10)23-17(11)20/h5-7H,4H2,1-3H3	C17H14O6	314.289	6	0	82.81	3	3	0	1.0903	1.7299	2.67	1.644	68.7722	81.2565	2.1863	286.268511835101
Cond-007458	NPD7483	NPD7483	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1689497717	Nc1nc2c(C(CC(=O)N2)C(=O)O)c(O)n1	InChI=1S/C8H8N4O4/c9-8-11-5-4(6(14)12-8)2(7(15)16)1-3(13)10-5/h2H,1H2,(H,15,16)(H4,9,10,11,12,13,14)	C8H8N4O4	224.174	8	5	138.43	2	1	0	-2.1947	0.31907	1.46	-2.064	29.6183	57.0577	1.4376	177.277072437045
Cond-007459	NPD7484	NPD7484	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.7090671885	CC1(C)CC(CCO1)N1CCN(C2CCOC(C)(C)C2)C1=S	InChI=1S/C17H30N2O2S/c1-16(2)11-13(5-9-20-16)18-7-8-19(15(18)22)14-6-10-21-17(3,4)12-14/h13-14H,5-12H2,1-4H3	C17H30N2O2S	326.497	4	0	57.03	3	2	0	1.0322	2.8041	2.78	3.741	89.0791	92.116	2.6156	320.96536041239
Cond-007460	NPD7485	NPD7485	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3853011524	CC(=O)N(CCN(C1CCOC(C)(C)C1)C(=O)C)C1CCOC(C)(C)C1	InChI=1S/C20H36N2O4/c1-15(23)21(17-7-11-25-19(3,4)13-17)9-10-22(16(2)24)18-8-12-26-20(5,6)14-18/h17-18H,7-14H2,1-6H3	C20H36N2O4	368.511	6	0	59.08	2	7	0	-0.488999999999999	2.83249	3	1.954	96.8774	104.123	3.0578	381.644743633514
Cond-007461	NPD7486	NPD7486	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.456403566	CC1(C)CC(CCO1)N(CCN(C1CCOC(C)(C)C1)C(=O)c1ccccc1)C(=O)c1ccccc1	InChI=1S/C30H40N2O4/c1-29(2)21-25(15-19-35-29)31(27(33)23-11-7-5-8-12-23)17-18-32(26-16-20-36-30(3,4)22-26)28(34)24-13-9-6-10-14-24/h5-14,25-26H,15-22H2,1-4H3	C30H40N2O4	492.65	6	0	59.08	4	9	1	-0.508799999999999	5.15479000000001	4.1	7.446	86.0286	144.0845	3.9916	492.272920285781
Cond-007462	NPD7488	NPD7488	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.444661883	OCC(O)C(O)C(O)C(O)C1N2CC3(CN1CC(C2)(C3O)c1ccccc1)c1ccccc1	InChI=1S/C25H32N2O6/c28-11-18(29)19(30)20(31)21(32)22-26-12-24(16-7-3-1-4-8-16)13-27(22)15-25(14-26,23(24)33)17-9-5-2-6-10-17/h1-10,18-23,28-33H,11-15H2	C25H32N2O6	456.531	8	6	127.86	2	7	1	-3.5368	-1.3699	3.33	2.459	70.1526	120.2938	3.38190000000001	416.289909258369
Cond-007463	NPD7489	NPD7489	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.141335073	CN1C[C@]2(C)CN(CC(=O)N)C[C@](C)(C1)C2	InChI=1S/C12H23N3O/c1-11-5-12(2,7-14(3)6-11)9-15(8-11)4-10(13)16/h4-9H2,1-3H3,(H2,13,16)/t11-,12+	C12H23N3O	225.331	4	2	49.57	2	2	0	0.3391	0.36929	2.34	-0.238	63.1912	67.2054	1.8973	230.539405433861
Cond-007464	NPD7490	NPD7490	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1404653185	C[C@@]12CN(CC(=O)N)C[C@@](C)(CN(CC(=O)N)C1)C2	InChI=1S/C13H24N4O2/c1-12-5-13(2,8-16(6-12)3-10(14)18)9-17(7-12)4-11(15)19/h3-9H2,1-2H3,(H2,14,18)(H2,15,19)/t12-,13+	C13H24N4O2	268.355	6	4	92.66	2	4	0	-0.599800000000002	-0.77521	2.23	-1.584	69.498	75.3428	2.1537	264.985918267656
Cond-007465	NPD7491	NPD7491	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2167862579	COc1c(OC)cc(cc1)c1cc(=O)c2cc(NC(=O)c3cccnc3)ccc2o1	InChI=1S/C23H18N2O5/c1-28-20-7-5-14(10-22(20)29-2)21-12-18(26)17-11-16(6-8-19(17)30-21)25-23(27)15-4-3-9-24-13-15/h3-13H,1-2H3,(H,25,27)	C23H18N2O5	402.399	7	1	86.75	4	6	0	-1.242	4.25377	3.22	3.531	38.6094	115.1342	2.892	358.545419802074
Cond-007466	NPD7492	NPD7492	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.639486845	COc1ccc(cc1)c1cc(=O)c2cc(NC(=O)c3cc4c(o3)c(OC)ccc4)ccc2o1	InChI=1S/C26H19NO6/c1-30-18-9-6-15(7-10-18)23-14-20(28)19-13-17(8-11-21(19)32-23)27-26(29)24-12-16-4-3-5-22(31-2)25(16)33-24/h3-14H,1-2H3,(H,27,29)	C26H19NO6	441.432	7	1	87	5	6	0	-1.3961	5.53106	3.55	4.954	40.2285	129.2742	3.12200000000001	382.333922770469
Cond-007467	NPD7493	NPD7493	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.029571646	COc1cccc2c1oc(c2)C(=O)Nc1ccc2oc(cc(=O)c2c1)c1c(OC)cccc1	InChI=1S/C26H19NO6/c1-30-20-8-4-3-7-17(20)23-14-19(28)18-13-16(10-11-21(18)32-23)27-26(29)24-12-15-6-5-9-22(31-2)25(15)33-24/h3-14H,1-2H3,(H,27,29)	C26H19NO6	441.432	7	1	87	5	6	1	-1.3961	5.53106	3.55	5.165	40.2285	129.2742	3.12200000000001	382.333922770469
Cond-007468	NPD7494	NPD7494	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2685366384	COc1cccc2c1oc(c2)C(=O)Nc1ccc2oc(cc(=O)c2c1)c1cc(OC)c(OC)cc1	InChI=1S/C27H21NO7/c1-31-21-9-7-15(11-24(21)33-3)23-14-19(29)18-13-17(8-10-20(18)34-23)28-27(30)25-12-16-5-4-6-22(32-2)26(16)35-25/h4-14H,1-3H3,(H,28,30)	C27H21NO7	471.458	8	1	96.23	5	7	0	-1.4479	5.53966	3.55	4.51	47.5443	135.8262	3.3216	408.420134096896
Cond-007469	NPD7495	NPD7495	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8345292455	CC(C)CCCC(C)NC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C16H26N6O/c1-11(2)5-4-6-12(3)22-13(23)7-8-17-15-14-16(19-9-18-14)21-10-20-15/h9-12H,4-8H2,1-3H3,(H,22,23)(H2,17,18,19,20,21)	C16H26N6O	318.417	7	3	95.59	2	10	0	-1.1758	3.24317000000001	2.45	2.941	57.1423	96.0434	2.5883	300.367789758629
Cond-007470	NPD7496	NPD7496	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5416394868	COc1ccc(NC(=O)CCNc2c3[nH]cnc3ncn2)cc1	InChI=1S/C15H16N6O2/c1-23-11-4-2-10(3-5-11)21-12(22)6-7-16-14-13-15(18-8-17-13)20-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H2,16,17,18,19,20)	C15H16N6O2	312.327	8	3	104.82	3	7	0	-1.481	3.15956	2.23	1.373	30.6187	91.6164	2.2685	260.696197030123
Cond-007471	NPD7497	NPD7497	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5092411394	CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C22H23N5O3/c1-14(28)24-15-6-8-16(9-7-15)25-21(29)12-23-22(30)27-11-10-18-17-4-2-3-5-19(17)26-20(18)13-27/h2-9,26H,10-13H2,1H3,(H,23,30)(H,24,28)(H,25,29)	C22H23N5O3	405.45	8	4	106.33	4	8	0	-2.2308	2.61457	3	2.393	51.9882	119.0011	3.0191	361.932179801186
Cond-007472	NPD7498	NPD7498	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7477712546	NC(=O)C1CCN(CC1)C(=O)CNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C20H25N5O3/c21-19(27)13-5-8-24(9-6-13)18(26)11-22-20(28)25-10-7-15-14-3-1-2-4-16(14)23-17(15)12-25/h1-4,13,23H,5-12H2,(H2,21,27)(H,22,28)	C20H25N5O3	383.444	8	4	111.53	4	6	0	-2.9382	0.77718	2.78	0.145	65.433	108.2701	2.8663	346.149586651852
Cond-007473	NPD75	NPD75	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2321741306	CCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCC)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C	InChI=1S/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3/t20-,23?,24?,25?,29+,30+,31+,32+/m1/s1	C32H45FO7	560.694	7	1	106.97	4	12	1	-1.1854	5.46417000000001	4.1	4.971	141.2917	149.4438	4.3536	564.38252547477
Cond-007474	NPD7500	NPD7500	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3033268102	Fc1cc2c([nH]cc2CCNC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C24H24FN5O2/c25-16-5-6-20-19(11-16)15(12-27-20)7-9-26-23(31)13-28-24(32)30-10-8-18-17-3-1-2-4-21(17)29-22(18)14-30/h1-6,11-12,27,29H,7-10,13-14H2,(H,26,31)(H,28,32)	C24H24FN5O2	433.478	7	4	93.02	5	8	0	-1.2794	2.31997	3.22	2.85	52.4588	125.8264	3.1513	370.545022501864
Cond-007475	NPD7501	NPD7501	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1843879104	CC(=O)Nc1cc(NC(=O)CNC(=O)N2CCc3c(C2)[nH]c2ccccc32)ccc1	InChI=1S/C22H23N5O3/c1-14(28)24-15-5-4-6-16(11-15)25-21(29)12-23-22(30)27-10-9-18-17-7-2-3-8-19(17)26-20(18)13-27/h2-8,11,26H,9-10,12-13H2,1H3,(H,23,30)(H,24,28)(H,25,29)	C22H23N5O3	405.45	8	4	106.33	4	8	0	-2.2308	2.61457	3	2.393	51.9882	119.0011	3.0191	361.932179801186
Cond-007476	NPD7502	NPD7502	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5846923244	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)Nc1cc2c([nH]cc2)cc1	InChI=1S/C22H21N5O2/c28-21(25-15-5-6-18-14(11-15)7-9-23-18)12-24-22(29)27-10-8-17-16-3-1-2-4-19(16)26-20(17)13-27/h1-7,9,11,23,26H,8,10,12-13H2,(H,24,29)(H,25,28)	C22H21N5O2	387.434	7	4	93.02	5	6	0	-2.0263	2.65557	3.11	2.59	42.4223	116.9864	2.8518	329.885494399824
Cond-007477	NPD7503	NPD7503	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.5296803653	NC(=O)C1CCN(CC1)C(=O)CCCNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C22H29N5O3/c23-21(29)15-7-11-26(12-8-15)20(28)6-3-10-24-22(30)27-13-9-17-16-4-1-2-5-18(16)25-19(17)14-27/h1-2,4-5,15,25H,3,6-14H2,(H2,23,29)(H,24,30)	C22H29N5O3	411.497	8	4	111.53	4	8	0	-2.978	1.55738	3	0.661	73.044	117.5041	3.1481	380.741555903586
Cond-007478	NPD7504	NPD7504	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2694063927	CC(=O)c1ccc(NC(=O)CCCNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C24H26N4O3/c1-16(29)17-8-10-18(11-9-17)26-23(30)7-4-13-25-24(31)28-14-12-20-19-5-2-3-6-21(19)27-22(20)15-28/h2-3,5-6,8-11,27H,4,7,12-15H2,1H3,(H,25,31)(H,26,30)	C24H26N4O3	418.488	7	3	94.3	4	9	0	-1.8996	3.63897	3.33	3.165	57.5037	123.9359	3.2011	385.527388844752
Cond-007479	NPD7505	NPD7505	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.9597738639	CC(C)CCCC(C)NC(=O)CCCNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C24H36N4O2/c1-17(2)8-6-9-18(3)26-23(29)12-7-14-25-24(30)28-15-13-20-19-10-4-5-11-21(19)27-22(20)16-28/h4-5,10-11,17-18,27H,6-9,12-16H2,1-3H3,(H,25,30)(H,26,29)	C24H36N4O2	412.568	6	3	77.23	3	12	1	-1.3923	3.52858000000001	3.44	4.787	80.5727	124.9104	3.423	410.539455648192
Cond-007480	NPD7506	NPD7506	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.974994564	CC(=O)Nc1cc(NC(=O)CCCNC(=O)N2CCc3c(C2)[nH]c2ccccc32)ccc1	InChI=1S/C24H27N5O3/c1-16(30)26-17-6-4-7-18(14-17)27-23(31)10-5-12-25-24(32)29-13-11-20-19-8-2-3-9-21(19)28-22(20)15-29/h2-4,6-9,14,28H,5,10-13,15H2,1H3,(H,25,32)(H,26,30)(H,27,31)	C24H27N5O3	433.503	8	4	106.33	4	10	0	-2.2706	3.39477000000001	3.22	2.909	59.5992	128.2351	3.3009	396.524149052919
Cond-007481	NPD7507	NPD7507	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1928680148	O=C(CCCNC(=O)N1CCc2c(C1)[nH]c1ccccc21)Nc1cc2c([nH]cc2)cc1	InChI=1S/C24H25N5O2/c30-23(27-17-7-8-20-16(14-17)9-12-25-20)6-3-11-26-24(31)29-13-10-19-18-4-1-2-5-21(18)28-22(19)15-29/h1-2,4-5,7-9,12,14,25,28H,3,6,10-11,13,15H2,(H,26,31)(H,27,30)	C24H25N5O2	415.488	7	4	93.02	5	8	0	-2.0661	3.43577000000001	3.33	3.106	50.0333	126.2204	3.1336	364.477463651558
Cond-007482	NPD7508	NPD7508	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6792781039	COc1cc(OC)c(OC)cc1/C=C/C(=O)c1c(C)cc2oc(=O)c3c(CCC3)c2c1O	InChI=1S/C25H24O7/c1-13-10-21-23(15-6-5-7-16(15)25(28)32-21)24(27)22(13)17(26)9-8-14-11-19(30-3)20(31-4)12-18(14)29-2/h8-12,27H,5-7H2,1-4H3/b9-8+	C25H24O7	436.454	7	1	91.29	4	6	0	-0.0541000000000022	4.99318	3.44	3.431	72.4161	123.4805	3.1776	404.897239440197
Cond-007483	NPD7509	NPD7509	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6466623179	COc1cc(OC)c(cc1OC)C1CC(=O)c2c(C)cc3oc(=O)c4c(CCCC4)c3c2O1	InChI=1S/C26H26O7/c1-13-9-22-24(14-7-5-6-8-15(14)26(28)33-22)25-23(13)17(27)11-19(32-25)16-10-20(30-3)21(31-4)12-18(16)29-2/h9-10,12,19H,5-8,11H2,1-4H3	C26H26O7	450.48	7	0	80.29	5	4	0	-0.412600000000001	6.01539	3.55	3.307	72.0858	127.6375	3.2529	412.473224066063
Cond-007484	NPD751	NPD751	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9483676147	COc1ccc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1	InChI=1S/C25H22O4/c1-17-22-13-12-21(28-16-19-8-10-20(27-2)11-9-19)15-24(22)29-25(26)23(17)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3	C25H22O4	386.44	4	0	44.76	4	6	1	0.889399999999999	5.42187	3.77	7.496	37.9203	115.629	2.9585	364.990100637713
Cond-007485	NPD7510	NPD7510	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5364209611	COc1cc(C2CC(=O)c3c(C)cc4oc(=O)c5c(CCCC5)c4c3O2)c(OC)cc1	InChI=1S/C25H24O6/c1-13-10-21-23(15-6-4-5-7-16(15)25(27)31-21)24-22(13)18(26)12-20(30-24)17-11-14(28-2)8-9-19(17)29-3/h8-11,20H,4-7,12H2,1-3H3	C25H24O6	420.454	6	0	71.06	5	3	0	-0.3608	6.00679	3.55	3.751	64.77	121.0855	3.0533	386.387012739636
Cond-007486	NPD7512	NPD7512	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	20.4066101326	COc1cc2c([nH]cc2CCNC(=O)Cc2csc(n2)c2ccc(cc2)C(C)C)cc1	InChI=1S/C25H27N3O2S/c1-16(2)17-4-6-18(7-5-17)25-28-20(15-31-25)12-24(29)26-11-10-19-14-27-23-9-8-21(30-3)13-22(19)23/h4-9,13-16,27H,10-12H2,1-3H3,(H,26,29)	C25H27N3O2S	433.566	5	2	95.25	4	9	1	0.3585	5.93557000000001	3.55	6.141	53.8318	133.5487	3.347	390.645410619491
Cond-007487	NPD7513	NPD7513	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.4664057404	COc1cc2c([nH]c(c2)C(=O)N[C@@H](C)C(=O)Nc2ncc(C)s2)c(OC)c1OC	InChI=1S/C19H22N4O5S/c1-9-8-20-19(29-9)23-17(24)10(2)21-18(25)12-6-11-7-13(26-3)15(27-4)16(28-5)14(11)22-12/h6-8,10,22H,1-5H3,(H,21,25)(H,20,23,24)/t10-/m0/s1	C19H22N4O5S	418.467	9	3	142.81	3	9	0	-0.921100000000001	2.53489	2.45	0.891	62.8779	111.8424	2.9721	352.766319276541
Cond-007488	NPD7514	NPD7514	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3022396173	OC[C@H](Cc1ccccc1)NC(=O)COc1ccc(cc1)c1cc2ccccc2oc1=O	InChI=1S/C26H23NO5/c28-16-21(14-18-6-2-1-3-7-18)27-25(29)17-31-22-12-10-19(11-13-22)23-15-20-8-4-5-9-24(20)32-26(23)30/h1-13,15,21,28H,14,16-17H2,(H,27,29)/t21-/m0/s1	C26H23NO5	429.465	6	2	84.86	4	9	1	-1.2463	3.68787000000001	3.66	6.744	44.5529	124.4975	3.2149	399.436613471508
Cond-007489	NPD7515	NPD7515	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.9404218308	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)NCCc2ccc(O)cc2)cc1	InChI=1S/C26H23NO6/c1-31-23-4-2-3-19-15-22(26(30)33-25(19)23)18-7-11-21(12-8-18)32-16-24(29)27-14-13-17-5-9-20(28)10-6-17/h2-12,15,28H,13-14,16H2,1H3,(H,27,29)	C26H23NO6	445.464	7	2	94.09	4	9	0	-1.0545	4.04117	3.55	4.743	48.0572	126.7075	3.2736	408.226840172069
Cond-007490	NPD7516	NPD7516	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0941509024	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)N[C@@H](C)CO)cc1	InChI=1S/C21H21NO6/c1-13(11-23)22-19(24)12-27-16-8-6-14(7-9-16)17-10-15-4-3-5-18(26-2)20(15)28-21(17)25/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1	C21H21NO6	383.395	7	2	94.09	3	8	0	-1.3092	2.47367	3	2.824	52.902	106.5775	2.8067	352.912751845935
Cond-007491	NPD7517	NPD7517	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6494890194	COCC(O)CNC(=O)COc1ccc(cc1)c1cc2cccc(OC)c2oc1=O	InChI=1S/C22H23NO7/c1-27-12-16(24)11-23-20(25)13-29-17-8-6-14(7-9-17)18-10-15-4-3-5-19(28-2)21(15)30-22(18)26/h3-10,16,24H,11-13H2,1-2H3,(H,23,25)	C22H23NO7	413.421	8	2	103.32	3	10	0	-1.4007	2.10017	3	2.211	59.0313	112.7795	3.0063	378.998963172363
Cond-007492	NPD7518	NPD7518	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.4840182648	COc1c2oc(=O)c(cc2ccc1)c1ccc(OCC(=O)NC(C)Cc2ccco2)cc1	InChI=1S/C25H23NO6/c1-16(13-20-6-4-12-30-20)26-23(27)15-31-19-10-8-17(9-11-19)21-14-18-5-3-7-22(29-2)24(18)32-25(21)28/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)	C25H23NO6	433.453	7	1	87	4	9	0	-0.759000000000001	4.31707	3.44	4.773	51.6961	121.9037	3.1757	393.567314247002
Cond-007493	NPD7519	NPD7519	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8569254186	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)N2CCC[C@H]2CO)cc1	InChI=1S/C23H23NO6/c1-28-19-8-9-21-16(11-19)12-20(23(27)30-21)15-4-6-18(7-5-15)29-14-22(26)24-10-2-3-17(24)13-25/h4-9,11-12,17,25H,2-3,10,13-14H2,1H3/t17-/m0/s1	C23H23NO6	409.432	7	1	85.3	4	7	0	-1.9249	2.95997000000001	3.22	3.049	57.5387	113.7078	2.9799	375.148262396869
Cond-007494	NPD752	NPD752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1802950621	COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1	InChI=1S/C27H32N4O5S/c1-28-24(33)27(25(34)29(2)26(28)37,12-18-8-9-20(35-3)11-22(18)36-4)16-30-13-17-10-19(15-30)21-6-5-7-23(32)31(21)14-17/h5-9,11,17,19H,10,12-16H2,1-4H3/t17-,19+/m0/s1	C27H32N4O5S	524.632	9	0	114.72	5	6	0	-0.531100000000004	1.76827	3.33	0.507	120.6121	143.497	3.8391	485.584820181075
Cond-007495	NPD7520	NPD7520	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2813655142	O=C(NCCNC(=O)c1cccc2c1cc[nH]2)c1c[nH]c2ccccc12	InChI=1S/C20H18N4O2/c25-19(15-5-3-7-17-14(15)8-9-21-17)22-10-11-23-20(26)16-12-24-18-6-2-1-4-13(16)18/h1-9,12,21,24H,10-11H2,(H,22,25)(H,23,26)	C20H18N4O2	346.383	6	4	89.78	4	7	0	-2.0872	2.21878	3	2.962	30.9074	106.1909	2.5788	296.653223640724
Cond-007496	NPD7521	NPD7521	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9108501848	Cc1c2C(=O)CC(Oc2c2c(oc(=O)c3c2CCCC3)c1)c1cc2c(OCO2)cc1	InChI=1S/C24H20O6/c1-12-8-20-22(14-4-2-3-5-15(14)24(26)30-20)23-21(12)16(25)10-18(29-23)13-6-7-17-19(9-13)28-11-27-17/h6-9,18H,2-5,10-11H2,1H3	C24H20O6	404.412	6	0	71.06	6	1	0	-0.5599	5.66358	3.44	3.678	57.6105	113.8385	2.8038	356.734569412969
Cond-007497	NPD7522	NPD7522	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0737116765	COc1ccc2c(C)c(CCC(=O)N3CCCC(C3)C(=O)O)c(=O)oc2c1OC	InChI=1S/C21H25NO7/c1-12-14-6-8-16(27-2)19(28-3)18(14)29-21(26)15(12)7-9-17(23)22-10-4-5-13(11-22)20(24)25/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,24,25)	C21H25NO7	403.426	8	1	102.37	3	7	0	-0.407399999999998	3.05167	2.89	1.068	78.7886	108.1908	2.9514	377.875895948096
Cond-007498	NPD7524	NPD7524	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.347901718	COc1c2nc(C)cc(NC(=O)c3cccnc3)c2ccc1	InChI=1S/C17H15N3O2/c1-11-9-14(20-17(21)12-5-4-8-18-10-12)13-6-3-7-15(22-2)16(13)19-11/h3-10H,1-2H3,(H,19,20,21)	C17H15N3O2	293.32	5	1	64.11	3	4	0	-0.2471	3.89239	2.78	2.833	20.4898	88.4307	2.2079	259.661426956556
Cond-007499	NPD7525	NPD7525	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0104370515	COCc1ccc(o1)C(=O)Nc1cc(C)nc2c(OC)cccc12	InChI=1S/C18H18N2O4/c1-11-9-14(13-5-4-6-15(23-3)17(13)19-11)20-18(21)16-8-7-12(24-16)10-22-2/h4-9H,10H2,1-3H3,(H,19,20,21)	C18H18N2O4	326.347	6	1	73.59	3	6	0	-0.4414	3.87809	2.78	2.723	34.1369	95.2877	2.4094	286.177563476179
Cond-007500	NPD7526	NPD7526	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4996738421	COc1cccc(c1)C(=O)Nc1cc(C)nc2c(OC)cccc12	InChI=1S/C19H18N2O3/c1-12-10-16(15-8-5-9-17(24-3)18(15)20-12)21-19(22)13-6-4-7-14(11-13)23-2/h4-11H,1-3H3,(H,20,21,22)	C19H18N2O3	322.358	5	1	60.45	3	5	0	-0.298900000000001	4.50599	3	3.785	27.8056	97.1877	2.4486	292.046862700685
Cond-007501	NPD7527	NPD7527	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.889323766	CC(Cc1ccco1)NC(=O)COc1c2cc[nH]c2ccc1	InChI=1S/C17H18N2O3/c1-12(10-13-4-3-9-21-13)19-17(20)11-22-16-6-2-5-15-14(16)7-8-18-15/h2-9,12,18H,10-11H2,1H3,(H,19,20)	C17H18N2O3	298.336	5	2	67.26	3	7	0	-1.3087	3.13988	2.78	2.667	32.2901	89.5467	2.2528	262.727810850551
Cond-007502	NPD7528	NPD7528	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.82626658	O=C(CCNc1c2[nH]cnc2ncn1)NCc1cnccc1	InChI=1S/C14H15N7O/c22-11(17-7-10-2-1-4-15-6-10)3-5-16-13-12-14(19-8-18-12)21-9-20-13/h1-2,4,6,8-9H,3,5,7H2,(H,17,22)(H2,16,18,19,20,21)	C14H15N7O	297.315	8	3	108.48	3	7	0	-1.4176	1.28407	2.12	0.364	28.0151	85.0774	2.1687	245.606745911862
Cond-007503	NPD7529	NPD7529	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.510980648	CC(C)NC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C11H16N6O/c1-7(2)17-8(18)3-4-12-10-9-11(14-5-13-9)16-6-15-10/h5-7H,3-4H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)	C11H16N6O	248.284	7	3	95.59	2	6	0	-1.377	1.43677	1.9	0.368	38.4982	73.0284	1.8838	213.887866629295
Cond-007504	NPD753	NPD753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8194351625	COc1ccc(cc1)c1coc2c1cc1c(oc(=O)cc1c1ccc(OC)cc1)c2	InChI=1S/C25H18O5/c1-27-17-7-3-15(4-8-17)19-12-25(26)30-24-13-23-21(11-20(19)24)22(14-29-23)16-5-9-18(28-2)10-6-16/h3-14H,1-2H3	C25H18O5	398.407	5	0	57.9	5	4	1	-0.1833	6.06807	3.66	5.385	31.5658	119.036	2.8656	347.887409936674
Cond-007505	NPD7530	NPD7530	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.45727332	OCCNC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C10H14N6O2/c17-4-3-11-7(18)1-2-12-9-8-10(14-5-13-8)16-6-15-9/h5-6,17H,1-4H2,(H,11,18)(H2,12,13,14,15,16)	C10H14N6O2	250.257	8	4	115.82	2	7	0	-1.8663	0.0206699999999995	1.68	-1.224	35.2919	69.8452	1.8016	205.382108703989
Cond-007506	NPD7531	NPD7531	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.241356817	O=C(CNC(=O)N1CCc2c(C1)[nH]c1ccccc21)Nc1ccc2OCOc2c1	InChI=1S/C21H20N4O4/c26-20(23-13-5-6-18-19(9-13)29-12-28-18)10-22-21(27)25-8-7-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-6,9,24H,7-8,10-12H2,(H,22,27)(H,23,26)	C21H20N4O4	392.408	8	3	95.69	5	6	0	-1.9086	2.88566	2.89	2.186	46.5944	112.8814	2.7715	332.709661667713
Cond-007507	NPD7532	NPD7532	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0537073277	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3ccco3)c2c1	InChI=1S/C17H16N2O3/c1-21-11-4-5-14-12(9-11)13-10-19(7-6-15(13)18-14)17(20)16-3-2-8-22-16/h2-5,8-9,18H,6-7,10H2,1H3	C17H16N2O3	296.321	5	1	58.47	4	3	0	-1.5259	2.52018	2.78	2.071	32.0124	85.742	2.1442	250.371352149751
Cond-007508	NPD7533	NPD7533	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.0054359643	COc1ccc2[nH]c3c(CN(CC3)C(=O)/C=C/c3ccccc3)c2c1	InChI=1S/C21H20N2O2/c1-25-16-8-9-19-17(13-16)18-14-23(12-11-20(18)22-19)21(24)10-7-15-5-3-2-4-6-15/h2-10,13,22H,11-12,14H2,1H3/b10-7+	C21H20N2O2	332.396	4	1	45.33	4	4	1	-1.0107	3.40957	3.33	5.332	40.6368	102.346	2.5631	305.492146551057
Cond-007509	NPD7534	NPD7534	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.2030876277	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3cc4c(cc(OC)cc4OC)n3C)c2c1	InChI=1S/C24H25N3O4/c1-26-21-10-15(30-3)11-23(31-4)17(21)12-22(26)24(28)27-8-7-20-18(13-27)16-9-14(29-2)5-6-19(16)25-20/h5-6,9-12,25H,7-8,13H2,1-4H3	C24H25N3O4	419.473	7	1	68.72	5	5	0	-1.3599	3.84127000000001	3.33	2.643	53.6196	124.098	3.0944	362.700855337147
Cond-007510	NPD7536	NPD7536	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.9436583217	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3cc4c(n3C)c(OC)ccc4OC)c2c1	InChI=1S/C24H25N3O4/c1-26-20(12-16-21(30-3)7-8-22(31-4)23(16)26)24(28)27-10-9-19-17(13-27)15-11-14(29-2)5-6-18(15)25-19/h5-8,11-12,25H,9-10,13H2,1-4H3	C24H25N3O4	419.473	7	1	68.72	5	5	0	-1.3599	4.34206000000001	3.33	2.643	53.6196	126.159	3.0944	362.700855337147
Cond-007511	NPD7537	NPD7537	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.0683149329	COc1ccc2[nH]c3c(CN(CC3)C(=O)/C=C/c3ccco3)c2c1	InChI=1S/C19H18N2O3/c1-23-14-4-6-17-15(11-14)16-12-21(9-8-18(16)20-17)19(22)7-5-13-3-2-10-24-13/h2-7,10-11,20H,8-9,12H2,1H3/b7-5+	C19H18N2O3	322.358	5	1	58.47	4	4	0	-1.1648	3.00257	3	2.676	42.2559	94.612	2.383	282.326862700685
Cond-007512	NPD7538	NPD7538	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	46.2343855284	COc1ccc2[nH]c3c(CN(CC3)C(=O)/C=C/c3ccc4OCOc4c3)c2c1	InChI=1S/C22H20N2O4/c1-26-15-4-5-18-16(11-15)17-12-24(9-8-19(17)23-18)22(25)7-3-14-2-6-20-21(10-14)28-13-27-20/h2-7,10-11,23H,8-9,12-13H2,1H3/b7-3+	C22H20N2O4	376.405	6	1	63.79	5	4	0	-1.3134	3.63906	3.22	3.105	48.1089	110.53	2.7128	328.012125877246
Cond-007513	NPD7539	NPD7539	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	57.8448141813	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3c(C)n(C)c4c3cc(OC)c(Br)c4)c2c1	InChI=1S/C24H24BrN3O3/c1-13-23(16-10-22(31-4)18(25)11-21(16)27(13)2)24(29)28-8-7-20-17(12-28)15-9-14(30-3)5-6-19(15)26-20/h5-6,9-11,26H,7-8,12H2,1-4H3	C24H24BrN3O3	482.37	6	1	59.49	5	4	0	0.0202000000000003	4.62319	3.33	3.63	60.6354	128.886	3.2107	373.194247614152
Cond-007514	NPD754	NPD754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	21.5424343249	COc1c(OC)c2c(cc1)C(Nc1cc3c(oc(=O)cc3)cc1)OC2=O	InChI=1S/C19H15NO6/c1-23-14-7-5-12-16(17(14)24-2)19(22)26-18(12)20-11-4-6-13-10(9-11)3-8-15(21)25-13/h3-9,18,20H,1-2H3	C19H15NO6	353.325	7	1	83.09	4	4	0	-0.2129	3.12797	2.78	3.318	43.936	95.9002	2.4163	305.964323893401
Cond-007515	NPD7540	NPD7540	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.1842118903	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3cc4c(o3)cccc4)c2c1	InChI=1S/C21H18N2O3/c1-25-14-6-7-17-15(11-14)16-12-23(9-8-18(16)22-17)21(24)20-10-13-4-2-3-5-19(13)26-20/h2-7,10-11,22H,8-9,12H2,1H3	C21H18N2O3	346.379	5	1	58.47	5	3	0	-1.5259	3.59947	3.22	3.699	32.0124	105.411	2.5132	291.025914550818
Cond-007516	NPD7541	NPD7541	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.9797854144	Brc1c2[nH]c3c(CN(CC3)C(=O)c3ccco3)c2ccc1	InChI=1S/C16H13BrN2O2/c17-12-4-1-3-10-11-9-19(7-6-13(11)18-15(10)12)16(20)14-5-2-8-21-14/h1-5,8,18H,6-7,9H2	C16H13BrN2O2	345.191	4	1	49.24	4	2	0	-0.5853	3.27408	2.67	2.949	33.2957	86.89	2.1196	243.568759800889
Cond-007517	NPD7542	NPD7542	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.0017104649	Brc1c2[nH]c3c(CN(CC3)C(=O)c3ccc4OCOc4c3)c2ccc1	InChI=1S/C19H15BrN2O3/c20-14-3-1-2-12-13-9-22(7-6-15(13)21-18(12)14)19(23)11-4-5-16-17(8-11)25-10-24-16/h1-5,8,21H,6-7,9-10H2	C19H15BrN2O3	399.238	5	1	54.56	5	2	0	-0.7339	3.91057	2.89	3.378	39.1487	102.808	2.4494	289.254022977451
Cond-007518	NPD7543	NPD7543	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0403773389	COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc2c1=O	InChI=1S/C25H27NO8/c1-16-25(34-20-9-6-5-8-19(20)31-2)24(30)18-12-11-17(14-21(18)33-16)32-15-22(27)26-13-7-3-4-10-23(28)29/h5-6,8-9,11-12,14H,3-4,7,10,13,15H2,1-2H3,(H,26,27)(H,28,29)	C25H27NO8	469.484	9	2	120.39	3	13	1	-2.6582	5.38325000000001	3.22	3.813	69.4446	131.487	3.4447	437.040685049725
Cond-007519	NPD7544	NPD7544	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4813144664	C[C@@H](CO)NC(=O)COc1ccc(cc1)c1cc2ccccc2oc1=O	InChI=1S/C20H19NO5/c1-13(11-22)21-19(23)12-25-16-8-6-14(7-9-16)17-10-15-4-2-3-5-18(15)26-20(17)24/h2-10,13,22H,11-12H2,1H3,(H,21,23)/t13-/m0/s1	C20H19NO5	353.369	6	2	84.86	3	7	0	-1.2574	2.46507	3	3.479	45.5862	100.0255	2.6071	326.826540519507
Cond-007520	NPD7545	NPD7545	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.643082983	COc1ccc2oc(=O)c(cc2c1)c1ccc(OCC(=O)NCCc2ccc(O)cc2)cc1	InChI=1S/C26H23NO6/c1-31-22-10-11-24-19(14-22)15-23(26(30)33-24)18-4-8-21(9-5-18)32-16-25(29)27-13-12-17-2-6-20(28)7-3-17/h2-11,14-15,28H,12-13,16H2,1H3,(H,27,29)	C26H23NO6	445.464	7	2	94.09	4	9	0	-1.0545	4.04117	3.55	4.743	48.0572	126.7075	3.2736	408.226840172069
Cond-007521	NPD7546	NPD7546	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4702223604	COCC(=O)NCCNC(=O)c1c[nH]c2ccccc12	InChI=1S/C14H17N3O3/c1-20-9-13(18)15-6-7-16-14(19)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,17H,6-7,9H2,1H3,(H,15,18)(H,16,19)	C14H17N3O3	275.303	6	3	83.22	2	8	0	-1.9204	0.55198	2.34	0.888	39.4852	80.0124	2.0815	247.729534582717
Cond-007522	NPD7548	NPD7548	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1958741512	COc1c(OC)c2c(cc1)C(OC2=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	InChI=1S/C21H22N2O5/c1-26-16-7-6-14-18(19(16)27-2)21(25)28-20(14)22-9-12-8-13(11-22)15-4-3-5-17(24)23(15)10-12/h3-7,12-13,20H,8-11H2,1-2H3/t12-,13+,20?/m1/s1	C21H22N2O5	382.41	7	0	68.31	5	3	0	-0.817000000000002	1.64118	3	1.451	78.9377	101.778	2.7166	346.579285353541
Cond-007523	NPD7549	NPD7549	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3429223034	COc1c(OC)c2c(cc1)C(OC2=O)N1CCc2c(C1)[nH]c1c2cc(F)cc1	InChI=1S/C21H19FN2O4/c1-26-17-6-4-13-18(19(17)27-2)21(25)28-20(13)24-8-7-12-14-9-11(22)3-5-15(14)23-16(12)10-24/h3-6,9,20,23H,7-8,10H2,1-2H3	C21H19FN2O4	382.385	6	1	63.79	5	3	0	0.2888	2.81729	3	3.425	45.0475	103.3	2.6326	319.420158802486
Cond-007524	NPD755	NPD755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.6718863274	CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12	InChI=1S/C21H19FO4/c1-2-3-4-15-11-21(24)26-20-12-17(9-10-18(15)20)25-13-19(23)14-5-7-16(22)8-6-14/h5-12H,2-4,13H2,1H3	C21H19FO4	354.372	4	0	52.6	3	7	1	-0.5279	5.13197	3.22	5.434	44.302	100.0465	2.6072	330.403097086952
Cond-007525	NPD7550	NPD7550	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2918156844	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1ccc2ncsc2c1	InChI=1S/C18H23N3OS/c22-18(13-6-7-15-17(10-13)23-12-20-15)19-11-14-4-3-9-21-8-2-1-5-16(14)21/h6-7,10,12,14,16H,1-5,8-9,11H2,(H,19,22)/t14-,16+/m0/s1	C18H23N3OS	329.46	4	1	73.47	4	4	0	-1.2491	2.71658	2.89	2.659	54.5685	93.4627000000001	2.517	295.765585041863
Cond-007526	NPD7551	NPD7551	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6201731198	[C@H]12CCCCN1CCC[C@H]2CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1	InChI=1S/C24H36FN3O3S/c25-21-10-12-22(13-11-21)32(30,31)27-16-18-6-8-19(9-7-18)24(29)26-17-20-4-3-15-28-14-2-1-5-23(20)28/h10-13,18-20,23,27H,1-9,14-17H2,(H,26,29)/t18-,19-,20-,23+/m0/s1	C24H36FN3O3S	465.624	6	2	86.89	4	8	0	-1.7133	4.03888000000001	3.22	3.375	87.7329	120.9214	3.5405	436.725963749293
Cond-007527	NPD7552	NPD7552	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1563261286	Cn1c2c(n3cc(C)n(CC(=O)O)c3n2)c(=O)n(C/C=C/c2ccccc2)c1=O	InChI=1S/C20H19N5O4/c1-13-11-25-16-17(21-19(25)24(13)12-15(26)27)22(2)20(29)23(18(16)28)10-6-9-14-7-4-3-5-8-14/h3-9,11H,10,12H2,1-2H3,(H,26,27)/b9-6+	C20H19N5O4	393.396	9	1	98.98	4	5	0	-0.6452	3.13215	2.67	4.904	67.8094	110.0513	2.796	347.030437250013
Cond-007528	NPD7553	NPD7553	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6975587	CC(C)CNC(=O)c1nc2c(cccc2)c(O)n1	InChI=1S/C13H15N3O2/c1-8(2)7-14-13(18)11-15-10-6-4-3-5-9(10)12(17)16-11/h3-6,8H,7H2,1-2H3,(H,14,18)(H,15,16,17)	C13H15N3O2	245.277	5	2	75.11	2	4	0	-0.5106	2.09478	2.34	1.839	28.9861	72.4365	1.8819	221.643323256289
Cond-007529	NPD7554	NPD7554	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8383351475	Oc1nc(nc2c1cccc2)C(=O)NCc1ccc2OCOc2c1	InChI=1S/C17H13N3O4/c21-16-11-3-1-2-4-12(11)19-15(20-16)17(22)18-8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H,18,22)(H,19,20,21)	C17H13N3O4	323.303	7	2	93.57	4	4	0	-1.3862	2.52897	2.56	2.075	22.1904	90.3055	2.2167	264.885421656879
Cond-007530	NPD7555	NPD7555	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8846213653	COc1ccc(CNC(=O)c2nc3c(cccc3)c(O)n2)cc1	InChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-18-17(22)15-19-14-5-3-2-4-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)	C17H15N3O3	309.319	6	2	84.34	3	5	0	-1.1353	2.30808	2.67	2.592	22.0341	88.6735	2.2666	268.451653657118
Cond-007531	NPD7556	NPD7556	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.122324159	Oc1ncc(NC(=O)C(=O)NCCc2c[nH]c3c2cccc3)c(O)n1	InChI=1S/C16H15N5O4/c22-13-12(8-19-16(25)21-13)20-15(24)14(23)17-6-5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7-8,18H,5-6H2,(H,17,23)(H,20,24)(H2,19,21,22,25)	C16H15N5O4	341.321	9	5	140.23	3	7	0	-2.3434	1.82896	2.23	0.682	32.4762	95.004	2.384	281.939416148146
Cond-007532	NPD7557	NPD7557	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	82.1541491733	O=C(Nc1cccc(c1)c1cc2ccccc2oc1=O)c1cccnc1	InChI=1S/C21H14N2O3/c24-20(16-7-4-10-22-13-16)23-17-8-3-6-14(11-17)18-12-15-5-1-2-9-19(15)26-21(18)25/h1-13H,(H,23,24)	C21H14N2O3	342.347	5	1	68.29	4	4	1	-0.4537	4.23657	3.22	5.174	22.8317	102.0302	2.4928	306.372997149218
Cond-007533	NPD7558	NPD7558	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.4111335718	COc1c(OC)cc(CCNC(=O)/C(=N/O)/C)cc1	InChI=1S/C13H18N2O4/c1-9(15-17)13(16)14-7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8,17H,6-7H2,1-3H3,(H,14,16)/b15-9+	C13H18N2O4	266.293	6	2	80.15	1	7	0	-0.683200000000001	1.44649	2.23	1.352	45.5424	74.3982	2.0511	254.119933850845
Cond-007534	NPD756	NPD756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.7880450203	CC(=O)C1CCC2C3CCC4=C/C(=N\OCC(=O)NCc5ccncc5)/CC[C@]4(C)C3CC[C@]12C	InChI=1S/C29H39N3O3/c1-19(33)24-6-7-25-23-5-4-21-16-22(8-12-28(21,2)26(23)9-13-29(24,25)3)32-35-18-27(34)31-17-20-10-14-30-15-11-20/h10-11,14-16,23-26H,4-9,12-13,17-18H2,1-3H3,(H,31,34)/b32-22-/t23?,24?,25?,26?,28-,29+/m0/s1	C29H39N3O3	477.638	6	1	80.65	5	7	1	0.0962999999999964	5.20867000000001	3.99	5.715	111.4997	139.7197	3.8262	478.36346916752
Cond-007535	NPD7560	NPD7560	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4080236355	[C@H]12CCCCN1CCC[C@H]2CNC(=O)CCn1ccc2c1ccc(OC)c2	InChI=1S/C22H31N3O2/c1-27-19-7-8-21-17(15-19)9-13-25(21)14-10-22(26)23-16-18-5-4-12-24-11-3-2-6-20(18)24/h7-9,13,15,18,20H,2-6,10-12,14,16H2,1H3,(H,23,26)/t18-,20+/m0/s1	C22H31N3O2	369.5	5	1	46.5	4	7	0	-1.8319	4.05978000000001	3.33	2.856	66.2502	112.3367	2.9758	355.230726188291
Cond-007536	NPD7561	NPD7561	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0078266729	[C@H]12CCCCN1CCC[C@H]2CNC(=O)CCn1ccc2c1cc(F)cc2	InChI=1S/C21H28FN3O/c22-18-7-6-16-8-12-25(20(16)14-18)13-9-21(26)23-15-17-4-3-11-24-10-2-1-5-19(17)24/h6-8,12,14,17,19H,1-5,9-11,13,15H2,(H,23,26)/t17-,19+/m0/s1	C21H28FN3O	357.465	4	1	37.27	4	6	0	-1.3004	4.19028	3.22	3.259	59.8069	105.7427	2.7939	335.21207371217
Cond-007537	NPD7562	NPD7562	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9386305914	[C@H]12CCCCN1CCC[C@H]2CNC(=O)Cc1cnc(s1)c1ccc(F)cc1	InChI=1S/C21H26FN3OS/c22-17-8-6-15(7-9-17)21-24-14-18(27-21)12-20(26)23-13-16-4-3-11-25-10-2-1-5-19(16)25/h6-9,14,16,19H,1-5,10-13H2,(H,23,26)/t16-,19+/m0/s1	C21H26FN3OS	387.514	4	1	73.47	4	6	0	-0.7346	4.55988	3.11	3.542	59.9902	111.3257	2.9144	351.08463906897
Cond-007538	NPD7563	NPD7563	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5661638936	CN(C)CCCNC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C13H21N7O/c1-20(2)7-3-5-14-10(21)4-6-15-12-11-13(17-8-16-11)19-9-18-12/h8-9H,3-7H2,1-2H3,(H,14,21)(H2,15,16,17,18,19)	C13H21N7O	291.352	8	3	98.83	2	9	0	-1.4762	0.980070000000001	2.01	-0.304	49.9303	85.9304	2.2654	259.476596089195
Cond-007539	NPD7564	NPD7564	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.9075312289	CN(C)CCNC(=O)CCNc1c2[nH]cnc2ncn1	InChI=1S/C12H19N7O/c1-19(2)6-5-13-9(20)3-4-14-11-10-12(16-7-15-10)18-8-17-11/h7-8H,3-6H2,1-2H3,(H,13,20)(H2,14,15,16,17,18)	C12H19N7O	277.326	8	3	98.83	2	8	0	-1.1882	0.58997	1.9	-0.662	47.0187	81.3134	2.1245	242.180611463328
Cond-007540	NPD7565	NPD7565	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5232467734	Clc1ccc2[nH]c3c(CCN(C3)C(=O)NCC(=O)Nc3cc4c([nH]cc4)cc3)c2c1	InChI=1S/C22H20ClN5O2/c23-14-1-3-19-17(10-14)16-6-8-28(12-20(16)27-19)22(30)25-11-21(29)26-15-2-4-18-13(9-15)5-7-24-18/h1-5,7,9-10,24,27H,6,8,11-12H2,(H,25,30)(H,26,29)	C22H20ClN5O2	421.88	7	4	93.02	5	6	0	-1.282	3.30897	3	2.475	48.0379	121.9964	2.9742	345.096562170258
Cond-007541	NPD7566	NPD7566	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1893432851	CC(=O)c1ccc(NC(=O)CCNC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1	InChI=1S/C23H24N4O3/c1-15(28)16-6-8-17(9-7-16)25-22(29)10-12-24-23(30)27-13-11-19-18-4-2-3-5-20(18)26-21(19)14-27/h2-9,26H,10-14H2,1H3,(H,24,30)(H,25,29)	C23H24N4O3	404.462	7	3	94.3	4	8	0	-1.6116	3.24887	3.22	2.807	54.5921	119.3189	3.0602	368.231404218886
Cond-007542	NPD7567	NPD7567	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0830352978	O=C(CCNC(=O)N1CCc2c(C1)[nH]c1ccccc21)Nc1cccc2c1cccn2	InChI=1S/C24H23N5O2/c30-23(28-21-9-3-8-19-18(21)6-4-12-25-19)10-13-26-24(31)29-14-11-17-16-5-1-2-7-20(16)27-22(17)15-29/h1-9,12,27H,10-11,13-15H2,(H,26,31)(H,28,30)	C24H23N5O2	413.472	7	3	90.12	5	7	0	-1.3577	3.59447000000001	3.33	3.326	43.8217	124.6154	3.0906	361.841004950758
Cond-007543	NPD7568	NPD7568	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6592028197	COc1cccc(c1)n1c(C)nc2ccc(OCC(=C)C)cc2c1=O	InChI=1S/C20H20N2O3/c1-13(2)12-25-17-8-9-19-18(11-17)20(23)22(14(3)21-19)15-6-5-7-16(10-15)24-4/h5-11H,1,12H2,2-4H3	C20H20N2O3	336.384	5	0	51.13	3	5	0	0.3694	4.67976	3.11	3.658	47.1408	103.314	2.5895	320.242847326552
Cond-007544	NPD7569	NPD7569	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4362203908	COC(=O)COc1ccc2nc(C)n(c(=O)c2c1)c1cc(OC)ccc1	InChI=1S/C19H18N2O5/c1-12-20-17-8-7-15(26-11-18(22)25-3)10-16(17)19(23)21(12)13-5-4-6-14(9-13)24-2/h4-10H,11H2,1-3H3	C19H18N2O5	354.357	7	0	77.43	3	6	0	-0.9867	4.11676	2.78	2.895	44.5498	103.0685	2.566	320.527316101807
Cond-007545	NPD757	NPD757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9311294766	CCCc1c(OCc2ccc(OC)cc2)cc2oc(=O)cc(c3ccccc3)c2c1	InChI=1S/C26H24O4/c1-3-7-20-14-23-22(19-8-5-4-6-9-19)15-26(27)30-25(23)16-24(20)29-17-18-10-12-21(28-2)13-11-18/h4-6,8-16H,3,7,17H2,1-2H3	C26H24O4	400.466	4	0	44.76	4	7	1	-0.2942	6.29066000000001	3.88	8.362	42.6379	122.466	3.0994	382.28608526358
Cond-007546	NPD7570	NPD7570	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1071373037	COc1cccc(c1)n1c(C)nc2ccc(OCC(=O)C)cc2c1=O	InChI=1S/C19H18N2O4/c1-12(22)11-25-16-7-8-18-17(10-16)19(23)21(13(2)20-18)14-5-4-6-15(9-14)24-3/h4-10H,11H2,1-3H3	C19H18N2O4	338.357	6	0	68.2	3	5	0	-1.2518	3.76647	2.89	2.839	43.3318	99.451	2.5073	311.737089401246
Cond-007547	NPD7572	NPD7572	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9974602187	COc1cccc(c1)n1c(C)nc2ccc(OC3CCc4c(cccc4)N=C3O)cc2c1=O	InChI=1S/C26H23N3O4/c1-16-27-23-12-11-20(33-24-13-10-17-6-3-4-9-22(17)28-25(24)30)15-21(23)26(31)29(16)18-7-5-8-19(14-18)32-2/h3-9,11-12,14-15,24H,10,13H2,1-2H3,(H,28,30)	C26H23N3O4	441.479	7	1	83.72	5	4	1	-1.2604	5.67816	3.55	5.792	47.5756	132.9928	3.2472	400.28344848648
Cond-007548	NPD7573	NPD7573	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5458974758	CC(=C)COc1ccc2nc(C)n(c(=O)c2c1)c1cc2c(OCO2)cc1	InChI=1S/C20H18N2O4/c1-12(2)10-24-15-5-6-17-16(9-15)20(23)22(13(3)21-17)14-4-7-18-19(8-14)26-11-25-18/h4-9H,1,10-11H2,2-3H3	C20H18N2O4	350.368	6	0	60.36	4	4	0	0.1185	4.90065	3	3.141	47.2971	104.946	2.5396	316.676615326313
Cond-007549	NPD7574	NPD7574	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5647125901	CC(C)OC(=O)COc1ccc2nc(C)n(c(=O)c2c1)c1cc2c(OCO2)cc1	InChI=1S/C21H20N2O6/c1-12(2)29-20(24)10-26-15-5-6-17-16(9-15)21(25)23(13(3)22-17)14-4-7-18-19(8-14)28-11-27-18/h4-9,12H,10-11H2,1-3H3	C21H20N2O6	396.393	8	0	86.66	4	6	0	-1.2877	5.11625	2.89	3.261	54.2047	113.9125	2.7979	351.553053353302
Cond-007550	NPD7575	NPD7575	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.2585393666	Cc1nc2ccc(OC3CCc4c(cccc4)N=C3O)cc2c(=O)n1c1cc2c(OCO2)cc1	InChI=1S/C26H21N3O5/c1-15-27-21-9-8-18(34-23-10-6-16-4-2-3-5-20(16)28-25(23)30)13-19(21)26(31)29(15)17-7-11-22-24(12-17)33-14-32-22/h2-5,7-9,11-13,23H,6,10,14H2,1H3,(H,28,30)	C26H21N3O5	455.462	8	1	92.95	6	3	1	-1.5113	5.89905	3.44	5.275	47.7319	134.6248	3.1973	396.717216486241
Cond-007551	NPD7576	NPD7576	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9253615301	Oc1cc(NC(=O)[C@@H](N2Cc3c(cccc3)C2=O)c2ccccc2)ccc1	InChI=1S/C22H18N2O3/c25-18-11-6-10-17(13-18)23-21(26)20(15-7-2-1-3-8-15)24-14-16-9-4-5-12-19(16)22(24)27/h1-13,20,25H,14H2,(H,23,26)/t20-/m0/s1	C22H18N2O3	358.39	5	2	69.64	4	5	1	-1.8754	3.88138	3.33	5.418	25.4826	104.187	2.6767	326.305440475885
Cond-007552	NPD7577	NPD7577	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9082568807	CC[C@H](C)[C@H](NC(=O)c1cn2cc(C)ccc2n1)C(=O)OC	InChI=1S/C16H21N3O3/c1-5-11(3)14(16(21)22-4)18-15(20)12-9-19-8-10(2)6-7-13(19)17-12/h6-9,11,14H,5H2,1-4H3,(H,18,20)/t11-,14-/m0/s1	C16H21N3O3	303.356	6	1	72.7	2	7	0	-0.2288	2.0534	2.56	2.545	48.4984	85.6197	2.3633	282.321503834451
Cond-007553	NPD7578	NPD7578	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.6700357643	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3cc4c(n3C)c(OC)c(OC)c(OC)c4)c2c1	InChI=1S/C25H27N3O5/c1-27-20(10-14-11-21(31-3)23(32-4)24(33-5)22(14)27)25(29)28-9-8-19-17(13-28)16-12-15(30-2)6-7-18(16)26-19/h6-7,10-12,26H,8-9,13H2,1-5H3	C25H27N3O5	449.499	8	1	77.95	5	6	0	-1.4117	4.35066	3.33	2.199	60.9354	132.711	3.294	388.787066663575
Cond-007554	NPD7579	NPD7579	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.0164826621	COc1ccc2[nH]c3c(CN(CC3)C(=O)c3cc4c(cc(OC)c(OC)c4)n3C)c2c1	InChI=1S/C24H25N3O4/c1-26-20-12-23(31-4)22(30-3)10-14(20)9-21(26)24(28)27-8-7-19-17(13-27)16-11-15(29-2)5-6-18(16)25-19/h5-6,9-12,25H,7-8,13H2,1-4H3	C24H25N3O4	419.473	7	1	68.72	5	5	0	-1.3599	3.84127000000001	3.33	2.643	53.6196	124.098	3.0944	362.700855337147
Cond-007555	NPD758	NPD758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5318307631	CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(=O)Nc1ccc(cc1)C(=O)O	InChI=1S/C20H23NO11/c1-10(22)29-9-16(30-11(2)23)17(31-12(3)24)18(32-13(4)25)19(26)21-15-7-5-14(6-8-15)20(27)28/h5-8,16-18H,9H2,1-4H3,(H,21,26)(H,27,28)/t16-,17-,18-/m1/s1	C20H23NO11	453.397	12	2	171.6	1	15	2	-1.4457	0.64989	2.34	1.252	76.356	108.3475	3.1765	415.180818124474
Cond-007556	NPD7580	NPD7580	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4417664438	COc1ccc2[nH]c3c(CN(CC3)C(=O)CCNC(=O)c3cc(OC)c(OC)c(OC)c3)c2c1	InChI=1S/C25H29N3O6/c1-31-16-5-6-19-17(13-16)18-14-28(10-8-20(18)27-19)23(29)7-9-26-25(30)15-11-21(32-2)24(34-4)22(12-15)33-3/h5-6,11-13,27H,7-10,14H2,1-4H3,(H,26,30)	C25H29N3O6	467.514	9	2	102.12	4	10	0	-2.1156	2.45928	3.22	1.459	69.0436	130.7587	3.4613	420.833752064936
Cond-007557	NPD7581	NPD7581	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.0709583787	COc1cc2c(n(C)c(c2)C(=O)N2CCc3c(C2)c2ccccc2[nH]3)c(OC)c1OC	InChI=1S/C24H25N3O4/c1-26-19(11-14-12-20(29-2)22(30-3)23(31-4)21(14)26)24(28)27-10-9-18-16(13-27)15-7-5-6-8-17(15)25-18/h5-8,11-12,25H,9-10,13H2,1-4H3	C24H25N3O4	419.473	7	1	68.72	5	5	0	-1.3599	4.34206000000001	3.33	2.854	53.6196	126.159	3.0944	362.700855337147
Cond-007558	NPD7582	NPD7582	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	21.8110195408	COc1cc2c(cc(n2C)C(=O)N2CCc3c(C2)c2ccccc2[nH]3)c(OC)c1	InChI=1S/C23H23N3O3/c1-25-20-10-14(28-2)11-22(29-3)16(20)12-21(25)23(27)26-9-8-19-17(13-26)15-6-4-5-7-18(15)24-19/h4-7,10-12,24H,8-9,13H2,1-3H3	C23H23N3O3	389.447	6	1	59.49	5	4	0	-1.3081	3.83267	3.33	3.298	46.3038	117.546	2.8948	336.614644010719
Cond-007559	NPD7584	NPD7584	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.6543824185	O=C(/C=C/c1ccc2OCOc2c1)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C21H18N2O3/c24-21(8-6-14-5-7-19-20(11-14)26-13-25-19)23-10-9-18-16(12-23)15-3-1-2-4-17(15)22-18/h1-8,11,22H,9-10,12-13H2/b8-6+	C21H18N2O3	346.379	5	1	54.56	5	3	0	-1.2616	3.63046	3.22	3.76	40.7931	103.978	2.5132	301.925914550818
Cond-007560	NPD7585	NPD7585	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	49.3132224123	COc1cc2c(cc1OC)n(C)c(c2)C(=O)N1CCc2c(C1)c1cccc(Br)c1[nH]2	InChI=1S/C23H22BrN3O3/c1-26-18-11-21(30-3)20(29-2)10-13(18)9-19(26)23(28)27-8-7-17-15(12-27)14-5-4-6-16(24)22(14)25-17/h4-6,9-11,25H,7-8,12H2,1-3H3	C23H22BrN3O3	468.343	6	1	59.49	5	4	0	-0.419299999999998	4.59517	3.22	3.521	54.9029	125.246	3.0698	355.898262988286
Cond-007561	NPD7586	NPD7586	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	20.888405121	COc1cccc2c1cc([nH]2)C(=O)N1CCc2c(C1)c1cccc(Br)c1[nH]2	InChI=1S/C21H18BrN3O2/c1-27-19-7-3-6-16-13(19)10-18(23-16)21(26)25-9-8-17-14(11-25)12-4-2-5-15(22)20(12)24-17/h2-7,10,23-24H,8-9,11H2,1H3	C21H18BrN3O2	424.291	5	2	61.12	5	3	0	-0.9034	3.68908	3.11	3.726	42.2924	113.465	2.7293	312.516067035991
Cond-007562	NPD7587	NPD7587	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2992795314	COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCCCC(=O)O)ccc2c1=O	InChI=1S/C23H23NO8/c1-14-23(32-18-7-4-3-6-17(18)29-2)22(28)16-10-9-15(12-19(16)31-14)30-13-20(25)24-11-5-8-21(26)27/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,24,25)(H,26,27)	C23H23NO8	441.431	9	2	120.39	3	11	1	-2.0822	4.60305	3	3.097	63.6214	122.253	3.1629	402.448715797991
Cond-007563	NPD7588	NPD7588	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.262634116	NC(=O)NCCC[C@H](NC(=O)Cn1ccc2c1ccc(Br)c2)C(=O)O	InChI=1S/C16H19BrN4O4/c17-11-3-4-13-10(8-11)5-7-21(13)9-14(22)20-12(15(23)24)2-1-6-19-16(18)25/h3-5,7-8,12H,1-2,6,9H2,(H,20,22)(H,23,24)(H3,18,19,25)/t12-/m0/s1	C16H19BrN4O4	411.25	8	5	126.45	2	10	0	-1.5236	1.42488	2.23	0.907	54.5207	99.9196000000001	2.6538	318.755651019946
Cond-007564	NPD7589	NPD7589	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.3247810087	Brc1cc2c(cc1)n(CC(=O)Nc1cc3c([nH]cc3)cc1)cc2	InChI=1S/C18H14BrN3O/c19-14-1-4-17-13(9-14)6-8-22(17)11-18(23)21-15-2-3-16-12(10-15)5-7-20-16/h1-10,20H,11H2,(H,21,23)	C18H14BrN3O	368.227	4	2	49.82	4	4	0	-0.355	5.28107	2.89	3.859	26.8006	101.5257	2.3565	264.194345158629
Cond-007565	NPD759	NPD759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6250338862	COc1c(cccc1)C(CCNCc1ccc(OC(C)C)cc1)c1cc2c(OCO2)cc1	InChI=1S/C27H31NO4/c1-19(2)32-22-11-8-20(9-12-22)17-28-15-14-23(24-6-4-5-7-25(24)29-3)21-10-13-26-27(16-21)31-18-30-26/h4-13,16,19,23,28H,14-15,17-18H2,1-3H3	C27H31NO4	433.539	5	1	48.95	4	10	1	-1.2725	6.22299000000001	3.88	6.484	51.018	128.6367	3.4261	415.851747499214
Cond-007566	NPD7590	NPD7590	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.3358731146	Brc1cc2c(cc1)n(CC(=O)Nc1ccc3cc[nH]c3c1)cc2	InChI=1S/C18H14BrN3O/c19-14-2-4-17-13(9-14)6-8-22(17)11-18(23)21-15-3-1-12-5-7-20-16(12)10-15/h1-10,20H,11H2,(H,21,23)	C18H14BrN3O	368.227	4	2	49.82	4	4	0	-0.355	5.68626	2.89	3.859	26.8006	102.5667	2.3565	264.194345158629
Cond-007567	NPD7591	NPD7591	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2925413362	COc1cccc(c1)c1nc(CC(=O)N[C@@H](CCSC)C(=O)O)cs1	InChI=1S/C17H20N2O4S2/c1-23-13-5-3-4-11(8-13)16-18-12(10-25-16)9-15(20)19-14(17(21)22)6-7-24-2/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,19,20)(H,21,22)/t14-/m0/s1	C17H20N2O4S2	380.482	6	2	142.06	2	10	0	-0.0416000000000003	3.37118	2.45	2.911	58.7561	105.5395	2.7471	331.792544367112
Cond-007568	NPD7592	NPD7592	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7872285285	CC(=CC(=O)NCCNC(=O)c1cc2ccccc2[nH]1)C	InChI=1S/C16H19N3O2/c1-11(2)9-15(20)17-7-8-18-16(21)14-10-12-5-3-4-6-13(12)19-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,17,20)(H,18,21)	C16H19N3O2	285.341	5	3	73.99	2	7	0	-0.2173	1.65828	2.67	2.243	47.635	86.4779	2.2616	270.89481843309
Cond-007569	NPD7593	NPD7593	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9379049396	CSCC[C@H](NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1)C(=O)O	InChI=1S/C23H23NO7S/c1-14-22(31-15-6-4-3-5-7-15)21(26)17-9-8-16(12-19(17)30-14)29-13-20(25)24-18(23(27)28)10-11-32-2/h3-9,12,18H,10-11,13H2,1-2H3,(H,24,25)(H,27,28)/t18-/m0/s1	C23H23NO7S	457.496	8	2	136.46	3	11	1	-1.5294	4.93595000000001	3	4.733	68.5694	128.387	3.2677	412.16751315503
Cond-007570	NPD7594	NPD7594	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7257554553	COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCC(=O)O)ccc2c1=O	InChI=1S/C21H19NO8/c1-12-21(30-16-6-4-3-5-15(16)27-2)20(26)14-8-7-13(9-17(14)29-12)28-11-18(23)22-10-19(24)25/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)	C21H19NO8	413.377	9	2	120.39	3	9	0	-2.0424	3.82285	2.78	2.581	56.0104	113.019	2.8811	367.856746546257
Cond-007571	NPD7596	NPD7596	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.7127455554	CCOc1ccccc1Oc1coc2cc(OCC(=O)NCC(=O)O)ccc2c1=O	InChI=1S/C21H19NO8/c1-2-27-15-5-3-4-6-16(15)30-18-11-29-17-9-13(7-8-14(17)21(18)26)28-12-19(23)22-10-20(24)25/h3-9,11H,2,10,12H2,1H3,(H,22,23)(H,24,25)	C21H19NO8	413.377	9	2	120.39	3	10	0	-2.3057	3.82285	2.78	2.768	54.4857	113.019	2.8811	367.856746546257
Cond-007572	NPD7597	NPD7597	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1674182346	CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc2c1=O	InChI=1S/C28H25NO8/c1-2-34-22-10-6-7-11-23(22)37-25-16-36-24-15-19(12-13-20(24)27(25)31)35-17-26(30)29-21(28(32)33)14-18-8-4-3-5-9-18/h3-13,15-16,21H,2,14,17H2,1H3,(H,29,30)(H,32,33)/t21-/m0/s1	C28H25NO8	503.5	9	2	120.39	4	12	2	-2.1986	5.43415000000001	3.55	6.559	58.1119	142.086	3.62980000000001	457.762804124125
Cond-007573	NPD7598	NPD7598	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7609495672	CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@@H](CCSC)C(=O)O)ccc2c1=O	InChI=1S/C24H25NO8S/c1-3-30-18-6-4-5-7-19(18)33-21-13-32-20-12-15(8-9-16(20)23(21)27)31-14-22(26)25-17(24(28)29)10-11-34-2/h4-9,12-13,17H,3,10-11,14H2,1-2H3,(H,25,26)(H,28,29)/t17-/m0/s1	C24H25NO8S	487.522	9	2	145.69	3	13	1	-1.8445	4.94455	3	4.265	74.3605	134.939	3.4673	438.253724481458
Cond-007574	NPD7599	NPD7599	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7954180273	Cc1cc(=O)oc2cc(C)c3C(=O)CC(Oc3c12)c1ccc2OCOc2c1	InChI=1S/C21H16O6/c1-10-5-17-20(11(2)6-18(23)26-17)21-19(10)13(22)8-15(27-21)12-3-4-14-16(7-12)25-9-24-14/h3-7,15H,8-9H2,1-2H3	C21H16O6	364.348	6	0	71.06	5	1	0	0.622199999999999	4.73928	3.11	2.909	48.7036	102.1015	2.4897	317.203074236168
Cond-007575	NPD76	NPD76	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.0297029703	CCOC(=O)COc1cc2c(cc1CC)c(=O)c(co2)c1csc(C)n1	InChI=1S/C19H19NO5S/c1-4-12-6-13-17(7-16(12)25-9-18(21)23-5-2)24-8-14(19(13)22)15-10-26-11(3)20-15/h6-8,10H,4-5,9H2,1-3H3	C19H19NO5S	373.423	6	0	102.96	3	7	0	0.1878	4.80428	2.78	3.576	61.8113	104.2475	2.6727	330.67603865204
Cond-007576	NPD760	NPD760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.537913958	OC1(CC(=O)CC2(O)C(=O)Nc3c2cccc3)C(=O)Nc2c1cccc2	InChI=1S/C19H16N2O5/c22-11(9-18(25)12-5-1-3-7-14(12)20-16(18)23)10-19(26)13-6-2-4-8-15(13)21-17(19)24/h1-8,25-26H,9-10H2,(H,20,23)(H,21,24)	C19H16N2O5	352.341	7	4	115.73	4	4	0	-2.9542	1.87679	2.78	2.969	39.0626	94.883	2.4574	308.170857401007
Cond-007577	NPD7600	NPD7600	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.8990825688	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1c(C)nc(s1)n1cccc1	InChI=1S/C19H26N4OS/c1-14-17(25-19(21-14)23-10-4-5-11-23)18(24)20-13-15-7-6-12-22-9-3-2-8-16(15)22/h4-5,10-11,15-16H,2-3,6-9,12-13H2,1H3,(H,20,24)/t15-,16+/m0/s1	C19H26N4OS	358.501	5	1	77.88	4	5	0	-0.796399999999999	3.40861	2.89	2.836	63.199	104.1207	2.7577	324.058329875896
Cond-007578	NPD7601	NPD7601	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.896439123	[C@H]12CCCCN1CCC[C@H]2CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1	InChI=1S/C25H32N4O2/c30-24(21-10-6-13-26-17-21)28-22(16-19-8-2-1-3-9-19)25(31)27-18-20-11-7-15-29-14-5-4-12-23(20)29/h1-3,6,8-10,13,17,20,22-23H,4-5,7,11-12,14-16,18H2,(H,27,31)(H,28,30)/t20-,22-,23+/m0/s1	C25H32N4O2	420.547	6	2	74.33	4	9	0	-2.5692	2.77179	3.55	4.882	62.4047	123.6044	3.3693	410.206064171658
Cond-007579	NPD7602	NPD7602	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5343388794	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCC(=O)N(C)C1c1ccccc1	InChI=1S/C23H33N3O2/c1-25-21(27)13-12-19(22(25)17-8-3-2-4-9-17)23(28)24-16-18-10-7-15-26-14-6-5-11-20(18)26/h2-4,8-9,18-20,22H,5-7,10-16H2,1H3,(H,24,28)/t18-,19?,20+,22?/m0/s1	C23H33N3O2	383.527	5	1	52.65	4	5	0	-2.2769	2.86959	3.44	3.467	75.9337	112.0877	3.1167	383.426710814158
Cond-007580	NPD7603	NPD7603	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5676151972	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1cc(nc2ccccc12)C1CC1	InChI=1S/C23H29N3O/c27-23(24-15-17-6-5-13-26-12-4-3-9-22(17)26)19-14-21(16-10-11-16)25-20-8-2-1-7-18(19)20/h1-2,7-8,14,16-17,22H,3-6,9-13,15H2,(H,24,27)/t17-,22+/m0/s1	C23H29N3O	363.496	4	1	45.23	5	5	0	-1.6346	4.48008000000001	3.55	4.359	58.4814	112.0497	2.9064	348.743566711997
Cond-007581	NPD7604	NPD7604	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1944228477	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1cc(ccc1Cl)n1cnnn1	InChI=1S/C18H23ClN6O/c19-16-7-6-14(25-12-21-22-23-25)10-15(16)18(26)20-11-13-4-3-9-24-8-2-1-5-17(13)24/h6-7,10,12-13,17H,1-5,8-9,11H2,(H,20,26)/t13-,17+/m0/s1	C18H23ClN6O	374.868	7	1	75.42	4	5	0	-1.0822	2.30259	2.56	2.677	55.2886	101.8967	2.7323	322.821450678396
Cond-007582	NPD7605	NPD7605	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9711812575	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1c(cccc1)n1cnnn1	InChI=1S/C18H24N6O/c25-18(15-7-1-2-9-17(15)24-13-20-21-22-24)19-12-14-6-5-11-23-10-4-3-8-16(14)23/h1-2,7,9,13-14,16H,3-6,8,10-12H2,(H,19,25)/t14-,16+/m0/s1	C18H24N6O	340.423	7	1	75.42	4	5	0	-1.8265	1.64919	2.67	2.792	49.673	96.8867	2.6099	307.610382907963
Cond-007583	NPD7606	NPD7606	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6442751257	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1ccc(cc1)n1cnnn1	InChI=1S/C18H24N6O/c25-18(14-6-8-16(9-7-14)24-13-20-21-22-24)19-12-15-4-3-11-23-10-2-1-5-17(15)23/h6-9,13,15,17H,1-5,10-12H2,(H,19,25)/t15-,17+/m0/s1	C18H24N6O	340.423	7	1	75.42	4	5	0	-1.8265	1.64919	2.67	2.581	49.673	96.8867	2.6099	307.610382907963
Cond-007584	NPD7608	NPD7608	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.4065723319	Cc1c([nH]/c(=N/S(=O)(=O)c2ccc(Cl)cc2)/s1)C(=O)NCC1CCCN2CCCCC12	InChI=1S/C21H27ClN4O3S2/c1-14-19(20(27)23-13-15-5-4-12-26-11-3-2-6-18(15)26)24-21(30-14)25-31(28,29)17-9-7-16(22)8-10-17/h7-10,15,18H,2-6,11-13H2,1H3,(H,23,27)(H,24,25)	C21H27ClN4O3S2	483.047	7	2	124.55	4	6	0	-1.5207	4.00727	2.67	4.373	92.0319	123.1144	3.3998	418.214385655986
Cond-007585	NPD7609	NPD7609	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.9219924325	[C@H]12CCCCN1CCC[C@H]2CNC(=O)c1cn2cc(C)ccc2n1	InChI=1S/C19H26N4O/c1-14-7-8-18-21-16(13-23(18)12-14)19(24)20-11-15-5-4-10-22-9-3-2-6-17(15)22/h7-8,12-13,15,17H,2-6,9-11H2,1H3,(H,20,24)/t15-,17+/m0/s1	C19H26N4O	326.436	5	1	49.64	4	4	0	-1.1845	2.7302	3	2.584	55.1751	97.1637000000001	2.5942	305.549305818296
Cond-007586	NPD761	NPD761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.715116709	CCOc1cc(c/c(=N\c2cc(C)ccc2)/c2c(C)oc(C)c12)c1cccs1	InChI=1S/C24H23NO2S/c1-5-26-21-14-18(22-10-7-11-28-22)13-20(23-16(3)27-17(4)24(21)23)25-19-9-6-8-15(2)12-19/h6-14H,5H2,1-4H3/b25-20+	C24H23NO2S	389.51	3	0	62.97	4	4	1	2.237	5.58834000000001	3.66	6.895	63.2621	115.552	3.0065	362.255905577291
Cond-007587	NPD7610	NPD7610	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.6452081066	CC12CC(CC(C)(C)C1)N(C2)C(=O)CNC(=O)N1CCc2c(C1)[nH]c1ccccc21	InChI=1S/C24H32N4O2/c1-23(2)10-16-11-24(3,14-23)15-28(16)21(29)12-25-22(30)27-9-8-18-17-6-4-5-7-19(17)26-20(18)13-27/h4-7,16,26H,8-15H2,1-3H3,(H,25,30)	C24H32N4O2	408.536	6	2	68.44	5	5	0	0.122700000000003	2.84458	3.44	3.747	83.3115	120.6227	3.2058	385.826538246592
Cond-007588	NPD7611	NPD7611	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.852796351	COC(=O)C(CC(C)C)NC(=O)c1cc(O)nc2ccccc12	InChI=1S/C17H20N2O4/c1-10(2)8-14(17(22)23-3)19-16(21)12-9-15(20)18-13-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3,(H,18,20)(H,19,21)	C17H20N2O4	316.352	6	2	88.52	2	7	0	-0.412500000000001	2.89698	2.67	3.256	44.0369	90.417	2.4201	294.774496251912
Cond-007589	NPD7612	NPD7612	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0234800187	CCC(C)C(NC(=O)c1cc(O)nc2ccccc12)C(=O)OC	InChI=1S/C17H20N2O4/c1-4-10(2)15(17(22)23-3)19-16(21)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-10,15H,4H2,1-3H3,(H,18,20)(H,19,21)	C17H20N2O4	316.352	6	2	88.52	2	7	0	-1.3443	2.89698	2.67	3.045	42.6629	90.417	2.4201	294.774496251912
Cond-007590	NPD7613	NPD7613	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5943606489	COC(=O)C(CCSC)NC(=O)c1cc(O)nc2ccccc12	InChI=1S/C16H18N2O4S/c1-22-16(21)13(7-8-23-2)18-15(20)11-9-14(19)17-12-6-4-3-5-10(11)12/h3-6,9,13H,7-8H2,1-2H3,(H,17,19)(H,18,20)	C16H18N2O4S	334.39	6	2	113.82	2	8	0	-0.8245	2.60398	2.45	2.792	46.4313	93.961	2.4427	295.987535683645
Cond-007591	NPD7614	NPD7614	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.0471155341	COc1ccc2[nH]c3c(CN(CC3)C(=O)C3CCCO3)c2c1	InChI=1S/C17H20N2O3/c1-21-11-4-5-14-12(9-11)13-10-19(7-6-15(13)18-14)17(20)16-3-2-8-22-16/h4-5,9,16,18H,2-3,6-8,10H2,1H3	C17H20N2O3	300.352	5	1	54.56	4	3	0	-2.2474	2.05788	2.78	1.439	45.8706	86.906	2.2302	266.544269551351
Cond-007592	NPD7615	NPD7615	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	57.088063028	CCn1c(C)c(C(=O)N2CCc3c(C2)c2cc(OC)ccc2[nH]3)c2c1ccc(OC)c2	InChI=1S/C25H27N3O3/c1-5-28-15(2)24(19-13-17(31-4)7-9-23(19)28)25(29)27-11-10-22-20(14-27)18-12-16(30-3)6-8-21(18)26-22/h6-9,12-13,26H,5,10-11,14H2,1-4H3	C25H27N3O3	417.5	6	1	59.49	5	5	0	-0.618199999999999	4.34359000000001	3.55	3.619	56.3301	125.879	3.1766	371.206613262452
Cond-007593	NPD7616	NPD7616	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	48.7430674338	COc1cc2c(cc1OC)n(C)c(c2)C(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C23H23N3O3/c1-25-19-12-22(29-3)21(28-2)11-14(19)10-20(25)23(27)26-9-8-18-16(13-26)15-6-4-5-7-17(15)24-18/h4-7,10-12,24H,8-9,13H2,1-3H3	C23H23N3O3	389.447	6	1	59.49	5	4	0	-1.3081	3.83267	3.33	3.298	46.3038	117.546	2.8948	336.614644010719
Cond-007594	NPD7617	NPD7617	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.990618359	COc1ccc(OC)c2c1[nH]c(c2)C(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C22H21N3O3/c1-27-19-7-8-20(28-2)21-14(19)11-18(24-21)22(26)25-10-9-17-15(12-25)13-5-3-4-6-16(13)23-17/h3-8,11,23-24H,9-10,12H2,1-2H3	C22H21N3O3	375.42	6	2	70.35	5	4	0	-1.844	3.43597	3.22	3.059	41.0091	114.378	2.7539	319.318659384852
Cond-007595	NPD7618	NPD7618	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.4592857513	COc1ccc(OC)c2c1cc(n2C)C(=O)N1CCc2c(C1)c1ccccc1[nH]2	InChI=1S/C23H23N3O3/c1-25-19(12-15-20(28-2)8-9-21(29-3)22(15)25)23(27)26-11-10-18-16(13-26)14-6-4-5-7-17(14)24-18/h4-9,12,24H,10-11,13H2,1-3H3	C23H23N3O3	389.447	6	1	59.49	5	4	0	-1.3081	4.33346	3.33	3.298	46.3038	119.607	2.8948	336.614644010719
Cond-007596	NPD762	NPD762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2887349977	CCC1CN2CCc3c(cc(OC)c(OC)c3)C2CC1CC1N(CCc2cc(OC)c(OC)cc12)C(=O)c1ccco1	InChI=1S/C34H42N2O6/c1-6-21-20-35-11-9-22-16-30(38-2)32(40-4)18-25(22)27(35)14-24(21)15-28-26-19-33(41-5)31(39-3)17-23(26)10-12-36(28)34(37)29-8-7-13-42-29/h7-8,13,16-19,21,24,27-28H,6,9-12,14-15,20H2,1-5H3	C34H42N2O6	574.707	8	0	73.61	6	9	0	-0.875399999999999	5.37539000000001	4.32	4.912	94.3773	161.27	4.4124	540.787936087969
Cond-007597	NPD7620	NPD7620	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.9624216037	CCn1c(C)c(C(=O)N2CCc3c(C2)c2ccccc2[nH]3)c2c1ccc(OC)c2	InChI=1S/C24H25N3O2/c1-4-27-15(2)23(18-13-16(29-3)9-10-22(18)27)24(28)26-12-11-21-19(14-26)17-7-5-6-8-20(17)25-21/h5-10,13,25H,4,11-12,14H2,1-3H3	C24H25N3O2	387.474	5	1	50.26	5	4	0	-0.566399999999999	4.33499000000001	3.55	4.274	49.0143	119.327	2.977	345.120401936024
Cond-007598	NPD7621	NPD7621	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.1833307417	OC(=O)[C@H](NC(=O)CCn1ccc2c1cc(Br)cc2)c1ccccc1	InChI=1S/C19H17BrN2O3/c20-15-7-6-13-8-10-22(16(13)12-15)11-9-17(23)21-18(19(24)25)14-4-2-1-3-5-14/h1-8,10,12,18H,9,11H2,(H,21,23)(H,24,25)/t18-/m1/s1	C19H17BrN2O3	401.254	5	2	71.33	3	7	0	-0.0833000000000003	4.03398	2.89	4.635	38.7421	102.7225	2.6236	311.330481678251
Cond-007599	NPD7622	NPD7622	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2773544809	C[C@H](NC(=O)CCn1ccc2c1ccc(Br)c2)C(=O)O	InChI=1S/C14H15BrN2O3/c1-9(14(19)20)16-13(18)5-7-17-6-4-10-8-11(15)2-3-12(10)17/h2-4,6,8-9H,5,7H2,1H3,(H,16,18)(H,19,20)/t9-/m0/s1	C14H15BrN2O3	339.184	5	2	71.33	2	6	0	-0.0320000000000004	3.02228	2.34	2.15	44.6408	83.7795	2.1567	256.016393352117
Cond-007600	NPD7623	NPD7623	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9545430985	CC(C)[C@H](NC(=O)CCn1ccc2c1ccc(Br)c2)C(=O)O	InChI=1S/C16H19BrN2O3/c1-10(2)15(16(21)22)18-14(20)6-8-19-7-5-11-9-12(17)3-4-13(11)19/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1	C16H19BrN2O3	367.238	5	2	71.33	2	7	0	0.4896	3.65838	2.56	2.805	53.0099	92.9435000000001	2.4385	290.608362603851
Cond-007601	NPD7624	NPD7624	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9097081843	CSCC[C@H](NC(=O)CCn1ccc2c1ccc(Br)c2)C(=O)O	InChI=1S/C16H19BrN2O3S/c1-23-9-6-13(16(21)22)18-15(20)5-8-19-7-4-11-10-12(17)2-3-14(11)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1	C16H19BrN2O3S	399.303	5	2	96.63	2	9	0	0.333199999999999	3.75548	2.45	3.121	59.8561	101.1045	2.602	309.117386661451
Cond-007602	NPD7625	NPD7625	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.8212304981	CSCC[C@H](NC(=O)Cn1ccc2c1ccc(Br)c2)C(=O)O	InChI=1S/C15H17BrN2O3S/c1-22-7-5-12(15(20)21)17-14(19)9-18-6-4-10-8-11(16)2-3-13(10)18/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1	C15H17BrN2O3S	385.276	5	2	96.63	2	8	0	0.0849999999999991	3.36538	2.34	2.963	55.1567	96.4875000000001	2.4611	291.821402035584
Cond-007603	NPD7626	NPD7626	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3250920023	OC(=O)[C@H](NC(=O)Cn1ccc2c1ccc(Br)c2)c1ccccc1	InChI=1S/C18H15BrN2O3/c19-14-6-7-15-13(10-14)8-9-21(15)11-16(22)20-17(18(23)24)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,20,22)(H,23,24)/t17-/m1/s1	C18H15BrN2O3	387.227	5	2	71.33	3	6	0	-0.3315	3.64388	2.78	4.477	34.0427	98.1055	2.4827	294.034497052384
Cond-007604	NPD7627	NPD7627	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2739853833	OC(=O)CNC(=O)CNC(=O)Cn1ccc2c1ccc(Br)c2	InChI=1S/C14H14BrN3O4/c15-10-1-2-11-9(5-10)3-4-18(11)8-13(20)16-6-12(19)17-7-14(21)22/h1-5H,6-8H2,(H,16,20)(H,17,19)(H,21,22)	C14H14BrN3O4	368.183	7	3	100.43	2	8	0	-1.2128	1.35988	2.12	0.638	47.2854	87.5772000000001	2.2722	273.166921560045
Cond-007605	NPD7628	NPD7628	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4183900897	CSCC[C@H](NC(=O)COc1cc2c(C(=O)CC(C)(C)O2)c(O)c1)C(=O)O	InChI=1S/C18H23NO7S/c1-18(2)8-13(21)16-12(20)6-10(7-14(16)26-18)25-9-15(22)19-11(17(23)24)4-5-27-3/h6-7,11,20H,4-5,8-9H2,1-3H3,(H,19,22)(H,23,24)/t11-/m0/s1	C18H23NO7S	397.443	8	3	147.46	2	9	0	-1.2204	2.94257	2.45	0.995	73.1256	107.545	2.8438	359.489883529696
Cond-007606	NPD7629	NPD7629	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.378375577	OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2cc(Br)ccc12	InChI=1S/C19H17BrN2O3/c20-15-6-7-17-14(11-15)8-9-22(17)12-18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-9,11,16H,10,12H2,(H,21,23)(H,24,25)/t16-/m0/s1	C19H17BrN2O3	401.254	5	2	71.33	3	7	1	-0.269100000000001	3.85498	2.89	5.257	38.9081	103.6345	2.6236	311.330481678251
Cond-007607	NPD763	NPD763	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9893210542	Cn1c(=O)c(Nc2ccccc2)c2c3c(cccc3)c(=O)c3c2c1ccc3	InChI=1S/C23H16N2O2/c1-25-18-13-7-12-17-19(18)20(15-10-5-6-11-16(15)22(17)26)21(23(25)27)24-14-8-3-2-4-9-14/h2-13,24H,1H3	C23H16N2O2	352.385	4	1	49.41	5	2	1	-1.3913	4.99176	3.55	6.465	30.2104	108.4397	2.6073	319.818280999591
Cond-007608	NPD7630	NPD7630	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.92924895	COc1cc2c(CN(C[C@H](O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1OC	InChI=1S/C24H27NO6/c1-15-8-24(27)31-21-11-19(4-5-20(15)21)30-14-18(26)13-25-7-6-16-9-22(28-2)23(29-3)10-17(16)12-25/h4-5,8-11,18,26H,6-7,12-14H2,1-3H3/t18-/m0/s1	C24H27NO6	425.474	7	1	77.46	4	7	0	0.263199999999999	3.03657000000001	3.33	2.518	69.229	119.2428	3.1638	395.080705723536
Cond-007609	NPD7632	NPD7632	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.244784423	[C@H]12CCCCN1CCC[C@H]2CNC(=O)CCC(=O)N1CCC(CC1)c1noc2c1ccc(F)c2	InChI=1S/C26H35FN4O3/c27-20-6-7-21-23(16-20)34-29-26(21)18-10-14-31(15-11-18)25(33)9-8-24(32)28-17-19-4-3-13-30-12-2-1-5-22(19)30/h6-7,16,18-19,22H,1-5,8-15,17H2,(H,28,32)/t19-,22+/m0/s1	C26H35FN4O3	470.58	7	1	78.68	5	8	0	-2.9382	4.39897000000001	3.44	3.055	83.8569	133.1487	3.564	435.276293049193
Cond-007610	NPD7633	NPD7633	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.517385257	COc1c(OC)cc2c(O)nc(CSCC(=O)NCC3CCCN4CCCCC34)nc2c1	InChI=1S/C23H32N4O4S/c1-30-19-10-16-17(11-20(19)31-2)25-21(26-23(16)29)13-32-14-22(28)24-12-15-6-5-9-27-8-4-3-7-18(15)27/h10-11,15,18H,3-9,12-14H2,1-2H3,(H,24,28)(H,25,26,29)	C23H32N4O4S	460.59	8	2	122.11	4	9	0	-2.0032	3.69138000000001	3	2.079	81.0389	131.6277	3.4544	416.976489780247
Cond-007611	NPD7634	NPD7634	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6036161335	N/C(=C\C(=O)O)/CP(=O)(O)CCc1ccccc1	InChI=1S/C12H16NO4P/c13-11(8-12(14)15)9-18(16,17)7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9,13H2,(H,14,15)(H,16,17)/b11-8-	C12H16NO4P	269.234	5	4	110.43	1	6	0	-1.465	1.64347	2.12	2.263	36.5741	68.7875	2.015	245.654442424811
Cond-007612	NPD7635	NPD7635	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9471488178	COC(=O)c1ccc2c(=O)n(CC(=O)N)cnc2c1	InChI=1S/C12H11N3O4/c1-19-12(18)7-2-3-8-9(4-7)14-6-15(11(8)17)5-10(13)16/h2-4,6H,5H2,1H3,(H2,13,16)	C12H11N3O4	261.233	7	2	102.06	2	4	0	-1.4944	-0.0598200000000004	2.01	-0.276	38.9844	70.0009	1.8154	230.191333330745
Cond-007613	NPD7636	NPD7636	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1933240612	CN(C)CCCNCCCNC(=O)c1nc2c(cccc2)c(O)n1	InChI=1S/C17H25N5O2/c1-22(2)12-6-10-18-9-5-11-19-17(24)15-20-14-8-4-3-7-13(14)16(23)21-15/h3-4,7-8,18H,5-6,9-12H2,1-2H3,(H,19,24)(H,20,21,23)	C17H25N5O2	331.413	7	3	90.38	2	10	0	-1.8273	1.37018	2.56	0.944	52.2695	98.2562	2.6451	312.820782176091
Cond-007614	NPD7637	NPD7637	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8567454798	O=C(NCCCn1cnc2ccccc2c1=O)c1cccnc1	InChI=1S/C17H16N4O2/c22-16(13-5-3-8-18-11-13)19-9-4-10-21-12-20-15-7-2-1-6-14(15)17(21)23/h1-3,5-8,11-12H,4,9-10H2,(H,19,22)	C17H16N4O2	308.335	6	1	74.66	3	6	0	-1.5686	1.88338	2.67	2.298	34.77	90.6542	2.3077	281.558187164723
Cond-007615	NPD7638	NPD7638	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7204450626	Cc1cc(O)c(c(=O)o1)c1ccnc2c1c(O)nc(N)n2	InChI=1S/C13H10N4O4/c1-5-4-7(18)8(12(20)21-5)6-2-3-15-10-9(6)11(19)17-13(14)16-10/h2-4,18H,1H3,(H3,14,15,16,17,19)	C13H10N4O4	286.243	8	4	131.45	3	1	0	-1.1317	2.23524	2.01	0.0629999999999999	39.1612	77.842	1.9045	232.591160763178
Cond-007616	NPD7639	NPD7639	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6926286509	COc1ccc(NC(=O)COc2c3cc[nH]c3ccc2)cc1	InChI=1S/C17H16N2O3/c1-21-13-7-5-12(6-8-13)19-17(20)11-22-16-4-2-3-15-14(16)9-10-18-15/h2-10,18H,11H2,1H3,(H,19,20)	C17H16N2O3	296.321	5	2	63.35	3	6	0	-1.4629	4.04687	2.78	2.855	24.2384	91.3967	2.2098	260.091352149751
Cond-007617	NPD764	NPD764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2753239383	CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(O)C(=O)O	InChI=1S/C31H45NO10/c1-28(2,26(38)27(39)40)16-32-23(36)7-8-24(37)42-15-22(35)31(41)12-10-20-19-6-5-17-13-18(33)9-11-29(17,3)25(19)21(34)14-30(20,31)4/h13,19-21,25-26,34,38,41H,5-12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19?,20?,21?,25?,26?,29-,30-,31-/m0/s1	C31H45NO10	591.69	11	5	187.53	4	12	2	-1.249	1.86068000000001	3.66	-0.15	148.0773	151.6559	4.4709	578.386422308446
Cond-007618	NPD7640	NPD7640	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.7593880389	COc1c(NC(=O)COc2c3cc[nH]c3ccc2)cccc1	InChI=1S/C17H16N2O3/c1-21-16-7-3-2-5-14(16)19-17(20)11-22-15-8-4-6-13-12(15)9-10-18-13/h2-10,18H,11H2,1H3,(H,19,20)	C17H16N2O3	296.321	5	2	63.35	3	6	0	-1.4629	4.04687	2.78	2.855	24.2384	91.3967	2.2098	260.091352149751
Cond-007619	NPD7641	NPD7641	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.598052851	CC(=O)c1cccc(NC(=O)CCCNC(=O)N2CCc3c(C2)[nH]c2ccccc32)c1	InChI=1S/C24H26N4O3/c1-16(29)17-6-4-7-18(14-17)26-23(30)10-5-12-25-24(31)28-13-11-20-19-8-2-3-9-21(19)27-22(20)15-28/h2-4,6-9,14,27H,5,10-13,15H2,1H3,(H,25,31)(H,26,30)	C24H26N4O3	418.488	7	3	94.3	4	9	0	-1.8996	3.63897	3.33	3.165	57.5037	123.9359	3.2011	385.527388844752
Cond-007620	NPD7642	NPD7642	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.717663421	CC(=C)COc1ccc2nc(C)n(c(=O)c2c1)c1cc(ccc1)C(=O)NCCc1c[nH]cn1	InChI=1S/C25H25N5O3/c1-16(2)14-33-21-7-8-23-22(12-21)25(32)30(17(3)29-23)20-6-4-5-18(11-20)24(31)27-10-9-19-13-26-15-28-19/h4-8,11-13,15H,1,9-10,14H2,2-3H3,(H,26,28)(H,27,31)	C25H25N5O3	443.498	8	2	99.68	4	9	0	-0.9104	3.35777	3.33	3.242	58.1903	131.3952	3.3558	408.547216277186
Cond-007621	NPD7644	NPD7644	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9026425591	COc1cc2c([nH]cc2CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccc4OCOc4c3)C2=O)cc1	InChI=1S/C24H24N4O6/c1-32-16-3-4-18-17(9-16)15(11-26-18)6-7-25-22(29)10-19-23(30)28(24(31)27-19)12-14-2-5-20-21(8-14)34-13-33-20/h2-5,8-9,11,19,26H,6-7,10,12-13H2,1H3,(H,25,29)(H,27,31)/t19-/m0/s1	C24H24N4O6	464.471	10	3	121.99	5	9	0	-2.0044	1.75717	3	2.061	62.1617	127.2484	3.2686	399.541610245636
Cond-007622	NPD7645	NPD7645	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2294853964	COC(=O)C(NC(=O)c1cc(O)nc2ccccc12)C(C)C	InChI=1S/C16H18N2O4/c1-9(2)14(16(21)22-3)18-15(20)11-8-13(19)17-12-7-5-4-6-10(11)12/h4-9,14H,1-3H3,(H,17,19)(H,18,20)	C16H18N2O4	302.325	6	2	88.52	2	6	0	-0.668100000000001	2.50688	2.56	2.476	39.5851	85.8	2.2792	277.478511626045
Cond-007623	NPD7646	NPD7646	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5577190542	Cc1c([nH]/c(=N/S(=O)(=O)c2ccccc2)/s1)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2	InChI=1S/C22H22N4O4S2/c1-14-20(23-22(31-14)24-32(29,30)17-6-3-2-4-7-17)21(28)25-11-15-10-16(13-25)18-8-5-9-19(27)26(18)12-15/h2-9,15-16H,10-13H2,1H3,(H,23,24)	C22H22N4O4S2	470.564	8	1	132.83	5	4	0	-1.8278	2.58615	2.78	3.063	99.0217	119.7317	3.2394	408.82369440878
Cond-007624	NPD7647	NPD7647	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	76.6509040334	CC(C)CCNC[C@H](O)COc1ccc2c(C)cc(=O)oc2c1C	InChI=1S/C19H27NO4/c1-12(2)7-8-20-10-15(21)11-23-17-6-5-16-13(3)9-18(22)24-19(16)14(17)4/h5-6,9,12,15,20-21H,7-8,10-11H2,1-4H3/t15-/m0/s1	C19H27NO4	333.422	5	2	67.79	2	8	0	0.5929	3.51979	3	3.025	68.5169	99.7635000000001	2.6881	334.542622697079
Cond-007625	NPD7648	NPD7648	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1529902643	COc1cc2c(cc1)n(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)cc2	InChI=1S/C21H22N2O4/c1-27-17-7-8-19-16(14-17)9-11-23(19)12-10-20(24)22-18(21(25)26)13-15-5-3-2-4-6-15/h2-9,11,14,18H,10,12-13H2,1H3,(H,22,24)(H,25,26)/t18-/m0/s1	C21H22N2O4	366.41	6	2	80.56	3	9	0	-0.961500000000001	3.49118	3.11	4.537	42.3242	107.1035	2.7891	335.42905865298
Cond-007626	NPD7649	NPD7649	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2823365786	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1Cc2c(cccc2)C1=O	InChI=1S/C21H19N3O4/c25-19(12-24-11-13-5-1-2-7-16(13)20(24)26)23-18(21(27)28)9-14-10-22-17-8-4-3-6-15(14)17/h1-8,10,18,22H,9,11-12H2,(H,23,25)(H,27,28)/t18-/m0/s1	C21H19N3O4	377.393	7	3	102.5	4	7	0	-2.2147	1.75348	3	2.81	42.8647	106.712	2.7373	331.432901459546
Cond-007627	NPD7650	NPD7650	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.4979137691	COc1ccc(/C=C/2\Oc3c(CN4CCCC[C@H]4c4cnccc4)c(O)ccc3C2=O)cc1	InChI=1S/C27H26N2O4/c1-32-20-9-7-18(8-10-20)15-25-26(31)21-11-12-24(30)22(27(21)33-25)17-29-14-3-2-6-23(29)19-5-4-13-28-16-19/h4-5,7-13,15-16,23,30H,2-3,6,14,17H2,1H3/b25-15-/t23-/m0/s1	C27H26N2O4	442.506	6	1	71.89	5	5	0	-1.787	4.79978000000001	3.77	4.704	50.9469	128.0278	3.3313	409.21913160498
Cond-007628	NPD7651	NPD7651	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.2837273992	COc1ccc(cc1)c1cc2ccc(O)c(CN3CCCC[C@H]3c3cnccc3)c2oc1=O	InChI=1S/C27H26N2O4/c1-32-21-10-7-18(8-11-21)22-15-19-9-12-25(30)23(26(19)33-27(22)31)17-29-14-3-2-6-24(29)20-5-4-13-28-16-20/h4-5,7-13,15-16,24,30H,2-3,6,14,17H2,1H3/t24-/m0/s1	C27H26N2O4	442.506	6	1	71.89	5	5	0	-1.209	5.17037000000001	3.77	4.704	49.7257	130.447	3.3313	409.21913160498
Cond-007629	NPD7652	NPD7652	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8386648122	COc1c(OC)cc(cc1)c1cc2ccc(O)c(CN3CCCC[C@H]3c3cnccc3)c2oc1=O	InChI=1S/C28H28N2O5/c1-33-25-11-9-18(15-26(25)34-2)21-14-19-8-10-24(31)22(27(19)35-28(21)32)17-30-13-4-3-7-23(30)20-6-5-12-29-16-20/h5-6,8-12,14-16,23,31H,3-4,7,13,17H2,1-2H3/t23-/m0/s1	C28H28N2O5	472.532	7	1	81.12	5	6	0	-1.2608	5.17897000000001	3.77	4.26	57.0415	136.999	3.5309	435.305342931408
Cond-007630	NPD7653	NPD7653	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.4339360223	COc1ccccc1c1coc2c(CN3CCCC[C@H]3c3cnccc3)c(O)ccc2c1=O	InChI=1S/C27H26N2O4/c1-32-25-10-3-2-8-19(25)22-17-33-27-20(26(22)31)11-12-24(30)21(27)16-29-14-5-4-9-23(29)18-7-6-13-28-15-18/h2-3,6-8,10-13,15,17,23,30H,4-5,9,14,16H2,1H3/t23-/m0/s1	C27H26N2O4	442.506	6	1	71.89	5	5	0	-2.0568	4.79978000000001	3.77	4.527	49.6408	128.0278	3.3313	409.21913160498
Cond-007631	NPD7654	NPD7654	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.9221140473	Oc1ccc2c(=O)c(coc2c1CN1CCCC[C@H]1c1cnccc1)c1ccccc1	InChI=1S/C26H24N2O3/c29-24-12-11-20-25(30)22(18-7-2-1-3-8-18)17-31-26(20)21(24)16-28-14-5-4-10-23(28)19-9-6-13-27-15-19/h1-3,6-9,11-13,15,17,23,29H,4-5,10,14,16H2/t23-/m0/s1	C26H24N2O3	412.48	5	1	62.66	5	4	1	-2.005	4.79118000000001	3.77	5.815	42.325	121.4758	3.1317	383.132920278552
Cond-007632	NPD7656	NPD7656	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6564673157	COc1c(OC)cc(cc1)c1coc2c(CN3CCCC[C@H]3c3cnccc3)c(O)ccc2c1=O	InChI=1S/C28H28N2O5/c1-33-25-11-8-18(14-26(25)34-2)22-17-35-28-20(27(22)32)9-10-24(31)21(28)16-30-13-4-3-7-23(30)19-6-5-12-29-15-19/h5-6,8-12,14-15,17,23,31H,3-4,7,13,16H2,1-2H3/t23-/m0/s1	C28H28N2O5	472.532	7	1	81.12	5	6	0	-2.1086	4.80838000000001	3.77	3.872	56.9566	134.5798	3.5309	435.305342931408
Cond-007633	NPD7657	NPD7657	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.6203059805	COc1cc(/C=C/2\Oc3c(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(O)ccc3C2=O)ccc1	InChI=1S/C28H26N2O5/c1-34-20-5-2-4-17(11-20)12-25-27(33)21-8-9-24(31)22(28(21)35-25)16-29-13-18-10-19(15-29)23-6-3-7-26(32)30(23)14-18/h2-9,11-12,18-19,31H,10,13-16H2,1H3/b25-12-/t18-,19+/m1/s1	C28H26N2O5	470.516	7	1	79.31	6	4	0	-1.6519	4.24115000000001	3.77	3.06	86.0409	135.4775	3.4223	433.848884230608
Cond-007634	NPD7658	NPD7658	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1543810848	COc1ccccc1c1coc2c(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2c1=O	InChI=1S/C28H26N2O5/c1-34-25-7-3-2-5-19(25)22-16-35-28-20(27(22)33)9-10-24(31)21(28)15-29-12-17-11-18(14-29)23-6-4-8-26(32)30(23)13-17/h2-10,16-18,31H,11-15H2,1H3/t17-,18+/m1/s1	C28H26N2O5	470.516	7	1	79.31	6	4	0	-1.9217	4.24115000000001	3.77	2.672	84.7348	135.4775	3.4223	433.848884230608
Cond-007635	NPD7659	NPD7659	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1668984701	CC(NCc1c[nH]c2ccccc12)c1ccccc1	InChI=1S/C17H18N2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-17-10-6-5-9-16(15)17/h2-10,12-13,18-19H,11H2,1H3	C17H18N2	250.338	2	2	27.82	3	4	1	-0.8283	3.3161	3.11	5.121	20.6088	80.2007	2.0767	236.357130748867
Cond-007636	NPD766	NPD766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7235463755	COc1cc(cc(OC)c1O)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C20H20N2O5/c1-26-15-7-10(8-16(27-2)19(15)23)17-18-12(9-14(22-17)20(24)25)11-5-3-4-6-13(11)21-18/h3-8,14,17,21-23H,9H2,1-2H3,(H,24,25)	C20H20N2O5	368.383	7	4	103.81	4	4	0	-1.7896	2.37838	2.89	1.921	42.6016	102.6273	2.6413	317.203300727674
Cond-007637	NPD7660	NPD7660	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.272600834	[C@H]12CCCCN1CCC[C@H]2CNC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1	InChI=1S/C20H30ClN3O3S/c21-17-8-10-18(11-9-17)28(26,27)23-12-3-7-20(25)22-15-16-5-4-14-24-13-2-1-6-19(16)24/h8-11,16,19,23H,1-7,12-15H2,(H,22,25)/t16-,19+/m0/s1	C20H30ClN3O3S	427.988	6	2	86.89	3	9	0	-2.2735	3.52698	2.78	2.546	75.7052	109.7594	3.1902	389.041992866752
Cond-007638	NPD7661	NPD7661	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1863699583	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1	InChI=1S/C29H37N3O2/c33-28(30-21-26-9-6-18-31-17-5-4-10-27(26)31)24-15-19-32(20-16-24)29(34)25-13-11-23(12-14-25)22-7-2-1-3-8-22/h1-3,7-8,11-14,24,26-27H,4-6,9-10,15-21H2,(H,30,33)/t26-,27+/m0/s1	C29H37N3O2	459.623	5	1	52.65	5	7	1	-3.172	4.60329000000001	4.1	7.026	73.0857	139.3567	3.7245	456.036783766159
Cond-007639	NPD7662	NPD7662	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9401947149	[C@H]12CCCCN1CCC[C@H]2CNC(=O)C1CCN(CC1)C(=O)Cc1ccc(cc1)c1ccccc1	InChI=1S/C30H39N3O2/c34-29(21-23-11-13-25(14-12-23)24-7-2-1-3-8-24)33-19-15-26(16-20-33)30(35)31-22-27-9-6-18-32-17-5-4-10-28(27)32/h1-3,7-8,11-14,26-28H,4-6,9-10,15-22H2,(H,31,35)/t27-,28+/m0/s1	C30H39N3O2	473.65	5	1	52.65	5	8	1	-3.1372	4.79769000000001	4.21	7.44	77.6349	143.9587	3.8654	473.332768392026
Cond-007640	NPD7663	NPD7663	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3351877608	O=C(NCCNC(=O)c1cc2c([nH]1)cccc2)C(=O)Nc1cc2c([nH]cc2)cc1	InChI=1S/C21H19N5O3/c27-19(18-12-13-3-1-2-4-17(13)26-18)23-9-10-24-20(28)21(29)25-15-5-6-16-14(11-15)7-8-22-16/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)(H,25,29)	C21H19N5O3	389.407	8	5	118.88	4	9	0	-2.722	2.00408	2.89	2.322	38.3489	114.9206	2.8352	331.099736474519
Cond-007641	NPD7664	NPD7664	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.0236439499	O=C(NCCNC(=O)c1c[nH]c2c1cccc2)C1CN(Cc2ccccc2)C(=O)C1	InChI=1S/C23H24N4O3/c28-21-12-17(15-27(21)14-16-6-2-1-3-7-16)22(29)24-10-11-25-23(30)19-13-26-20-9-5-4-8-18(19)20/h1-9,13,17,26H,10-12,14-15H2,(H,24,29)(H,25,30)	C23H24N4O3	404.462	7	3	94.3	4	9	0	-2.3883	1.61478	3.22	3.276	52.6441	117.3464	3.0602	368.231404218886
Cond-007642	NPD7665	NPD7665	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5368567455	COc1cc2c(cc1)n(CCC(=O)N[C@@H](C(=O)O)c1ccccc1)cc2	InChI=1S/C20H20N2O4/c1-26-16-7-8-17-15(13-16)9-11-22(17)12-10-18(23)21-19(20(24)25)14-5-3-2-4-6-14/h2-9,11,13,19H,10,12H2,1H3,(H,21,23)(H,24,25)/t19-/m1/s1	C20H20N2O4	352.384	6	2	80.56	3	8	0	-1.0239	3.28008	3	3.757	37.4588	101.5745	2.6482	318.133074027113
Cond-007643	NPD7666	NPD7666	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3894297636	OC(=O)CNC(=O)CNC(=O)CN1Cc2c(cccc2)C1=O	InChI=1S/C14H15N3O5/c18-11(16-6-13(20)21)5-15-12(19)8-17-7-9-3-1-2-4-10(9)14(17)22/h1-4H,5-8H2,(H,15,19)(H,16,18)(H,20,21)	C14H15N3O5	305.286	8	3	115.81	2	8	0	-2.738	-1.14621	2.12	-0.408	47.942	77.3247	2.1559	273.573529283039
Cond-007644	NPD7668	NPD7668	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7830319889	COc1ccc(CCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1OC	InChI=1S/C21H23N3O5/c1-28-17-8-7-13(11-18(17)29-2)9-10-22-19(25)12-16-21(27)23-15-6-4-3-5-14(15)20(26)24-16/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)/t16-/m0/s1	C21H23N3O5	397.424	8	3	105.76	3	8	0	-1.8631	2.07178	2.89	2.778	53.9921	110.4671	2.9476	366.116045561708
Cond-007645	NPD7669	NPD7669	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0862308762	COC(=O)CNC(=O)N1CCc2c(nc[nH]2)C1c1cc(OC)cc(OC)c1	InChI=1S/C18H22N4O5/c1-25-12-6-11(7-13(8-12)26-2)17-16-14(20-10-21-16)4-5-22(17)18(24)19-9-15(23)27-3/h6-8,10,17H,4-5,9H2,1-3H3,(H,19,24)(H,20,21)	C18H22N4O5	374.391	9	2	105.78	3	8	0	-1.6691	1.11109	2.45	0.596	55.4463	99.0787	2.7107	330.497769293874
Cond-007646	NPD767	NPD767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.908593831	CCCCn1c(C)nc2c(nc(nc2N2CCCCC2)N(CCO)CCO)c1=O	InChI=1S/C20H32N6O3/c1-3-4-10-26-15(2)21-16-17(19(26)29)22-20(25(11-13-27)12-14-28)23-18(16)24-8-6-5-7-9-24/h27-28H,3-14H2,1-2H3	C20H32N6O3	404.506	9	2	105.39	3	9	0	-2.7919	2.24016	2.67	0.798	83.4318	119.1126	3.1607	385.675722962419
Cond-007647	NPD7670	NPD7670	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3602225313	COC(=O)CNC(=O)N1CCc2c(nc[nH]2)C1c1c(OC)c(OC)ccc1	InChI=1S/C18H22N4O5/c1-25-13-6-4-5-11(17(13)27-3)16-15-12(20-10-21-15)7-8-22(16)18(24)19-9-14(23)26-2/h4-6,10,16H,7-9H2,1-3H3,(H,19,24)(H,20,21)	C18H22N4O5	374.391	9	2	105.78	3	8	0	-1.6691	1.66659	2.45	0.596	55.4463	101.4057	2.7107	330.497769293874
Cond-007648	NPD7671	NPD7671	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4979137691	COC(=O)CNC(=O)N1CCc2c(nc[nH]2)C21CCCCC2	InChI=1S/C15H22N4O3/c1-22-12(20)9-16-14(21)19-8-5-11-13(18-10-17-11)15(19)6-3-2-4-7-15/h10H,2-9H2,1H3,(H,16,21)(H,17,18)	C15H22N4O3	306.36	7	2	87.32	3	5	0	-2.1528	1.18059	2.34	0.994	57.3582	83.3797	2.2996	279.838738117551
Cond-007649	NPD7672	NPD7672	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.916550765	COC(=O)CNC(=O)N1CCc2c(nc[nH]2)C1c1ccc2OCOc2c1	InChI=1S/C17H18N4O5/c1-24-14(22)7-18-17(23)21-5-4-11-15(20-8-19-11)16(21)10-2-3-12-13(6-10)26-9-25-12/h2-3,6,8,16H,4-5,7,9H2,1H3,(H,18,23)(H,19,20)	C17H18N4O5	358.349	9	2	105.78	4	6	0	-1.8682	1.32338	2.34	0.523	48.2868	94.1587	2.4612	300.845325967207
Cond-007650	NPD7673	NPD7673	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9819193324	COC(=O)CNC(=O)N1CCc2c(nc[nH]2)C1c1c(OC)ccc(OC)c1	InChI=1S/C18H22N4O5/c1-25-11-4-5-14(26-2)12(8-11)17-16-13(20-10-21-16)6-7-22(17)18(24)19-9-15(23)27-3/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,19,24)(H,20,21)	C18H22N4O5	374.391	9	2	105.78	3	8	0	-1.6691	1.66659	2.45	0.596	55.4463	101.4057	2.7107	330.497769293874
Cond-007651	NPD7674	NPD7674	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6244784423	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(O)CN(CC(O)COc1ccc2c(cc(=O)oc2c1C)c1ccccc1)Cc1ccco1	InChI=1S/C43H39NO9/c1-27-38(17-15-34-36(20-40(47)52-42(27)34)29-10-5-3-6-11-29)50-25-31(45)22-44(24-33-14-9-19-49-33)23-32(46)26-51-39-18-16-35-37(30-12-7-4-8-13-30)21-41(48)53-43(35)28(39)2/h3-21,31-32,45-46H,22-26H2,1-2H3	C43H39NO9	713.771	10	2	127.9	7	14	2	0.0202999999999992	6.8404	5.09	9.967	84.8757	204.9716	5.26120000000001	653.941130606283
Cond-007652	NPD7675	NPD7675	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6161335188	COc1cc2c(cc1OC)C(Cc1ccc(O)cc1)[N+](C)(Cc1ccccc1)CC2	InChI=1S/C26H29NO3/c1-27(18-20-7-5-4-6-8-20)14-13-21-16-25(29-2)26(30-3)17-23(21)24(27)15-19-9-11-22(28)12-10-19/h4-12,16-17,24H,13-15,18H2,1-3H3/p+1	C26H30NO3+	404.521	4	1	38.69	4	6	1	-1.6147	4.58609000000001	3.88	5.711	45.0324	119.8844	3.248	391.083765523186
Cond-007653	NPD7676	NPD7676	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7065368567	CCCOCC1C[C@]2(CC(C)(OC2=O)c2csc(N)n2)C(=O)O1	InChI=1S/C15H20N2O5S/c1-3-4-20-6-9-5-15(11(18)21-9)8-14(2,22-12(15)19)10-7-23-13(16)17-10/h7,9H,3-6,8H2,1-2H3,(H2,16,17)/t9?,14?,15-/m0/s1	C15H20N2O5S	340.395	7	2	128.98	3	5	0	-0.591100000000002	1.96859	2.23	1.276	68.1267	86.3994	2.3809	293.93469515994
Cond-007654	NPD7677	NPD7677	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3671766342	[C@@H]12NC(=O)N(C)C(c3ccc(O)c(OC)c3)[C@@H]1C(C)NC(=O)N2C	InChI=1S/C16H22N4O4/c1-8-12-13(9-5-6-10(21)11(7-9)24-4)19(2)16(23)18-14(12)20(3)15(22)17-8/h5-8,12-14,21H,1-4H3,(H,17,22)(H,18,23)/t8?,12-,13?,14-/m0/s1	C16H22N4O4	334.37	8	3	94.14	3	2	0	-1.7863	0.33959	2.34	0.125	59.8338	88.8052	2.4562	303.288490743179
Cond-007655	NPD7678	NPD7678	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.8789986092	[C@@H]12CCC3C4C[C@@H](O)[C@](O)(C(C)O)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C23H38O5/c1-13(24)23(27)20(26)12-19-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h13,15-20,24,26-27H,5-12H2,1-4H3/t13?,15-,16?,17?,18?,19?,20+,21-,22-,23+/m0/s1	C23H38O5	394.545	5	3	86.99	4	3	1	-0.868499999999998	3.27739000000001	3.44	5.22	101.7033	108.5444	3.1654	398.252945094542
Cond-007656	NPD768	NPD768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.3716108453	CCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O	InChI=1S/C21H19ClO4/c1-3-4-18-13(2)17-10-9-16(11-20(17)26-21(18)24)25-12-19(23)14-5-7-15(22)8-6-14/h5-11H,3-4,12H2,1-2H3	C21H19ClO4	370.826	4	0	52.6	3	6	1	0.5778	5.64627	3.22	5.183	50.4906	105.0985	2.7119	339.546606007079
Cond-007657	NPD7680	NPD7680	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7941585535	CC(=C)C1Cc2c(C1)c(C)nc(N)n2	InChI=1S/C11H15N3/c1-6(2)8-4-9-7(3)13-11(12)14-10(9)5-8/h8H,1,4-5H2,2-3H3,(H2,12,13,14)	C11H15N3	189.257	3	2	51.8	2	1	0	0.921	2.169	2.34	1.827	36.8066	57.8744	1.5687	185.643818005034
Cond-007658	NPD7681	NPD7681	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.668984701	C[C@@H]1CCC2[C@](C)(COC(=O)c3ccccc3)[C@H](CC[C@]2(C)[C@]21CCC(CCOC(=O)c1ccccc1)(COC(=O)c1ccccc1)O2)OC(=O)c1ccccc1	InChI=1S/C48H52O9/c1-34-24-25-39-45(2,32-54-42(50)36-18-10-5-11-19-36)40(56-44(52)38-22-14-7-15-23-38)26-27-46(39,3)48(34)29-28-47(57-48,33-55-43(51)37-20-12-6-13-21-37)30-31-53-41(49)35-16-8-4-9-17-35/h4-23,34,39-40H,24-33H2,1-3H3/t34-,39?,40+,45+,46+,47?,48-/m1/s1	C48H52O9	772.921	9	0	114.43	7	16	2	-0.048199999999999	9.28199	5.75	15.455	105.9824	216.574499999999	5.95190000000001	745.597210929049
Cond-007659	NPD7682	NPD7682	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.314325452	CCCOc1ccc(cc1)C(=O)N1CCCC1C(=O)O	InChI=1S/C15H19NO4/c1-2-10-20-12-7-5-11(6-8-12)14(17)16-9-3-4-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)	C15H19NO4	277.316	5	1	66.84	2	6	0	-1.9753	2.39849	2.56	2.293	43.6606	77.1653000000001	2.1245	265.358684193612
Cond-007660	NPD7683	NPD7683	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0472878999	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)C(C)C	InChI=1S/C15H28NO2/c1-12(2)15(17)18-11-13-7-6-10-16(3)9-5-4-8-14(13)16/h12-14H,4-11H2,1-3H3/q+1/t13-,14+,16?/m0/s1	C15H28NO2+	254.388	3	0	26.3	2	4	0	-1.9165	2.82859	2.78	2.088	63.5105	75.3214000000001	2.2006	270.542294946089
Cond-007661	NPD7684	NPD7684	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2489568846	COc1ccc(NC(=O)N2CCCCC2c2cnccc2)cc1	InChI=1S/C18H21N3O2/c1-23-16-9-7-15(8-10-16)20-18(22)21-12-3-2-6-17(21)14-5-4-11-19-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,22)	C18H21N3O2	311.378	5	1	54.46	3	5	0	-1.5823	3.70628	2.89	3.16	34.1033	91.8667000000001	2.4348	293.130328984024
Cond-007662	NPD7685	NPD7685	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7496522949	O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2c(C1)c1c([nH]2)cccc1	InChI=1S/C24H26N4O2/c29-23-7-3-6-22-17-10-16(12-28(22)23)11-26(13-17)15-24(30)27-9-8-21-19(14-27)18-4-1-2-5-20(18)25-21/h1-7,16-17,25H,8-15H2/t16-,17-/m0/s1	C24H26N4O2	402.489	6	1	59.65	6	3	0	-2.2763	1.95666	3.44	1.453	82.4764	117.813	3.0112	368.197162144191
Cond-007663	NPD7686	NPD7686	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	53.7301808067	CC1C=C(C)[C@H]2C(C)[C@]1(CO)COC2c1ccccc1	InChI=1S/C18H24O2/c1-12-9-13(2)18(10-19)11-20-17(16(12)14(18)3)15-7-5-4-6-8-15/h4-9,13-14,16-17,19H,10-11H2,1-3H3/t13?,14?,16-,17?,18+/m0/s1	C18H24O2	272.382	2	1	29.46	3	2	0	0.135299999999999	3.16999	3.22	4.469	54.8706	79.1808	2.2644	278.949424461923
Cond-007664	NPD7687	NPD7687	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.681502086	COc1c2OCOc2cc2c1C(CC(O)c1ccccc1)N(C)CC2	InChI=1S/C20H23NO4/c1-21-9-8-14-10-17-19(25-12-24-17)20(23-2)18(14)15(21)11-16(22)13-6-4-3-5-7-13/h3-7,10,15-16,22H,8-9,11-12H2,1-2H3	C20H23NO4	341.401	5	1	51.16	4	4	0	-0.8209	3.45069000000001	3.11	3.401	44.8186	97.0428000000001	2.5688	313.589231220546
Cond-007665	NPD7688	NPD7688	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.727399166	COc1c2OCOc2cc2c1C(CN)N(C)CC2	InChI=1S/C13H18N2O3/c1-15-4-3-8-5-10-12(18-7-17-10)13(16-2)11(8)9(15)6-14/h5,9H,3-4,6-7,14H2,1-2H3	C13H18N2O3	250.294	5	2	56.95	3	2	0	-0.760500000000001	1.62679	2.34	0.0310000000000001	44.8788	70.8564000000001	1.8612	225.889707150284
Cond-007666	NPD7689	NPD7689	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.283727399	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	C38H72N2O12	748.984	14	5	180.08	3	7	1	-2.5265	2.13459000000001	4.1	1.888	188.5654	197.422	5.99800000000002	753.574280503597
Cond-007667	NPD7690	NPD7690	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.8664812239	COC(=O)c1ccc(NC(=S)N2CCCCC2c2cccnc2)cc1	InChI=1S/C19H21N3O2S/c1-24-18(23)14-7-9-16(10-8-14)21-19(25)22-12-3-2-6-17(22)15-5-4-11-20-13-15/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,21,25)	C19H21N3O2S	355.454	5	1	86.55	3	6	0	-0.620200000000001	3.41949	2.89	4.478	46.7668	103.7807	2.6962	326.298878966691
Cond-007668	NPD7692	NPD7692	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9902642559	OC(COC1CCCCC1)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C20H30N2O3/c23-17(14-25-18-5-2-1-3-6-18)13-21-10-15-9-16(12-21)19-7-4-8-20(24)22(19)11-15/h4,7-8,15-18,23H,1-3,5-6,9-14H2/t15-,16-,17?/m1/s1	C20H30N2O3	346.464	5	1	53.01	4	5	0	-2.8865	2.01687	3.11	0.954	89.7988	98.5078000000001	2.7389	345.505140830552
Cond-007669	NPD7693	NPD7693	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7343532684	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ncccc1	InChI=1S/C31H40N2O6/c1-29-13-10-22(34)17-20(29)6-7-23-24(29)11-14-30(2)25(23)12-15-31(30,38)26(35)19-39-28(37)9-8-27(36)33-18-21-5-3-4-16-32-21/h3-5,16-17,23-25,38H,6-15,18-19H2,1-2H3,(H,33,36)/t23?,24?,25?,29-,30-,31-/m0/s1	C31H40N2O6	536.659	8	2	122.66	5	10	0	-0.539700000000002	4.13378000000001	3.99	3.162	119.8352	146.4675	4.1413	525.692899611969
Cond-007670	NPD7694	NPD7694	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8247566064	O/C(=C\1/COC(=O)C1=O)/c1ccccc1	InChI=1S/C11H8O4/c12-9(7-4-2-1-3-5-7)8-6-15-11(14)10(8)13/h1-5,12H,6H2/b9-8-	C11H8O4	204.179	4	1	63.6	2	1	0	-0.6342	1.13278	2.23	2.864	27.0539	54.1378	1.4181	182.541526781178
Cond-007671	NPD7695	NPD7695	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9596662031	COc1c(OC)cc2CN(CCc2c1)C(=O)CCC(=O)O	InChI=1S/C15H19NO5/c1-20-12-7-10-5-6-16(14(17)3-4-15(18)19)9-11(10)8-13(12)21-2/h7-8H,3-6,9H2,1-2H3,(H,18,19)	C15H19NO5	293.315	6	1	76.07	2	6	0	-0.6298	1.34769	2.45	0.446	52.267	78.0238000000001	2.1832	274.148910894173
Cond-007672	NPD7696	NPD7696	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6912378303	CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C	InChI=1S/C21H27NO6S/c1-12-11-17(23)27-18-13(2)16(8-7-14(12)18)26-19(24)15(9-10-29-6)22-20(25)28-21(3,4)5/h7-8,11,15H,9-10H2,1-6H3,(H,22,25)/t15-/m1/s1	C21H27NO6S	421.507	7	1	116.23	2	10	0	2.4763	4.69619	2.89	4.586	85.3411	117.7287	3.1648	399.951152005935
Cond-007673	NPD7697	NPD7697	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2267037552	CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C23H23NO6S/c1-15-12-21(25)30-20-13-17(8-9-18(15)20)29-22(26)19(10-11-31-2)24-23(27)28-14-16-6-4-3-5-7-16/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,24,27)/t19-/m1/s1	C23H23NO6S	441.497	7	1	116.23	3	11	2	0.812299999999999	4.17487	3.11	6.082	65.0507	121.3987	3.209	403.377286454469
Cond-007674	NPD7698	NPD7698	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.3393602225	CCn1cc(C2N3C[C@]4(C)CN2C[C@](CC)(C3)C4=O)c2c1cccc2	InChI=1S/C21H27N3O/c1-4-21-13-23-11-20(3,19(21)25)12-24(14-21)18(23)16-10-22(5-2)17-9-7-6-8-15(16)17/h6-10,18H,4-5,11-14H2,1-3H3/t18?,20-,21+	C21H27N3O	337.459	4	0	28.48	2	3	0	0.516400000000001	3.57438	3.33	2.397	67.1504	102.843	2.6676	316.788056161063
Cond-007675	NPD7699	NPD7699	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.4436717663	[C@H]1(C)[C@H](OC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3	InChI=1S/C24H35NO11/c1-12-4-5-15-13(2)21(33-22-24(15)14(12)10-11-23(3,34-22)35-36-24)32-19(29)9-7-17(26)25-16(20(30)31)6-8-18(27)28/h12-16,21-22H,4-11H2,1-3H3,(H,25,26)(H,27,28)(H,30,31)/t12-,13-,14+,15+,16+,21-,22-,23+,24?/m1/s1	C24H35NO11	513.535	12	3	166.92	3	11	2	-0.837199999999999	2.18589	2.78	2.098	107.0925	121.8333	3.6293	471.377674029541
Cond-007676	NPD77	NPD77	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7200041267	CCN(CC)c1cc2c(cc1)cc(C(=O)c1cc3c(oc1=O)cc(cc3)N(CC)CC)c(=O)o2	InChI=1S/C27H28N2O5/c1-5-28(6-2)19-11-9-17-13-21(26(31)33-23(17)15-19)25(30)22-14-18-10-12-20(29(7-3)8-4)16-24(18)34-27(22)32/h9-16H,5-8H2,1-4H3	C27H28N2O5	460.522	7	0	76.15	4	8	1	1.5356	4.62236000000001	3.66	5.248	81.8844	135.417	3.4986	441.265817006341
Cond-007677	NPD770	NPD770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8831930389	CC(C)(CNC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(O)C(=O)O	InChI=1S/C29H43NO7/c1-27(2,25(34)26(35)36)16-30-23(32)9-10-24(33)37-22-8-7-20-19-6-5-17-15-18(31)11-13-28(17,3)21(19)12-14-29(20,22)4/h15,19-22,25,34H,5-14,16H2,1-4H3,(H,30,32)(H,35,36)/t19?,20?,21?,22?,25?,28-,29-/m0/s1	C29H43NO7	517.654	8	3	130	4	10	0	0.134099999999998	3.95828000000001	3.77	3.361	133.6487	139.2303	4.056	520.060231655831
Cond-007678	NPD7700	NPD7700	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	28.4840055633	CC(C)CCCN1C(=NC(=O)C2(Cc3c(cccc3)N3CCN(CC23)c2ccccc2)C1=O)O	InChI=1S/C27H32N4O3/c1-19(2)9-8-14-31-25(33)27(24(32)28-26(31)34)17-20-10-6-7-13-22(20)30-16-15-29(18-23(27)30)21-11-4-3-5-12-21/h3-7,10-13,19,23H,8-9,14-18H2,1-2H3,(H,28,32,34)	C27H32N4O3	460.568	7	1	76.45	5	5	1	-0.318400000000001	4.30197000000001	3.66	6.132	77.5559	137.7058	3.5582	438.595342722353
Cond-007679	NPD7701	NPD7701	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5938803894	CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc12	InChI=1S/C16H19NO4/c1-15(2)8-13(18)11(9-21-15)16(20)10-6-4-5-7-12(10)17(3)14(16)19/h4-7,11,20H,8-9H2,1-3H3	C16H19NO4	289.326	5	1	66.84	3	1	0	-1.1998	1.70939	2.67	1.038	51.6219	80.0488	2.1568	270.298210118678
Cond-007680	NPD7702	NPD7702	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6815020862	Cc1ccc2NC(=O)C(O)(C3COC(C)(C)CC3=O)c2c1	InChI=1S/C16H19NO4/c1-9-4-5-12-10(6-9)16(20,14(19)17-12)11-8-21-15(2,3)7-13(11)18/h4-6,11,20H,7-8H2,1-3H3,(H,17,19)	C16H19NO4	289.326	5	2	75.63	3	1	0	-0.660099999999999	1.78611	2.67	1.648	51.4273	78.7275	2.1568	270.298210118678
Cond-007681	NPD7704	NPD7704	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.2155771905	Cc1c2oc(=O)c3c(cccc3)c2ccc1OCc1ccc(o1)C(=O)O	InChI=1S/C20H14O6/c1-11-16(24-10-12-6-8-17(25-12)19(21)22)9-7-14-13-4-2-3-5-15(13)20(23)26-18(11)14/h2-9H,10H2,1H3,(H,21,22)	C20H14O6	350.322	6	1	85.97	4	4	0	0.0145	3.99801	3	4.662	26.9635	98.3813000000001	2.4144	298.727089610301
Cond-007682	NPD7705	NPD7705	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3671766342	CN(C)C(=O)COc1cc(O)c2c(=O)cc(oc2c1)c1ccccc1	InChI=1S/C19H17NO5/c1-20(2)18(23)11-24-13-8-14(21)19-15(22)10-16(25-17(19)9-13)12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3	C19H17NO5	339.342	6	1	76.07	3	5	0	-1.75	2.76187	2.89	2.996	44.1169	95.6938	2.4662	309.53055589364
Cond-007683	NPD7706	NPD7706	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9109874826	Cn1c(=O)n(C)c2nc3c(ccc(NC(=O)/C=C/C(=O)O)c3)nc2c1=O	InChI=1S/C16H13N5O5/c1-20-14-13(15(25)21(2)16(20)26)18-9-4-3-8(7-10(9)19-14)17-11(22)5-6-12(23)24/h3-7H,1-2H3,(H,17,22)(H,23,24)/b6-5+	C16H13N5O5	355.305	10	2	132.8	3	4	0	-1.1668	2.42145	2.12	-0.039	51.1067	96.134	2.3997	298.993184147907
Cond-007684	NPD7707	NPD7707	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.2934631433	[Na+].[C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(OC=O)c1ccccc1)C(=O)[O-])CSc1nnnn1C	InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14?,17-;/m1./s1	C19H17N6NaO6S2	512.495	12	1	210.04	4	10	1	-1.3839	-2.75874	2.01	1.214	79.324	111.7977	3.1778	394.011484998235
Cond-007685	NPD7708	NPD7708	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.561891516	Cc1cc(=O)oc2c1ccc(OC(=O)c1ccco1)c2	InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3	C15H10O5	270.237	5	0	65.74	3	3	0	0.4712	3.37307	2.56	3.057	28.728	73.6365	1.8458	231.986315882806
Cond-007686	NPD7709	NPD7709	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.5674547983	S=C(Nc1ccccc1)N1CCCCC1c1cnccc1	InChI=1S/C17H19N3S/c21-17(19-15-8-2-1-3-9-15)20-12-5-4-10-16(20)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,19,21)	C17H19N3S	297.418	3	1	60.25	3	4	1	-0.631400000000001	4.26459	2.89	5.131	34.7784	89.6627	2.34	276.762915014634
Cond-007687	NPD771	NPD771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.082137508	COCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N(C)Cc1ccccc1	InChI=1S/C18H23N5O3/c1-20(12-13-8-6-5-7-9-13)17-19-15-14(23(17)10-11-26-4)16(24)22(3)18(25)21(15)2/h5-9H,10-12H2,1-4H3	C18H23N5O3	357.407	8	0	70.91	3	6	0	-0.4349	2.24697	2.56	2.187	59.2226	102.892	2.6931	323.914076100919
Cond-007688	NPD7710	NPD7710	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.3073713491	COc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3	C15H16N4O3	300.313	7	0	67.67	3	3	0	-0.5736	1.82249	2.34	1.206	41.2035	83.523	2.1706	261.029362015151
Cond-007689	NPD7711	NPD7711	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.386648122	Cn1cnc2c1c(=O)n(C/C=C/c1ccccc1)c(=O)n2C	InChI=1S/C16H16N4O2/c1-18-11-17-14-13(18)15(21)20(16(22)19(14)2)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+	C16H16N4O2	296.324	6	0	58.44	3	3	0	-0.0540000000000002	2.33637	2.56	3.682	44.2063	86.52	2.2098	266.898661239656
Cond-007690	NPD7712	NPD7712	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.043115438	Cn1c(Oc2cc3c(OCO3)cc2)nc2c1c(=O)n(C)c(=O)n2C	InChI=1S/C15H14N4O5/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)24-8-4-5-9-10(6-8)23-7-22-9/h4-6H,7H2,1-3H3	C15H14N4O5	330.295	9	0	86.13	4	2	0	-0.8879	3.36325	2.12	0.797	43.9634	90.965	2.1794	266.253356715473
Cond-007691	NPD7713	NPD7713	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.6662030598	COc1ccc(cc1OC)C1=C(/C=N/CCc2c[nH]c3c2cccc3)C(c2c(C)cccc2)c2c(O1)cccc2	InChI=1S/C35H32N2O3/c1-23-10-4-5-11-26(23)34-28-13-7-9-15-31(28)40-35(24-16-17-32(38-2)33(20-24)39-3)29(34)22-36-19-18-25-21-37-30-14-8-6-12-27(25)30/h4-17,20-22,34,37H,18-19H2,1-3H3/b36-22+	C35H32N2O3	528.64	5	1	55.84	6	8	1	-0.135899999999999	7.63929	4.76	10	53.6547	163.449	4.11920000000001	494.094488407353
Cond-007692	NPD7714	NPD7714	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.107093185	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)Cc6c([nH]c7c6cccc7)C(C)(C)C5CC[C@@]34C)C2C1	InChI=1S/C37H49NO3/c1-32(2)28-13-14-37(7)29(35(28,5)20-23-22-11-9-10-12-26(22)38-30(23)32)27(39)19-24-25-21-34(4,31(40)41-8)16-15-33(25,3)17-18-36(24,37)6/h9-12,19,25,28-29,38H,13-18,20-21H2,1-8H3/t25?,28?,29?,33-,34+,35+,36-,37-/m1/s1	C37H49NO3	555.79	4	1	59.16	7	2	1	2.7062	8.36396	5.09	9.383	133.2109	167.639	4.5366	559.124908356518
Cond-007693	NPD7716	NPD7716	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3977746871	O=N(=O)c1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C17H15N3O2/c21-20(22)12-7-5-11(6-8-12)16-17-14(9-10-18-16)13-3-1-2-4-15(13)19-17/h1-8,16,18-19H,9-10H2	C17H15N3O2	293.32	5	2	70.96	4	2	0	0.0361	3.29758	2.78	4.174	23.0519	87.6957	2.1423	249.941426956556
Cond-007694	NPD7717	NPD7717	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.005563282	CC(=C)CSc1nc2c(c(=O)n1C1CCOC(C)(C)C1)C1(CCCC1)Cc1c2cccc1	InChI=1S/C27H34N2O2S/c1-18(2)17-32-25-28-23-21-10-6-5-9-19(21)15-27(12-7-8-13-27)22(23)24(30)29(25)20-11-14-31-26(3,4)16-20/h5-6,9-10,20H,1,7-8,11-17H2,2-4H3	C27H34N2O2S	450.636	4	0	67.2	5	4	1	1.5038	5.85436000000001	3.88	6.424	102.6384	135.299	3.5494	442.493537064658
Cond-007695	NPD7718	NPD7718	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.611961057	COc1cc(ccc1O)C1N2C[C@@]3(C)CN1C[C@@](C)(C2)C3O	InChI=1S/C17H24N2O3/c1-16-7-18-9-17(2,15(16)21)10-19(8-16)14(18)11-4-5-12(20)13(6-11)22-3/h4-6,14-15,20-21H,7-10H2,1-3H3/t14?,15?,16-,17+	C17H24N2O3	304.384	5	2	56.17	1	2	0	-0.2734	1.44719	2.78	0.91	59.9104	84.4078000000001	2.3162	282.717186952951
Cond-007696	NPD7719	NPD7719	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0375521558	CC(=CC1(C)N2C[C@]3(C)CN1C[C@](C)(C2)C3=O)C	InChI=1S/C15H24N2O/c1-11(2)6-15(5)16-7-13(3)8-17(15)10-14(4,9-16)12(13)18/h6H,7-10H2,1-5H3/t13-,14+,15?	C15H24N2O	248.364	3	0	23.55	0	1	0	1.9809	2.05538	2.78	0.614	74.538	75.176	2.0686	256.437681701695
Cond-007697	NPD772	NPD772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.833415041	CC(=O)OC[C@H]1O[C@@H](Oc2c(cccc2)N(=O)=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-8-6-5-7-14(15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1	C20H23NO12	469.396	13	0	166.8	2	12	1	-0.0307000000000013	1.65038	2.23	2.285	75.4739	112.858	3.1696	414.251044825035
Cond-007698	NPD7720	NPD7720	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9040333797	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1ccco1)(C(C)C)C2=O	InChI=1S/C18H26N2O2/c1-12(2)17-8-19-10-18(13(3)4,16(17)21)11-20(9-17)15(19)14-6-5-7-22-14/h5-7,12-13,15H,8-11H2,1-4H3/t15?,17-,18+	C18H26N2O2	302.411	4	0	36.69	1	3	0	0.193300000000002	2.65049	3	2.273	68.564	89.0380000000001	2.3984	291.222944878257
Cond-007699	NPD7721	NPD7721	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2851182197	CC(C)[C@]12CN3C[C@@](CN(C1)C3c1ccc(cc1)N(C)C)(C(C)C)C2=O	InChI=1S/C22H33N3O/c1-15(2)21-11-24-13-22(16(3)4,20(21)26)14-25(12-21)19(24)17-7-9-18(10-8-17)23(5)6/h7-10,15-16,19H,11-14H2,1-6H3/t19?,21-,22+	C22H33N3O	355.517	4	0	26.79	1	4	0	0.565200000000001	3.14269	3.44	3.265	81.2363	108.67	2.9601	359.97695818853
Cond-007700	NPD7722	NPD7722	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6717663421	O=C(NCC1OCCc2c1cccc2)c1ccccc1	InChI=1S/C17H17NO2/c19-17(14-7-2-1-3-8-14)18-12-16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16H,10-12H2,(H,18,19)	C17H17NO2	267.322	3	1	38.33	3	4	1	-0.5605	2.35769	3	5.048	26.3347	79.8577	2.0943	253.840823941823
Cond-007701	NPD7723	NPD7723	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.175243394	Oc1ccc(/C=N/CC2OCCc3c2cccc3)cc1	InChI=1S/C17H17NO2/c19-15-7-5-13(6-8-15)11-18-12-17-16-4-2-1-3-14(16)9-10-20-17/h1-8,11,17,19H,9-10,12H2/b18-11+	C17H17NO2	267.322	3	1	41.82	3	3	0	-0.6444	3.15459	3	4.284	28.822	81.048	2.0943	253.840823941823
Cond-007702	NPD7724	NPD7724	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.5910987483	CC(NC(=O)/C=C/c1ccccc1)C1COc2c(O1)cccc2	InChI=1S/C19H19NO3/c1-14(18-13-22-16-9-5-6-10-17(16)23-18)20-19(21)12-11-15-7-3-2-4-8-15/h2-12,14,18H,13H2,1H3,(H,20,21)/b12-11+	C19H19NO3	309.359	4	1	47.56	3	5	1	-0.6198	3.59647	3.11	5.679	38.3299	93.6757	2.3918	294.586561193318
Cond-007703	NPD7725	NPD7725	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.038942976	O=C1CCCCCCCCC(=O)CCCCCCCC1	InChI=1S/C18H32O2/c19-17-13-9-5-1-2-6-10-14-18(20)16-12-8-4-3-7-11-15-17/h1-16H2	C18H32O2	280.445	2	0	34.14	1	0	1	-3.8444	5.61369000000001	3.22	5.254	63.828	87.1290000000001	2.5676	319.835259265124
Cond-007704	NPD7726	NPD7726	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.445062587	COc1cc2c(cc1OC)c(=O)n(CC(=O)N)cn2	InChI=1S/C12H13N3O4/c1-18-9-3-7-8(4-10(9)19-2)14-6-15(12(7)17)5-11(13)16/h3-4,6H,5H2,1-2H3,(H2,13,16)	C12H13N3O4	263.249	7	2	94.22	2	4	0	-1.6092	0.43628	2.01	-0.722	41.6276	71.9869	1.8584	232.827792031545
Cond-007705	NPD7728	NPD7728	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.692098093	COc1cc2c(cc1OC)C1(CCCC1)CNC2C	InChI=1S/C16H23NO2/c1-11-12-8-14(18-2)15(19-3)9-13(12)16(10-17-11)6-4-5-7-16/h8-9,11,17H,4-7,10H2,1-3H3	C16H23NO2	261.359	3	1	30.49	3	2	0	-1.3325	3.33949	2.89	2.998	50.1149	77.3927000000001	2.1254	257.990674119156
Cond-007706	NPD7729	NPD7729	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.359673024	CC(C)COc1ccc(cc1)C1NC(=O)NC1=O	InChI=1S/C13H16N2O3/c1-8(2)7-18-10-5-3-9(4-6-10)11-12(16)15-13(17)14-11/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17)	C13H16N2O3	248.278	5	2	67.43	2	4	0	-0.4779	0.858790000000001	2.34	2.123	38.806	68.2664	1.8838	232.973248449484
Cond-007707	NPD773	NPD773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7106507265	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCC(=O)c1ccc(Cl)cc1	InChI=1S/C24H17ClO4/c1-15-22(28-14-21(26)17-7-9-18(25)10-8-17)12-11-19-20(13-23(27)29-24(15)19)16-5-3-2-4-6-16/h2-13H,14H2,1H3	C24H17ClO4	404.842	4	0	52.6	4	5	1	0.841	6.08789	3.55	7.249	37.9599	117.0845	2.897	360.26872508148
Cond-007708	NPD7730	NPD7730	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0871934605	CC1C(=O)CCC1(C(=O)O)c1ccccc1	InChI=1S/C13H14O3/c1-9-11(14)7-8-13(9,12(15)16)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)	C13H14O3	218.248	3	1	54.37	2	2	0	-0.4814	2.24189	2.56	2.804	33.9545	62.4038	1.6842	210.97972803315
Cond-007709	NPD7731	NPD7731	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.501362398	CC1C(O)CCC1(C(=O)O)c1ccccc1	InChI=1S/C13H16O3/c1-9-11(14)7-8-13(9,12(15)16)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H,15,16)	C13H16O3	220.264	3	2	57.53	2	2	0	-1.2125	2.03369	2.56	3.217	32.1146	63.4036	1.7272	213.61618673395
Cond-007710	NPD7732	NPD7732	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.577656676	COc1ccc(CC(C(=O)O)C(=O)O)cc1OC	InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	C12H14O6	254.236	6	2	93.06	1	6	0	-0.406700000000001	1.26559	2.12	1.237	37.4464	65.2546	1.828	232.410882209767
Cond-007711	NPD7733	NPD7733	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	105.983651226	CC(=O)N/C(=C/c1ccc2OCOc2c1)/C(=O)O	InChI=1S/C12H11NO5/c1-7(14)13-9(12(15)16)4-8-2-3-10-11(5-8)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/b9-4+	C12H11NO5	249.219	6	2	84.86	2	4	0	-1.1464	1.52887	2.12	1.256	37.2036	66.2365	1.7175	219.624498315773
Cond-007712	NPD7734	NPD7734	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.081743869	OC(=O)C1(CCCC1)c1cc2c(OCCO2)cc1	InChI=1S/C14H16O4/c15-13(16)14(5-1-2-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,1-2,5-8H2,(H,15,16)	C14H16O4	248.274	4	1	55.76	3	2	0	-1.3458	3.08888	2.56	2.219	38.0564	70.5178000000001	1.8182	227.345939359578
Cond-007713	NPD7735	NPD7735	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6866485014	CC(NC(=O)CCCCCCC(=O)NC(C)C1COc2c(O1)cccc2)C1COc2c(O1)cccc2	InChI=1S/C28H36N2O6/c1-19(25-17-33-21-11-7-9-13-23(21)35-25)29-27(31)15-5-3-4-6-16-28(32)30-20(2)26-18-34-22-12-8-10-14-24(22)36-26/h7-14,19-20,25-26H,3-6,15-18H2,1-2H3,(H,29,31)(H,30,32)	C28H36N2O6	496.595	8	2	95.12	4	13	1	-3.0442	5.25187000000001	3.66	4.694	76.9176	142.9824	3.8272	475.26140443517
Cond-007714	NPD7736	NPD7736	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.74386921	COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2NC(=O)c1ccccc1)(c1ccccc1)c1ccc(OC)cc1	InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1	C38H35N5O6	657.714	11	2	129.85	7	12	2	-2.0236	6.03887000000001	4.43	8.505	50.674	184.7065	4.82280000000001	576.814026908734
Cond-007715	NPD7737	NPD7737	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0081743869	COc1cc(OC)c(/C=N/CC2COc3c(O2)cccc3)cc1OC	InChI=1S/C19H21NO5/c1-21-17-9-19(23-3)18(22-2)8-13(17)10-20-11-14-12-24-15-6-4-5-7-16(15)25-14/h4-10,14H,11-12H2,1-3H3/b20-10+	C19H21NO5	343.374	6	0	58.51	3	6	0	-0.749200000000001	3.36978	2.89	2.848	45.3721	97.7880000000001	2.5522	314.80347329524
Cond-007716	NPD7738	NPD7738	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.032697548	CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(C)ccc12	InChI=1S/C17H21NO4/c1-10-5-6-13-11(7-10)17(21,15(20)18(13)4)12-9-22-16(2,3)8-14(12)19/h5-7,12,21H,8-9H2,1-4H3	C17H21NO4	303.353	5	1	66.84	3	1	0	-0.557799999999999	1.73741	2.78	1.361	57.124	83.6888	2.2977	287.594194744545
Cond-007717	NPD774	NPD774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.323659182	CCCCCCCCCCCCCCC(=O)N[C@H]1C(OC(=O)Cc2ccccc2)O[C@](C)(COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C36H55NO10/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-30(41)37-32-33(44-27(3)39)34(45-28(4)40)36(5,25-43-26(2)38)47-35(32)46-31(42)24-29-21-18-17-19-22-29/h17-19,21-22,32-35H,6-16,20,23-25H2,1-5H3,(H,37,41)/t32-,33-,34+,35?,36-/m1/s1	C36H55NO10	661.823	11	1	143.53	2	26	3	-4.3115	6.12369000000001	4.21	10.414	126.5558	178.1257	5.3066	673.406345437777
Cond-007718	NPD7740	NPD7740	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7765667575	O=c1[nH]c(/C=C/c2cc3c(OCO3)cc2)nc2c1cccc2	InChI=1S/C17H12N2O3/c20-17-12-3-1-2-4-13(12)18-16(19-17)8-6-11-5-7-14-15(9-11)22-10-21-14/h1-9H,10H2,(H,18,19,20)/b8-6+	C17H12N2O3	292.289	5	1	59.92	4	2	0	-0.5417	3.08626	2.78	3.574	31.3557	87.4377	2.0582	255.998434748151
Cond-007719	NPD7741	NPD7741	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1498637602	CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccccc1)C2=O	InChI=1S/C18H24N2O/c1-3-17-10-19-12-18(4-2,16(17)21)13-20(11-17)15(19)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15?,17-,18+	C18H24N2O	284.396	3	0	23.55	1	3	0	-0.184600000000001	2.58469	3.11	3.283	59.1103	85.2490000000001	2.2967	279.796259476896
Cond-007720	NPD7742	NPD7742	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7465940054	C[C@]12CN3C[C@](C)(CN(C1)C3c1ccccc1N(=O)=O)C2=O	InChI=1S/C16H19N3O3/c1-15-7-17-9-16(2,14(15)20)10-18(8-15)13(17)11-5-3-4-6-12(11)19(21)22/h3-6,13H,7-10H2,1-2H3/t13?,15-,16+	C16H19N3O3	301.34	6	0	66.69	1	2	0	1.1457	2.18829	2.56	1.61	53.3035	85.918	2.1891	271.145045133651
Cond-007721	NPD7743	NPD7743	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.0653950954	CCOC(=O)C(Cc1cc(ccc1OCC)C(=O)C)C(=O)OCC	InChI=1S/C18H24O6/c1-5-22-16-9-8-13(12(4)19)10-14(16)11-15(17(20)23-6-2)18(21)24-7-3/h8-10,15H,5-7,11H2,1-4H3	C18H24O6	336.38	6	0	78.9	1	11	1	0.644399999999999	2.80669	2.78	3.094	63.3206	91.3185	2.6304	333.550331264168
Cond-007722	NPD7744	NPD7744	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.825613079	CC(C)Oc1c(C)cc(Cc2c(O)nc(N)nc2O)cc1	InChI=1S/C15H19N3O3/c1-8(2)21-12-5-4-10(6-9(12)3)7-11-13(19)17-15(16)18-14(11)20/h4-6,8H,7H2,1-3H3,(H4,16,17,18,19,20)	C15H19N3O3	289.33	6	4	101.49	2	4	0	-0.6742	3.4796	2.45	2.092	36.2688	84.4992	2.2224	265.025519208584
Cond-007723	NPD7745	NPD7745	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.3133514986	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1cc3c(OCO3)cc1)(C(C)C)C2=O	InChI=1S/C21H28N2O3/c1-13(2)20-8-22-10-21(14(3)4,19(20)24)11-23(9-20)18(22)15-5-6-16-17(7-15)26-12-25-16/h5-7,13-14,18H,8-12H2,1-4H3/t18?,20-,21+	C21H28N2O3	356.459	5	0	42.01	2	3	0	0.0447000000000017	3.30618	3.22	2.705	74.417	102.527	2.7282	336.908208054819
Cond-007724	NPD7746	NPD7746	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0871934605	CC[C@@]12CN3C[C@@](CC)(CN(C1)C3c1ccc(Cl)cc1)C2=O	InChI=1S/C18H23ClN2O/c1-3-17-9-20-11-18(4-2,16(17)22)12-21(10-17)15(20)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3/t15?,17-,18+	C18H23ClN2O	318.841	3	0	23.55	1	3	0	0.559699999999999	3.23809	3	2.746	64.7259	90.259	2.4191	295.007327247329
Cond-007725	NPD7747	NPD7747	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6267029973	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1ccccc1)(C(C)C)C2O	InChI=1S/C20H30N2O/c1-14(2)19-10-21-12-20(15(3)4,18(19)23)13-22(11-19)17(21)16-8-6-5-7-9-16/h5-9,14-15,17-18,23H,10-13H2,1-4H3/t17?,18?,19-,20+	C20H30N2O	314.465	3	1	26.71	1	3	1	0.100500000000001	2.6346	3.33	5.104	67.5614	92.0998000000001	2.6215	317.02468742943
Cond-007726	NPD7748	NPD7748	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1117166213	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1cccc(c1)N(=O)=O)(C(C)C)C2O	InChI=1S/C20H29N3O3/c1-13(2)19-9-21-11-20(14(3)4,18(19)24)12-22(10-19)17(21)15-6-5-7-16(8-15)23(25)26/h5-8,13-14,17-18,24H,9-12H2,1-4H3/t17?,18?,19-,20+	C20H29N3O3	359.463	6	1	69.85	1	4	0	0.760600000000002	2.96369	3	4.358	71.4514	101.7368	2.7957	342.965442337919
Cond-007727	NPD7749	NPD7749	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.583106267	CC(C)[C@@]12CN3C[C@](CN(C1)C3c1ccc(cc1)N(=O)=O)(C(C)C)C2O	InChI=1S/C20H29N3O3/c1-13(2)19-9-21-11-20(14(3)4,18(19)24)12-22(10-19)17(21)15-5-7-16(8-6-15)23(25)26/h5-8,13-14,17-18,24H,9-12H2,1-4H3/t17?,18?,19-,20+	C20H29N3O3	359.463	6	1	69.85	1	4	0	0.760600000000002	2.96369	3	4.358	71.4514	101.7368	2.7957	342.965442337919
Cond-007728	NPD775	NPD775	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9014376132	Cc1c(C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(CCCC2)o1	InChI=1S/C21H24N2O3/c1-13-20(16-5-2-3-7-18(16)26-13)21(25)22-10-14-9-15(12-22)17-6-4-8-19(24)23(17)11-14/h4,6,8,14-15H,2-3,5,7,9-12H2,1H3/t14-,15-/m0/s1	C21H24N2O3	352.427	5	0	53.76	5	2	0	-1.3751	2.62769	3.22	1.805	81.8724	100.5585	2.6422	331.635290653219
Cond-007729	NPD7750	NPD7750	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9536784741	C[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(o1)N(=O)=O)C2=O	InChI=1S/C14H17N3O4/c1-13-5-15-7-14(2,12(13)18)8-16(6-13)11(15)9-3-4-10(21-9)17(19)20/h3-4,11H,5-8H2,1-2H3/t11?,13-,14+	C14H17N3O4	291.302	7	0	79.83	1	2	0	0.991600000000001	1.14549	2.23	0.183	54.9226	79.238	2.009	247.979761283278
Cond-007730	NPD7752	NPD7752	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9128065395	CC1(C)CC(CCNC(=O)CCC(=O)O)(CCO1)c1ccccc1	InChI=1S/C19H27NO4/c1-18(2)14-19(11-13-24-18,15-6-4-3-5-7-15)10-12-20-16(21)8-9-17(22)23/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23)	C19H27NO4	333.422	5	2	75.63	2	8	0	0.120800000000001	3.11839	3	4.376	64.8494	95.1245000000001	2.6881	334.542622697079
Cond-007731	NPD7753	NPD7753	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2479564033	CCC1(C)CC(CCNCc2c(O)cccc2)(CCO1)c1ccc(OC)cc1	InChI=1S/C24H33NO3/c1-4-23(2)18-24(14-16-28-23,20-9-11-21(27-3)12-10-20)13-15-25-17-19-7-5-6-8-22(19)26/h5-12,25-26H,4,13-18H2,1-3H3	C24H33NO3	383.524	4	2	50.72	3	8	1	-0.671299999999999	4.88340000000001	3.66	5.931	62.0606	114.9137	3.1823	386.339401724253
Cond-007732	NPD7754	NPD7754	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2561307902	COc1ccccc1C(CC(=N)O)c1ccco1	InChI=1S/C14H15NO3/c1-17-12-6-3-2-5-10(12)11(9-14(15)16)13-7-4-8-18-13/h2-8,11H,9H2,1H3,(H2,15,16)	C14H15NO3	245.274	4	2	66.45	2	5	0	-0.287	3.88169	2.56	3.312	25.5334	71.4035000000001	1.8819	225.736014166384
Cond-007733	NPD7755	NPD7755	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9400544959	OC(=O)c1ccccc1C(=O)NCCC(c1ccccc1)c1cc2c(OCO2)cc1	InChI=1S/C24H21NO5/c26-23(19-8-4-5-9-20(19)24(27)28)25-13-12-18(16-6-2-1-3-7-16)17-10-11-21-22(14-17)30-15-29-21/h1-11,14,18H,12-13,15H2,(H,25,26)(H,27,28)	C24H21NO5	403.427	6	2	84.86	4	8	1	-1.5846	4.51798	3.44	6.927	33.5364	115.357	2.9761	367.481102920574
Cond-007734	NPD7756	NPD7756	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.4196185286	COc1ccc(NC(=O)CC(c2ccco2)c2ccccc2OC)cc1	InChI=1S/C21H21NO4/c1-24-16-11-9-15(10-12-16)22-21(23)14-18(20-8-5-13-26-20)17-6-3-4-7-19(17)25-2/h3-13,18H,14H2,1-2H3,(H,22,23)	C21H21NO4	351.396	5	1	60.7	3	8	0	-0.892	5.83028	3.22	4.584	31.8143	104.6717	2.6893	324.432298444813
Cond-007735	NPD7757	NPD7757	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.378746594	CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)O	InChI=1S/C12H15NO4/c1-7(2)10(12(16)17)13-11(15)8-3-5-9(14)6-4-8/h3-7,10,14H,1-2H3,(H,13,15)(H,16,17)	C12H15NO4	237.252	5	3	86.63	1	5	0	-0.919100000000001	1.46509	2.23	1.423	34.816	65.0778000000001	1.8104	225.827189016811
Cond-007736	NPD7758	NPD7758	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5504087193	OC(=O)CCCCCNC(=O)c1cccnc1	InChI=1S/C12H16N2O3/c15-11(16)6-2-1-3-8-14-12(17)10-5-4-7-13-9-10/h4-5,7,9H,1-3,6,8H2,(H,14,17)(H,15,16)	C12H16N2O3	236.267	5	2	79.29	1	8	0	-1.6922	1.69029	2.23	1.041	32.657	65.917	1.8515	228.033722524417
Cond-007737	NPD7759	NPD7759	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6675749319	C(N1CCCCC1c1cnccc1)c1ccc2OCOc2c1	InChI=1S/C18H20N2O2/c1-2-9-20(16(5-1)15-4-3-8-19-11-15)12-14-6-7-17-18(10-14)22-13-21-17/h3-4,6-8,10-11,16H,1-2,5,9,12-13H2	C18H20N2O2	296.364	4	0	34.59	4	3	0	-1.1807	3.35769	3	3.157	31.9272	84.3310000000001	2.2694	272.413568775857
Cond-007738	NPD776	NPD776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.307736335	COc1cc(CN2CCc3c(C2)cc(OC)c(OC)c3)ccc1OCc1ccccc1	InChI=1S/C26H29NO4/c1-28-24-13-20(9-10-23(24)31-18-19-7-5-4-6-8-19)16-27-12-11-21-14-25(29-2)26(30-3)15-22(21)17-27/h4-10,13-15H,11-12,16-18H2,1-3H3	C26H29NO4	419.513	5	0	40.16	4	8	1	0.00570000000000049	4.33199	3.77	5.582	49.7651	120.925	3.2852	398.555762873347
Cond-007739	NPD7760	NPD7760	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7465940054	CC(C)Oc1ccc(cc1)C1CC(=O)N(C1=O)c1cccc(c1)C(=O)O	InChI=1S/C20H19NO5/c1-12(2)26-16-8-6-13(7-9-16)17-11-18(22)21(19(17)23)15-5-3-4-14(10-15)20(24)25/h3-10,12,17H,11H2,1-2H3,(H,24,25)	C20H19NO5	353.369	6	1	83.91	3	5	0	-1.2099	3.18749	3	3.325	44.5875	98.4798000000001	2.6071	326.826540519507
Cond-007740	NPD7761	NPD7761	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.8855585831	[NH3+]C(CC(=O)c1c(Cl)c(Cl)c(Cl)s1)C(=O)[O-]	InChI=1S/C8H6Cl3NO3S/c9-4-5(10)7(11)16-6(4)3(13)1-2(12)8(14)15/h2H,1,12H2,(H,14,15)	C8H6Cl3NO3S	302.562	4	3	113.08	1	4	0	-0.1347	0.87539	1.46	0.501	43.2864	63.2226	1.7618	214.631709882483
Cond-007741	NPD7762	NPD7762	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5231607629	CC(C)CNCC1OCc2ccccc2CO1	InChI=1S/C14H21NO2/c1-11(2)7-15-8-14-16-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14-15H,7-10H2,1-2H3	C14H21NO2	235.322	3	1	30.49	2	4	0	0.0229000000000007	1.6261	2.67	2.872	42.8323	66.0037	1.9522	235.755163568223
Cond-007742	NPD7764	NPD7764	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0435967302	O=C(N1CCCC1)C1(CCOCC1)c1ccccc1	InChI=1S/C16H21NO2/c18-15(17-10-4-5-11-17)16(8-12-19-13-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2	C16H21NO2	259.343	3	0	29.54	3	3	0	-1.1771	2.59109	2.89	3.482	45.2567	77.23	2.0824	255.354215418356
Cond-007743	NPD7765	NPD7765	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2261580381	O=C(NCC1(CCOCC1)c1ccccc1)C1COc2c(O1)cccc2	InChI=1S/C21H23NO4/c23-20(19-14-25-17-8-4-5-9-18(17)26-19)22-15-21(10-12-24-13-11-21)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,22,23)	C21H23NO4	353.412	5	1	56.79	4	5	0	-1.0664	3.42568	3.22	4.823	45.9945	102.8397	2.6667	328.248757145613
Cond-007744	NPD7766	NPD7766	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7520435967	CC(Cc1ccccc1)NC(=O)C1(CCOCC1)c1ccccc1	InChI=1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23)	C21H25NO2	323.429	3	1	38.33	3	6	1	-0.561	3.71609	3.44	6.982	44.1711	99.1667	2.6579	323.024762445291
Cond-007745	NPD7767	NPD7767	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.7329700272	COc1c(OC)cc(/C=C/C(=O)NC(C)CCc2ccccc2)cc1	InChI=1S/C21H25NO3/c1-16(9-10-17-7-5-4-6-8-17)22-21(23)14-12-18-11-13-19(24-2)20(15-18)25-3/h4-8,11-16H,9-10H2,1-3H3,(H,22,23)/b14-12+	C21H25NO3	339.428	4	1	47.56	2	9	1	-0.602	3.90568	3.33	6.257	49.3902	103.1287	2.7822	341.534989145852
Cond-007746	NPD7768	NPD7768	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5558583106	CC(CCc1ccccc1)NC(=O)/C=C/c1ccco1	InChI=1S/C17H19NO2/c1-14(9-10-15-6-3-2-4-7-15)18-17(19)12-11-16-8-5-13-20-16/h2-8,11-14H,9-10H2,1H3,(H,18,19)/b12-11+	C17H19NO2	269.338	3	1	42.24	2	7	1	-0.6525	3.48148	3	5.755	36.3777	82.2907	2.2029	266.197282642623
Cond-007747	NPD7769	NPD7769	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1771117166	C[N+]12CCCCC1C(CCC2)OC(=O)C1(CCCC1)c1ccccc1	InChI=1S/C22H32NO2/c1-23-16-8-5-12-19(23)20(13-9-17-23)25-21(24)22(14-6-7-15-22)18-10-3-2-4-11-18/h2-4,10-11,19-20H,5-9,12-17H2,1H3/q+1	C22H32NO2+	342.495	3	0	26.3	4	4	1	-3.7713	4.43699000000001	3.55	5.799	60.9411	102.5024	2.8407	348.091893823158
Cond-007748	NPD777	NPD777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.3670678073	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCC(=O)c3cc4ccccc4cc3)ccc12	InChI=1S/C29H22O5/c1-18-27(33-17-26(30)22-8-7-19-5-3-4-6-21(19)15-22)14-13-24-25(16-28(31)34-29(18)24)20-9-11-23(32-2)12-10-20/h3-16H,17H2,1-2H3	C29H22O5	450.482	5	0	61.83	5	6	1	0.0448999999999993	6.59629	4.1	8.163	39.6601	136.1325	3.34320000000001	411.798431038541
Cond-007749	NPD7770	NPD7770	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3460490463	CN(C)CCCCCCCN(C)Cc1cc2c(o1)cccc2	InChI=1S/C19H30N2O/c1-20(2)13-9-5-4-6-10-14-21(3)16-18-15-17-11-7-8-12-19(17)22-18/h7-8,11-12,15H,4-6,9-10,13-14,16H2,1-3H3	C19H30N2O	302.454	3	0	19.62	2	10	0	-1.226	3.96329000000001	3.22	4.427	53.1998	95.5940000000001	2.6548	310.905161504363
Cond-007750	NPD7771	NPD7771	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9100817439	CC1(C)CC(CNCc2ccc(O)cc2)(CCO1)c1ccccc1	InChI=1S/C21H27NO2/c1-20(2)15-21(12-13-24-20,18-6-4-3-5-7-18)16-22-14-17-8-10-19(23)11-9-17/h3-11,22-23H,12-16H2,1-2H3	C21H27NO2	325.445	3	2	41.49	3	5	1	-0.198900000000002	4.03989000000001	3.44	5.863	47.2152	98.8617000000001	2.7009	325.661221146091
Cond-007751	NPD7772	NPD7772	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.7465940054	NC(=O)c1cc2c(oc1=N)c(Br)cc(Br)c2	InChI=1S/C10H6Br2N2O2/c11-5-1-4-2-6(9(13)15)10(14)16-8(4)7(12)3-5/h1-3,14H,(H2,13,15)	C10H6Br2N2O2	345.975	4	3	76.17	2	1	0	1.4821	2.50115	1.9	2.574	41.287	69.5491	1.7094	208.225847125656
Cond-007752	NPD7773	NPD7773	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.5258855586	CCC(=O)NCCc1c[nH]c2c1cc(OC)cc2	InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)	C14H18N2O2	246.305	4	2	54.12	2	6	0	-0.753699999999999	2.40238	2.56	1.595	37.6692	76.5717	1.966	230.579006374789
Cond-007753	NPD7774	NPD7774	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.038147139	COCCOC(=O)C1=C(N)OC2=C(C1c1cccnc1)C(=O)CC(C)(C)C2	InChI=1S/C20H24N2O5/c1-20(2)9-13(23)16-14(10-20)27-18(21)17(19(24)26-8-7-25-3)15(16)12-5-4-6-22-11-12/h4-6,11,15H,7-10,21H2,1-3H3	C20H24N2O5	372.415	7	2	100.74	3	6	0	0.155599999999999	2.28477	2.89	1.989	76.3606	99.8624	2.7929	353.996218129274
Cond-007754	NPD7776	NPD7776	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.6757493188	COc1ccc(NC(=S)N2CCc3c(C2)c2ccccc2[nH]3)cc1	InChI=1S/C19H19N3OS/c1-23-14-8-6-13(7-9-14)20-19(24)22-11-10-18-16(12-22)15-4-2-3-5-17(15)21-18/h2-9,21H,10-12H2,1H3,(H,20,24)	C19H19N3OS	337.439	4	2	72.38	4	4	0	-0.4656	4.01618	3	4.847	40.8853	104.4057	2.5289	294.252193565329
Cond-007755	NPD7777	NPD7777	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8801089918	COC(=O)C1Cc2c(CN1)[nH]c1c2cccc1	InChI=1S/C13H14N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-5,11,14-15H,6-7H2,1H3	C13H14N2O2	230.262	4	2	54.12	3	2	0	-0.9127	1.17288	2.45	1.781	31.4888	68.6067	1.7165	200.926563048123
Cond-007756	NPD7778	NPD7778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0762942779	Clc1cccc(c1)N1C(=O)NC(Cc2c[nH]c3c2cccc3)C1=O	InChI=1S/C18H14ClN3O2/c19-12-4-3-5-13(9-12)22-17(23)16(21-18(22)24)8-11-10-20-15-7-2-1-6-14(11)15/h1-7,9-10,16,20H,8H2,(H,21,24)	C18H14ClN3O2	339.776	5	2	65.2	4	3	0	-0.522	3.53717	2.78	4.071	31.9879	98.0117	2.3626	279.812020652057
Cond-007757	NPD7779	NPD7779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.1771117166	Clc1ccc(cc1)N1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O	InChI=1S/C18H14ClN3O2/c19-12-5-7-13(8-6-12)22-17(23)16(21-18(22)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,21,24)	C18H14ClN3O2	339.776	5	2	65.2	4	3	0	-0.522	3.53717	2.78	4.071	31.9879	98.0117	2.3626	279.812020652057
Cond-007758	NPD778	NPD778	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6807009727	Cc1c2oc(=O)c(Cc3ccccc3)c(C)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C26H19ClO3/c1-15-20-13-22-23(18-8-10-19(27)11-9-18)14-29-24(22)16(2)25(20)30-26(28)21(15)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3	C26H19ClO3	414.88	3	0	39.44	5	3	1	2.3159	7.31679	3.88	7.92	37.01	123.801	3.0115	362.814008931852
Cond-007759	NPD7780	NPD7780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7329700272	O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1c1ccccc1	InChI=1S/C18H15N3O2/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)	C18H15N3O2	305.331	5	2	65.2	4	3	0	-1.2663	2.88377	2.89	4.186	26.3723	93.0017	2.2402	264.600952881623
Cond-007760	NPD7781	NPD7781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.2643051771	OC12CCCCC1C(NCC2)c1c(Cl)cccc1Cl	InChI=1S/C15H19Cl2NO/c16-11-5-3-6-12(17)13(11)14-10-4-1-2-7-15(10,19)8-9-18-14/h3,5-6,10,14,18-19H,1-2,4,7-9H2	C15H19Cl2NO	300.223	2	2	32.26	3	1	0	-0.374700000000001	3.608	2.67	3.463	47.9501	77.9525	2.1706	262.326598333595
Cond-007761	NPD7782	NPD7782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.5749318801	O=C1N2C(NC(=O)c3c2cccc3)c2c1cccc2	InChI=1S/C15H10N2O2/c18-14-11-7-3-4-8-12(11)17-13(16-14)9-5-1-2-6-10(9)15(17)19/h1-8,13H,(H,16,18)	C15H10N2O2	250.252	4	1	49.41	4	0	0	-1.1374	2.24338	2.67	3.4	18.0605	72.5682	1.7607	215.252697496656
Cond-007762	NPD7783	NPD7783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8964577657	Fc1c(cccc1)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C17H15FN2/c18-14-7-3-1-6-13(14)16-17-12(9-10-19-16)11-5-2-4-8-15(11)20-17/h1-8,16,19-20H,9-10H2	C17H15FN2	266.313	2	2	27.82	4	1	0	-0.1443	2.82339	3	4.457	20.0344	80.4177	1.9858	230.068230898374
Cond-007763	NPD7784	NPD7784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.719346049	COc1cccc(C2NCCc3c2[nH]c2c3cccc2)c1OC	InChI=1S/C19H20N2O2/c1-22-16-9-5-7-14(19(16)23-2)17-18-13(10-11-20-17)12-6-3-4-8-15(12)21-18/h3-9,17,20-21H,10-11H2,1-2H3	C19H20N2O2	308.374	4	2	46.28	4	3	0	-0.7276	3.54119	3.11	3.399	33.7935	93.4897	2.3673	276.173094700924
Cond-007764	NPD7785	NPD7785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7602179837	OC1(C(=O)Nc2c1cccc2)c1c[nH]c2c1cccc2	InChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-14(11)18-15)12-9-17-13-7-3-1-5-10(12)13/h1-9,17,20H,(H,18,19)	C16H12N2O2	264.279	4	3	65.12	4	1	0	-1.8004	2.64879	2.78	3.272	15.6091	80.1495	1.9016	221.648682122523
Cond-007765	NPD7786	NPD7786	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0217983651	CN1CCc2c(C1)c1c(cccc1)n2CCc1ccc(C)nc1	InChI=1S/C20H23N3/c1-15-7-8-16(13-21-15)9-12-23-19-6-4-3-5-17(19)18-14-22(2)11-10-20(18)23/h3-8,13H,9-12,14H2,1-2H3	C20H23N3	305.417	3	0	21.06	4	3	0	0.5706	3.87522	3.33	4.187	38.7252	95.4150000000001	2.4906	286.885386133835
Cond-007766	NPD7788	NPD7788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9346049046	O=N(=O)c1cc2c([nH]c3c2CCNC3=O)cc1	InChI=1S/C11H9N3O3/c15-11-10-7(3-4-12-11)8-5-6(14(16)17)1-2-9(8)13-10/h1-2,5,13H,3-4H2,(H,12,15)	C11H9N3O3	231.207	6	2	88.03	3	1	0	-0.1279	0.70749	2.01	1.807	23.7955	66.3177	1.5502	183.485122004317
Cond-007767	NPD7789	NPD7789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9155313351	CCCc1cc(C(=O)Cc2ncccc2)c(O)cc1O	InChI=1S/C16H17NO3/c1-2-5-11-8-13(16(20)10-14(11)18)15(19)9-12-6-3-4-7-17-12/h3-4,6-8,10,18,20H,2,5,9H2,1H3	C16H17NO3	271.311	4	2	70.42	2	5	0	-1.3239	3.20968	2.78	3.145	28.7001	81.4788	2.1207	257.691524717317
Cond-007768	NPD779	NPD779	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	60.4480370653	COc1c(Nc2nc(cs2)C2(C)CC(CC(C)C)C(=O)O2)cccc1	InChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-25-18(21-16)20-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)	C19H24N2O3S	360.47	5	1	88.69	3	6	0	0.734899999999999	5.67248000000001	2.89	4.947	60.3567	103.4117	2.7411	329.365262860685
Cond-007769	NPD7790	NPD7790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.5122615804	CC1=CC(=O)N(CCc2c[nH]c3c2cc(OCc2ccccc2)cc3)C1=O	InChI=1S/C22H20N2O3/c1-15-11-21(25)24(22(15)26)10-9-17-13-23-20-8-7-18(12-19(17)20)27-14-16-5-3-2-4-6-16/h2-8,11-13,23H,9-10,14H2,1H3	C22H20N2O3	360.406	5	1	62.4	4	6	0	-0.2465	3.34837	3.33	4.187	45.7038	106.944	2.7197	328.941899176685
Cond-007770	NPD7791	NPD7791	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8092643052	N=C1N=C2N(Cc3c2cccc3)Cc2c1cccc2	InChI=1S/C16H13N3/c17-15-13-7-3-1-5-11(13)9-19-10-12-6-2-4-8-14(12)16(19)18-15/h1-8,17H,9-10H2	C16H13N3	247.295	3	1	39.45	4	0	1	-1.0649	2.1135	2.89	5.054	24.1216	76.8177	1.884	225.964988929567
Cond-007771	NPD7792	NPD7792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8910081744	OCCCc1cc(=O)oc2c1cc1CCCN3CCCc2c13	InChI=1S/C18H21NO3/c20-9-3-5-12-11-16(21)22-18-14-6-2-8-19-7-1-4-13(17(14)19)10-15(12)18/h10-11,20H,1-9H2	C18H21NO3	299.364	4	1	49.77	4	3	0	-1.0147	3.53936	3	1.814	58.2453	89.8948	2.2713	283.743493969051
Cond-007772	NPD7793	NPD7793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1089918256	NC(Cc1c[nH]c2c1cccc2)C(=O)NCc1ccco1	InChI=1S/C16H17N3O2/c17-14(16(20)19-10-12-4-3-7-21-12)8-11-9-18-15-6-2-1-5-13(11)15/h1-7,9,14,18H,8,10,17H2,(H,19,20)	C16H17N3O2	283.325	5	4	84.05	3	6	0	-2.0423	1.74558	2.67	1.878	29.4831	86.9221	2.153	247.63835973229
Cond-007773	NPD7794	NPD7794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7792915531	NC(Cc1c[nH]c2c1cccc2)C(=O)NCc1ccccc1	InChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)	C18H19N3O	293.363	4	4	70.91	3	6	0	-1.8882	2.17178	3	3.904	27.864	92.2271	2.3331	270.803643582662
Cond-007774	NPD7795	NPD7795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7247956403	[C@@H]12CCC3C4CCC(OC(=O)c5ccccc5)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C28H38O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-8,20-25H,9-17H2,1-3H3/t20-,21?,22?,23?,24?,25?,27-,28-/m0/s1	C28H38O4	438.599	4	0	52.6	5	5	1	0.4173	6.15479000000001	4.1	9.133	91.6132	125.948	3.5306	442.140348019314
Cond-007775	NPD7796	NPD7796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.1416893733	C[C@]12CCC3C(CCc4c3ccc(OC(=O)c3ccccc3)c4)C1CCC2O	InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20?,21?,22?,23?,25-/m0/s1	C25H28O3	376.488	3	1	46.53	5	3	1	-0.100699999999998	5.59198000000001	3.88	8.132	56.3232	113.5488	2.9632	365.289250039552
Cond-007776	NPD7797	NPD7797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6975476839	CCOC1=C(Nc2ccc(cc2)C(=O)O)C(=O)C1=O	InChI=1S/C13H11NO5/c1-2-19-12-9(10(15)11(12)16)14-8-5-3-7(4-6-8)13(17)18/h3-6,14H,2H2,1H3,(H,17,18)	C13H11NO5	261.23	6	2	92.7	2	5	0	-1.415	1.09118	2.23	2.132	41.7949	68.4415	1.8154	234.284024240839
Cond-007777	NPD7798	NPD7798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9645776567	Cc1cc2c(c(C)c1)C(=O)OC(=O)C(C)(C)C2	InChI=1S/C14H16O3/c1-8-5-9(2)11-10(6-8)7-14(3,4)13(16)17-12(11)15/h5-6H,7H2,1-4H3	C14H16O3	232.275	3	0	43.37	2	0	0	2.4398	2.03144	2.67	3.664	40.4631	64.917	1.8251	228.275712659017
Cond-007778	NPD780	NPD780	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1759362392	CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O	InChI=1S/C25H27FO4/c1-4-5-6-7-8-21-16(2)20-13-14-23(17(3)24(20)30-25(21)28)29-15-22(27)18-9-11-19(26)12-10-18/h9-14H,4-8,15H2,1-3H3	C25H27FO4	410.478	4	0	52.6	3	9	1	0.0911999999999998	6.88579000000001	3.66	6.865	59.9844	119.8645	3.1708	399.58703559042
Cond-007779	NPD7800	NPD7800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.7602179837	OC(=O)CCC(=O)c1cc2c(OCCCO2)cc1	InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16)	C13H14O5	250.247	5	1	72.83	2	4	0	-1.007	2.63008	2.34	0.928	37.2379	68.5533	1.8016	228.560181434272
Cond-007780	NPD7801	NPD7801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4114441417	OC(=O)C1=CC(=C(c2cc(C(=O)O)c(O)cc2)c2cc(C(=O)O)c(O)cc2)C=CC1=O	InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)	C22H14O9	422.341	9	5	169.43	3	5	0	-1.1939	3.09074	2.89	3.747	59.3535	112.4994	2.8519	375.036821562118
Cond-007781	NPD7802	NPD7802	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3569482289	COc1cc2c(cc1OC)c(O)nc(O)n2	InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)	C10H10N2O4	222.197	6	2	84.7	2	2	0	-1.0242	1.83398	1.9	0.0670000000000001	19.7608	59.4318	1.5198	178.975521272445
Cond-007782	NPD7803	NPD7803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5013623978	CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O	InChI=1S/C12H14O7/c1-4-18-12(15)19-10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3,(H,13,14)	C12H14O7	270.235	7	1	91.29	1	7	0	0.469	2.03608	2.01	1.516	39.4844	69.0703	1.8867	241.201108910328
Cond-007783	NPD7804	NPD7804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.7765667575	COc1c(O)c(C(=O)C)c(OC)c2c1occ2	InChI=1S/C12H12O5/c1-6(13)8-9(14)12(16-3)11-7(4-5-17-11)10(8)15-2/h4-5,14H,1-3H3	C12H12O5	236.221	5	1	68.9	2	3	0	-0.971900000000001	2.32659	2.23	0.515	29.5857	64.0088	1.6607	200.364196808406
Cond-007784	NPD7805	NPD7805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.801089918	Cc1c2cc(O)c(=O)cc2oc2c1cc(O)c(O)c2	InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3	C14H10O5	258.226	5	3	86.99	3	0	0	-0.8009	2.57655	2.45	1.706	46.9701	70.4974000000001	1.7479	228.226789957739
Cond-007785	NPD7806	NPD7806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5040871935	O.Oc1cc(cc(O)c1)c1c(O)cc(O)cc1O	InChI=1S/C12H10O5.H2O/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17;/h1-5,13-17H;1H2	C12H12O6	252.22	5	5	101.15	2	1	0	-2.3015	2.67118	2.23	-0.0550000000000001	12.823	65.9244	1.6177	197.727738107606
Cond-007786	NPD7807	NPD7807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.757493188	Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1	InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H	C13H10O5	246.215	5	4	97.99	2	2	0	-2.105	1.70839	2.34	1.417	15.6044	65.9972	1.7156	212.387264032673
Cond-007787	NPD7808	NPD7808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3051771117	Cc1cc(=O)oc2c1ccc(OP(=O)([O-])[O-])c2	InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)/p-2	C10H7O6P--	254.133	6	0	108.53	2	2	0	-1.0353	-0.211629999999999	1.79	0.365	29.1255	51.971	1.5992	202.653248964434
Cond-007788	NPD7809	NPD7809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8528610354	[C@H](N)(CSCCc1ccncc1)C(=O)O	InChI=1S/C10H14N2O2S/c11-9(10(13)14)7-15-6-3-8-1-4-12-5-2-8/h1-2,4-5,9H,3,6-7,11H2,(H,13,14)/t9-/m0/s1	C10H14N2O2S	226.295	4	3	101.51	1	6	0	-0.2774	1.00309	2.01	-1.039	36.4339	64.1202	1.7175	205.797009330522
Cond-007789	NPD781	NPD781	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.074264869	CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(OC(=O)C(F)(F)F)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3	InChI=1S/C32H49F3O3/c1-26(2)14-16-31-17-15-29(6)19(23(31)24(26)37-18-31)8-9-21-28(5)12-11-22(38-25(36)32(33,34)35)27(3,4)20(28)10-13-30(21,29)7/h19-24H,8-18H2,1-7H3/t19?,20?,21?,22?,23?,24?,28-,29+,30+,31?/m0/s1	C32H49F3O3	538.725	3	0	35.53	6	3	1	3.5617	8.58469000000001	4.32	10.789	140.2557	143.364	4.152	529.826112475538
Cond-007790	NPD7810	NPD7810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0844686649	Oc1cc2c(cc1)C(=O)c1c(ccc(O)c1)C2=O	InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H	C14H8O4	240.211	4	2	74.6	3	0	0	-1.4482	1.84159	2.56	1.304	15.8212	66.1001	1.6462	205.900104556378
Cond-007791	NPD7812	NPD7812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.621253406	Cc1cc(=O)oc2c1ccc(O)c2CN(CC(=O)O)CC(=O)O	InChI=1S/C15H15NO7/c1-8-4-14(22)23-15-9(8)2-3-11(17)10(15)5-16(6-12(18)19)7-13(20)21/h2-4,17H,5-7H2,1H3,(H,18,19)(H,20,21)	C15H15NO7	321.282	8	3	124.37	2	6	0	-0.6023	1.32347	2.23	-0.1	54.5546	84.1126000000001	2.2146	286.456446893695
Cond-007792	NPD7813	NPD7813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	58.9645776567	CNc1ccc(Cl)cc1C1NCCc2c1cccc2	InChI=1S/C16H17ClN2/c1-18-15-7-6-12(17)10-14(15)16-13-5-3-2-4-11(13)8-9-19-16/h2-7,10,16,18-19H,8-9H2,1H3	C16H17ClN2	272.773	2	2	24.06	3	2	0	0.2226	3.9138	2.89	4.337	30.4742	79.7944	2.1012	247.808672594234
Cond-007793	NPD7814	NPD7814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	23.9782016349	Oc1c2C(=O)CCC(=O)c2c(O)c2c1cccc2	InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2	C14H10O4	242.227	4	2	74.6	3	0	0	-1.3786	2.74918	2.56	0.778	24.9196	70.6133	1.6892	208.536563257178
Cond-007794	NPD7815	NPD7815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0926430518	Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1	InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)	C12H11N7	253.263	7	6	129.62	3	1	0	-2.2497	2.09737	2.01	1.366	12.6663	77.8082	1.8282	202.224549959567
Cond-007795	NPD7816	NPD7816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7384196185	Cc1c(C)c2c(CC[C@](C)(O2)C(=O)O)c(C)c1O	InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1	C14H18O4	250.29	4	2	66.76	2	1	0	1.5444	2.85925	2.56	1.515	45.262	72.2718	1.9268	239.702398060378
Cond-007796	NPD7817	NPD7817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.727520436	O=c1[nH]c(=O)c2nc3c([nH]c2n1)cccc3	InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)	C10H6N4O2	214.18	6	2	82.92	3	0	0	-1.4683	0.82636	1.9	0.808	27.4858	62.8604	1.4074	176.659212185256
Cond-007797	NPD7818	NPD7818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.822888283	C[C@]1(C[C@@](C)(C[C@@](C)(C1)C(=O)O)C(=O)O)C(=O)O	InChI=1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11+,12-	C12H18O6	258.268	6	3	111.9	1	3	0	1.4658	1.67689	2.12	-0.093	59.8287	64.3224	1.914	248.583799611367
Cond-007798	NPD7819	NPD7819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9836512262	[C@H]1(CNC(=O)OCc2ccccc2)CN(C)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H]2C1	InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1	C25H29N3O2	403.517	5	1	46.5	5	6	1	-0.355999999999998	3.72838	3.66	5.296	58.8531	121.6577	3.1609	375.952845262691
Cond-007799	NPD782	NPD782	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.235117943	Cc1c2oc(=O)cc(c3ccccc3)c2cc2c1occ2c1ccc(Cl)cc1	InChI=1S/C24H15ClO3/c1-14-23-20(21(13-27-23)16-7-9-17(25)10-8-16)11-19-18(12-22(26)28-24(14)19)15-5-3-2-4-6-15/h2-13H,1H3	C24H15ClO3	386.827	3	0	39.44	5	2	1	1.3066	6.73229	3.66	7.536	28.0519	114.582	2.7297	328.222039680118
Cond-007800	NPD7820	NPD7820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.386920981	COc1cc2c(cc1)c(CC(=O)O)cc(=O)o2	InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)	C12H10O5	234.205	5	1	72.83	2	3	0	-0.1824	2.02427	2.23	1.103	34.3994	63.1008	1.6177	208.627738107606
Cond-007801	NPD7821	NPD7821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.455040872	COc1cc2c(cc1)C(=O)CC2CC(=O)O	InChI=1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)	C12H12O4	220.221	4	1	63.6	2	3	0	-0.791900000000001	2.07379	2.34	0.935	31.7823	60.1783	1.602	202.473970107845
Cond-007802	NPD7822	NPD7822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.081743869	COc1cc2c([nH]c3c2CCNC3C(=O)O)cc1	InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)	C13H14N2O3	246.262	5	3	74.35	3	2	0	-1.0223	1.26398	2.34	1.234	33.6219	70.8725000000001	1.7752	209.716789748684
Cond-007803	NPD7824	NPD7824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8798679868	C[C@@]12CCCC(=O)N1C(CO)C(O2)c1ccccc1	InChI=1S/C15H19NO3/c1-15-9-5-8-13(18)16(15)12(10-17)14(19-15)11-6-3-2-4-7-11/h2-4,6-7,12,14,17H,5,8-10H2,1H3/t12?,14?,15-/m1/s1	C15H19NO3	261.316	4	1	49.77	3	2	0	-1.8083	1.74029	2.67	2.652	41.7049	72.7088	2.0002	246.84845749305
Cond-007804	NPD7825	NPD7825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7669966997	OC(=O)Cc1cc(=O)oc2c1ccc(O)c2	InChI=1S/C11H8O5/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5,12H,3H2,(H,13,14)	C11H8O5	220.178	5	2	83.83	2	2	0	-0.5909	1.72127	2.12	0.584	29.6482	58.2136	1.4768	191.331753481739
Cond-007805	NPD7826	NPD7826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9544554455	CC1(C)O[C@H]2O[C@H](C(O)CO)[C@H](O)[C@H]2O1	InChI=1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4?,5-,6+,7+,8+/m0/s1	C9H16O6	220.22	6	3	88.38	2	2	0	-1.7784	-1.4231	1.79	-1.142	48.1304	47.7974	1.5117	192.248763135367
Cond-007806	NPD7827	NPD7827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7927392739	CC1(C)OCC(O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OS(=O)(=O)C	InChI=1S/C13H22O8S/c1-12(2)16-6-7(18-12)8-9(21-22(5,14)15)10-11(17-8)20-13(3,4)19-10/h7-11H,6H2,1-5H3/t7?,8-,9+,10-,11-/m1/s1	C13H22O8S	338.374	8	0	97.9	3	3	0	-0.873599999999999	0.6729	1.9	-0.099	73.4613	66.4585	2.2476	285.165720396756
Cond-007807	NPD7828	NPD7828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3729372937	COc1c(OC)cc2C(CC(=O)O)NCCc2c1	InChI=1S/C13H17NO4/c1-17-11-5-8-3-4-14-10(7-13(15)16)9(8)6-12(11)18-2/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,16)	C13H17NO4	251.278	5	2	67.79	2	4	0	-0.5122	1.25809	2.34	1.054	42.262	68.7115	1.8857	233.403173642678
Cond-007808	NPD7829	NPD7829	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3742574257	O=C1CC(Oc2c1cccc2)c1ccccc1	InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2	C15H12O2	224.255	2	0	26.3	3	1	0	-0.4335	3.02039	2.89	4.63	14.9122	67.444	1.7127	208.252094481923
Cond-007809	NPD783	NPD783	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5013290803	O=c1oc2cc3c(cc2c2c1CCC2)c(co3)c1ccc(cc1)c1ccccc1	InChI=1S/C26H18O3/c27-26-20-8-4-7-19(20)21-13-22-23(15-28-24(22)14-25(21)29-26)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2	C26H18O3	378.419	3	0	39.44	6	2	1	-0.3318	7.27207	3.99	8.645	28.4316	119.502	2.7805	335.246482460618
Cond-007810	NPD7830	NPD7830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6851485149	COc1cc(CC=C)ccc1OC(=O)c1ccccc1	InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3	C17H16O3	268.307	3	0	35.53	2	6	1	0.8858	4.03827	3	5.97	28.5093	83.108	2.1188	261.354290434217
Cond-007811	NPD7831	NPD7831	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7386138614	CC1=NN(C(=O)N)C2(O)CC3C(C12)C3(C)C	InChI=1S/C11H17N3O2/c1-5-7-8-6(10(8,2)3)4-11(7,16)14(13-5)9(12)15/h6-8,16H,4H2,1-3H3,(H2,12,15)	C11H17N3O2	223.272	5	3	78.92	3	1	0	-0.303800000000001	0.73528	2.12	1.652	55.886	62.6072	1.6635	207.040730106956
Cond-007812	NPD7832	NPD7832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7069306931	CCOC(=O)Cn1nc(C)c2c1CC1C2C1(C)C	InChI=1S/C14H20N2O2/c1-5-18-11(17)7-16-10-6-9-13(14(9,3)4)12(10)8(2)15-16/h9,13H,5-7H2,1-4H3	C14H20N2O2	248.321	4	0	44.12	3	4	0	1.4533	2.8689	2.56	2.668	55.262	71.807	1.9434	234.395465075589
Cond-007813	NPD7833	NPD7833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.7742574257	Cc1nn(CC(=O)O)c2c1C1C(C2)C1(C)C	InChI=1S/C12H16N2O2/c1-6-10-8(14(13-6)5-9(15)16)4-7-11(10)12(7,2)3/h7,11H,4-5H2,1-3H3,(H,15,16)	C12H16N2O2	220.268	4	1	55.12	3	2	0	0.951900000000002	2.3904	2.34	1.924	46.1991	62.8098	1.6616	199.803495823856
Cond-007814	NPD7834	NPD7834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.6693069307	CC1C(C)(C)c2c(cc(C(=O)C)c(C)c2)C1(C)C	InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3	C17H24O	244.372	1	0	17.07	2	1	1	2.6217	4.14522	3.22	6.865	52.8273	78.59	2.1734	265.219671836295
Cond-007815	NPD7836	NPD7836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3894389439	CC(=C)C1CCC(C)(OC1c1ccccc1)C#C	InChI=1S/C17H20O/c1-5-17(4)12-11-15(13(2)3)16(18-17)14-9-7-6-8-10-14/h1,6-10,15-16H,2,11-12H2,3-4H3	C17H20O	240.34	1	0	9.23	2	2	0	2.074	3.78698	3.22	4.868	46.9523	73.351	2.0874	259.946754434695
Cond-007816	NPD7837	NPD7837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1240924092	COc1ccc2C(CN)OC(=O)c2c1OC	InChI=1S/C11H13NO4/c1-14-7-4-3-6-8(5-12)16-11(13)9(6)10(7)15-2/h3-4,8H,5,12H2,1-2H3	C11H13NO4	223.225	5	2	70.78	2	3	0	-0.983400000000001	0.556	2.12	0.76	33.2555	59.2664	1.6039	198.811204390945
Cond-007817	NPD7838	NPD7838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1643564356	CC(=O)OCC1OC(OC(=O)C)C(OC(=O)C)C1OC(=O)C	InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3	C13H18O9	318.277	9	0	114.43	1	9	0	-0.486300000000001	-0.06521	1.9	0.219	66.5669	71.411	2.188	289.614005638117
Cond-007818	NPD7839	NPD7839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4679867987	CN1CCc2c(C1)c1c(cccc1)n2Cc1ccccc1	InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3	C19H20N2	276.376	2	0	8.17	4	2	1	-0.1245	3.6103	3.33	5.361	28.5409	87.0500000000001	2.2499	258.592641299801
Cond-007819	NPD784	NPD784	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.809490718	CCc1cc(=O)oc2cc(OC(C)C(=O)NCC(=O)NCC(=O)O)ccc12	InChI=1S/C18H20N2O7/c1-3-11-6-17(24)27-14-7-12(4-5-13(11)14)26-10(2)18(25)20-8-15(21)19-9-16(22)23/h4-7,10H,3,8-9H2,1-2H3,(H,19,21)(H,20,25)(H,22,23)	C18H20N2O7	376.361	9	3	131.03	2	10	0	-1.7916	1.03527	2.45	0.829	67.7325	98.3322	2.6941	346.704702278663
Cond-007820	NPD7840	NPD7840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4356435644	CC1(C)CC(CC(=O)O)(CCO1)c1ccccc1	InChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)	C15H20O3	248.318	3	1	46.53	2	3	0	0.453600000000002	3.22199	2.78	4.688	43.6947	72.8808000000001	2.009	248.208155985684
Cond-007821	NPD7841	NPD7841	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	79.6303630363	NC(=O)c1nn(cn1)C1OC(CO)C(O)C1O	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)	C8H12N4O5	244.205	9	5	143.72	2	3	0	-2.164	-2.92431	1.35	-3.044	37.7358	55.0998	1.5823	191.340216539206
Cond-007822	NPD7842	NPD7842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.5234323432	NC(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O	InChI=1S/C17H12N2O4/c18-15(20)11-6-2-3-7-13(11)19-16(21)12-9-10-5-1-4-8-14(10)23-17(12)22/h1-9H,(H2,18,20)(H,19,21)	C17H12N2O4	308.288	6	3	98.49	3	4	0	-1.0885	2.87866	2.67	3.51	30.2732	88.1286	2.1825	274.508661448712
Cond-007823	NPD7843	NPD7843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.697029703	CC(C)c1ccc(C)cc1OCC(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C24H24O5/c1-14(2)17-9-7-15(3)11-21(17)27-13-23(25)28-16-8-10-19-18-5-4-6-20(18)24(26)29-22(19)12-16/h7-12,14H,4-6,13H2,1-3H3	C24H24O5	392.444	5	0	61.83	4	6	1	0.590199999999998	5.73168000000001	3.55	6.071	59.0552	114.452	2.9623	372.657260114008
Cond-007824	NPD7844	NPD7844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.7709570957	OC(=O)CCCCCNc1ncnc2ccccc12	InChI=1S/C14H17N3O2/c18-13(19)8-2-1-5-9-15-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10H,1-2,5,8-9H2,(H,18,19)(H,15,16,17)	C14H17N3O2	259.304	5	2	75.11	2	7	0	-1.4778	3.92587	2.45	2.571	28.5155	78.6585000000001	2.0228	238.939307882156
Cond-007825	NPD7845	NPD7845	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3379537954	CSCCC(Nc1ncnc2ccccc12)C(=O)O	InChI=1S/C13H15N3O2S/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16)	C13H15N3O2S	277.342	5	2	100.41	2	6	0	-0.4008	3.48717	2.23	2.836	34.9561	82.1105	2.0454	240.152347313889
Cond-007826	NPD7846	NPD7846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4389438944	OCC(Nc1ncnc2ccccc12)C(=O)O	InChI=1S/C11H11N3O3/c15-5-9(11(16)17)14-10-7-3-1-2-4-8(7)12-6-13-10/h1-4,6,9,15H,5H2,(H,16,17)(H,12,13,14)	C11H11N3O3	233.223	6	3	95.34	2	4	0	-1.266	1.72637	2.01	0.733	21.1189	66.1973	1.6588	195.841580705117
Cond-007827	NPD7848	NPD7848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1161716172	OCC(Nc1nc(nc2ccccc12)c1ccccc1)C(=O)O	InChI=1S/C17H15N3O3/c21-10-14(17(22)23)19-16-12-8-4-5-9-13(12)18-15(20-16)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,22,23)(H,18,19,20)	C17H15N3O3	309.319	6	3	95.34	3	5	0	-1.266	3.84696	2.67	3.75	21.1189	93.5583	2.2666	268.451653657118
Cond-007828	NPD7849	NPD7849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.4501650165	COc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(=O)C)cc1	InChI=1S/C22H18O6/c1-13-12-20(25)28-22-17(13)9-10-18(21(22)14(2)23)27-19(24)11-6-15-4-7-16(26-3)8-5-15/h4-12H,1-3H3/b11-6+	C22H18O6	378.375	6	0	78.9	3	6	0	0.680700000000001	4.39087	3.22	4.321	55.4386	107.6375	2.7618	353.939058862035
Cond-007829	NPD785	NPD785	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.451210671	COc1ccc(cc1)C(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1	InChI=1S/C26H22O6/c1-16-24(31-15-23(27)18-6-10-20(30-3)11-7-18)13-12-21-22(14-25(28)32-26(16)21)17-4-8-19(29-2)9-5-17/h4-14H,15H2,1-3H3	C26H22O6	430.449	6	0	71.06	4	7	1	-0.006900000000001	5.45169	3.66	5.21	46.9759	125.1785	3.1738	397.230079963902
Cond-007830	NPD7850	NPD7850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3234323432	Cc1cc(Cl)ccc1OC(=O)c1cc2ccccc2oc1=O	InChI=1S/C17H11ClO4/c1-10-8-12(18)6-7-14(10)21-16(19)13-9-11-4-2-3-5-15(11)22-17(13)20/h2-9H,1H3	C17H11ClO4	314.72	4	0	52.6	3	3	1	1.4763	4.38349	2.78	5.1	32.7996	87.35	2.1483	270.362667503612
Cond-007831	NPD7851	NPD7851	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2052805281	Clc1c(cccc1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C22H13ClO4/c23-19-9-5-4-8-17(19)22(25)26-15-10-11-16-18(14-6-2-1-3-7-14)13-21(24)27-20(16)12-15/h1-13H	C22H13ClO4	376.789	4	0	52.6	4	4	1	0.7276	5.46187	3.33	7.922	27.2224	106.2505	2.6152	325.676755829746
Cond-007832	NPD7852	NPD7852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.1841584158	Clc1ccc(cc1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C22H13ClO4/c23-16-8-6-15(7-9-16)22(25)26-17-10-11-18-19(14-4-2-1-3-5-14)13-21(24)27-20(18)12-17/h1-13H	C22H13ClO4	376.789	4	0	52.6	4	4	1	0.7276	5.46187	3.33	7.711	27.2224	106.2505	2.6152	325.676755829746
Cond-007833	NPD7853	NPD7853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8	COc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1OC	InChI=1S/C21H18O6/c1-13-10-21(23)27-18-12-15(6-7-16(13)18)26-20(22)9-5-14-4-8-17(24-2)19(11-14)25-3/h4-12H,1-3H3/b9-5+	C21H18O6	366.364	6	0	71.06	3	6	0	0.8828	4.19687	3.11	4.164	51.984	104.185	2.6639	339.279532936968
Cond-007834	NPD7854	NPD7854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.000660066	Cc1cc(=O)oc2c1ccc(OC(=O)c1cc3ccccc3o1)c2	InChI=1S/C19H12O5/c1-11-8-18(20)24-16-10-13(6-7-14(11)16)22-19(21)17-9-12-4-2-3-5-15(12)23-17/h2-10H,1H3	C19H12O5	320.296	5	0	65.74	4	3	0	0.4712	4.45236	3	4.685	28.728	93.3055	2.2148	272.640878283873
Cond-007835	NPD7855	NPD7855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9834983498	CCCCOC(=O)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1	InChI=1S/C21H18O6/c1-2-3-12-25-19(22)14-8-10-16(11-9-14)26-20(23)17-13-15-6-4-5-7-18(15)27-21(17)24/h4-11,13H,2-3,12H2,1H3	C21H18O6	366.364	6	0	78.9	3	8	1	-0.5142	4.10347	3.11	5.8	44.4077	101.5635	2.6639	339.279532936968
Cond-007836	NPD7856	NPD7856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1511551155	CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C13H13NO4/c1-3-17-13(16)14-9-4-5-10-8(2)6-12(15)18-11(10)7-9/h4-7H,3H2,1-2H3,(H,14,16)	C13H13NO4	247.247	5	1	64.63	2	4	0	0.9851	3.12927	2.34	2.397	39.6005	70.6147	1.7997	228.130256241078
Cond-007837	NPD7857	NPD7857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5722772277	O=C(Oc1ccc2c3c(CCC3)c(=O)oc2c1)c1cc2ccccc2o1	InChI=1S/C21H14O5/c22-20-16-6-3-5-14(16)15-9-8-13(11-18(15)26-20)24-21(23)19-10-12-4-1-2-7-17(12)25-19/h1-2,4,7-11H,3,5-6H2	C21H14O5	346.333	5	0	65.74	5	3	0	-0.4229	4.90377	3.22	4.885	34.7233	101.266	2.388	294.876388834807
Cond-007838	NPD7858	NPD7858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1709570957	CC(C)NC(=O)c1cc2ccccc2oc1=O	InChI=1S/C13H13NO3/c1-8(2)14-12(15)10-7-9-5-3-4-6-11(9)17-13(10)16/h3-8H,1-2H3,(H,14,15)	C13H13NO3	231.247	4	1	55.4	2	3	0	-0.4015	2.06557	2.45	3.341	38.027	67.5747	1.741	219.340029540517
Cond-007839	NPD7860	NPD7860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.1273927393	COc1ccc(/C=C/C(=O)Nc2ccc(cc2)C(=O)OCCC(C)C)cc1OC	InChI=1S/C23H27NO5/c1-16(2)13-14-29-23(26)18-7-9-19(10-8-18)24-22(25)12-6-17-5-11-20(27-3)21(15-17)28-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,25)/b12-6+	C23H27NO5	397.464	6	1	73.86	2	11	2	-0.171900000000001	4.34428000000001	3.33	5.288	60.4999	115.3487	3.1384	391.070953097908
Cond-007840	NPD7861	NPD7861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5273927393	COc1cc(/C=C/C(=O)Nc2ccc(cc2)C(=O)OCCC(C)C)c(OC)cc1	InChI=1S/C23H27NO5/c1-16(2)13-14-29-23(26)17-5-8-19(9-6-17)24-22(25)12-7-18-15-20(27-3)10-11-21(18)28-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,25)/b12-7+	C23H27NO5	397.464	6	1	73.86	2	11	2	-0.171900000000001	4.34428000000001	3.33	5.288	60.4999	115.3487	3.1384	391.070953097908
Cond-007841	NPD7862	NPD7862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3617161716	COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N)cc1OC	InChI=1S/C18H18N2O4/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(21)20-14-6-4-3-5-13(14)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-8+	C18H18N2O4	326.347	6	3	90.65	2	7	0	-1.0121	2.24028	2.78	3.021	39.7581	94.1291	2.475	306.797563476179
Cond-007842	NPD7863	NPD7863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.7293729373	COc1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1	InChI=1S/C17H14O5/c1-19-11-3-5-12(6-4-11)22-16-10-21-15-9-13(20-2)7-8-14(15)17(16)18/h3-10H,1-2H3	C17H14O5	298.29	5	0	53.99	3	4	0	-1.1756	4.09546	2.78	3.791	32.1038	86.531	2.1276	266.578285134539
Cond-007843	NPD7864	NPD7864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6567656766	Cn1cc(C(=O)O)c(=O)c2cc(C)cc(C)c12	InChI=1S/C13H13NO3/c1-7-4-8(2)11-9(5-7)12(15)10(13(16)17)6-14(11)3/h4-6H,1-3H3,(H,16,17)	C13H13NO3	231.247	4	1	57.61	2	1	0	0.647099999999999	2.03081	2.45	3.129	40.5044	65.5713000000001	1.741	219.340029540517
Cond-007844	NPD7865	NPD7865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3458745875	COc1cc(cc(OC)c1OC)C(=O)NC(Cc1ccccc1)C(=O)O	InChI=1S/C19H21NO6/c1-24-15-10-13(11-16(25-2)17(15)26-3)18(21)20-14(19(22)23)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,20,21)(H,22,23)	C19H21NO6	359.373	7	2	94.09	2	9	0	-1.1247	2.37199	2.78	3.664	44.7964	98.3770000000001	2.6765	333.313699995802
Cond-007845	NPD7866	NPD7866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.996039604	COc1ccc(/C=C/C(=O)Oc2ccc(cc2)C(C)C)cc1OC	InChI=1S/C20H22O4/c1-14(2)16-7-9-17(10-8-16)24-20(21)12-6-15-5-11-18(22-3)19(13-15)23-4/h5-14H,1-4H3/b12-6+	C20H22O4	326.386	4	0	44.76	2	7	1	0.739300000000001	4.99797	3.22	6.014	45.4346	98.9880000000001	2.6002	322.032471012379
Cond-007846	NPD7867	NPD7867	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7273927393	O=C1Cn2c(=C1c1nc3ccccc3c(=O)[nH]1)[nH]c(=O)c1ccccc21	InChI=1S/C19H12N4O3/c24-14-9-23-13-8-4-2-6-11(13)19(26)22-17(23)15(14)16-20-12-7-3-1-5-10(12)18(25)21-16/h1-8H,9H2,(H,22,26)(H,20,21,25)	C19H12N4O3	344.324	7	2	90.87	5	1	0	-1.4058	1.82366	2.78	3.37	41.0269	98.2809	2.345	294.954548313818
Cond-007847	NPD7868	NPD7868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5821782178	CC(C)COC(=O)COc1ccc2c(=O)c(Oc3c(Br)cccc3)coc2c1	InChI=1S/C21H19BrO6/c1-13(2)10-27-20(23)12-25-14-7-8-15-18(9-14)26-11-19(21(15)24)28-17-6-4-3-5-16(17)22/h3-9,11,13H,10,12H2,1-2H3	C21H19BrO6	447.276	6	0	71.06	3	8	1	-0.0457000000000002	6.18505	3	5.45	57.5241	114.7015	2.8819	361.199610615335
Cond-007848	NPD7869	NPD7869	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	51.2633663366	COc1ccccc1C(=O)Oc1ccc2c(=O)c(coc2c1)c1ccccc1Cl	InChI=1S/C23H15ClO5/c1-27-20-9-5-3-7-17(20)23(26)29-14-10-11-16-21(12-14)28-13-18(22(16)25)15-6-2-4-8-19(15)24/h2-13H,1H3	C23H15ClO5	406.815	5	0	61.83	4	5	1	-0.0653000000000004	5.97126	3.33	6.919	34.5284	114.8635	2.8148	351.762967156174
Cond-007849	NPD7870	NPD7870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1155115512	COc1ccc(cc1OC)C(=O)Oc1ccc2c(=O)c(coc2c1)c1ccccc1Cl	InChI=1S/C24H17ClO6/c1-28-20-10-7-14(11-22(20)29-2)24(27)31-15-8-9-17-21(12-15)30-13-18(23(17)26)16-5-3-4-6-19(16)25/h3-13H,1-2H3	C24H17ClO6	436.841	6	0	71.06	4	6	1	-0.117100000000001	5.97986	3.33	5.71	41.8442	121.4155	3.0144	377.849178482602
Cond-007850	NPD7872	NPD7872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.699009901	CCCCCCc1c(OC(=O)C(CC)CC)cc2occ(c(=O)c2c1)c1ccc(Cl)cc1	InChI=1S/C27H31ClO4/c1-4-7-8-9-10-20-15-22-25(16-24(20)32-27(30)18(5-2)6-3)31-17-23(26(22)29)19-11-13-21(28)14-12-19/h11-18H,4-10H2,1-3H3	C27H31ClO4	454.986	4	0	52.6	3	11	2	-1.6699	8.20786000000001	3.88	8.915	70.8653	134.464	3.5573	443.32251376228
Cond-007851	NPD7873	NPD7873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.000660066	CCOC(=O)c1c(NCC(C)O)c2cc(OC)ccc2nc1	InChI=1S/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)	C16H20N2O4	304.341	6	2	80.68	2	7	0	-0.658399999999998	2.58638	2.56	1.894	43.4714	88.4845000000001	2.3222	280.114970326845
Cond-007852	NPD7874	NPD7874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5148514851	CCOC(=O)c1c(NCCCO)c2cc(OC)ccc2nc1	InChI=1S/C16H20N2O4/c1-3-22-16(20)13-10-18-14-6-5-11(21-2)9-12(14)15(13)17-7-4-8-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,18)	C16H20N2O4	304.341	6	2	80.68	2	8	0	-0.935700000000001	2.58798	2.56	2.221	41.7986	88.5065	2.3222	280.114970326845
Cond-007853	NPD7875	NPD7875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3168316832	COc1ccc(Oc2coc3cc(OC(=O)c4c(CCc5ccccc5)cccc4)ccc3c2=O)cc1	InChI=1S/C31H24O6/c1-34-23-13-15-24(16-14-23)36-29-20-35-28-19-25(17-18-27(28)30(29)32)37-31(33)26-10-6-5-9-22(26)12-11-21-7-3-2-4-8-21/h2-10,13-20H,11-12H2,1H3	C31H24O6	492.519	6	0	71.06	5	9	1	-1.0901	7.59205	4.21	11.126	40.8105	147.2905	3.64070000000001	452.544168290036
Cond-007854	NPD7876	NPD7876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8574257426	COc1cc2c(cc1OC)c(=O)oc(n2)c1ccccc1	InChI=1S/C16H13NO4/c1-19-13-8-11-12(9-14(13)20-2)17-15(21-16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	C16H13NO4	283.279	5	0	57.12	3	3	0	-0.16	2.81858	2.67	3.995	27.1219	81.437	2.0278	251.488834016278
Cond-007855	NPD7877	NPD7877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7683168317	COc1cccc2c1nc(Nc1nc(=O)c3ccccc3n1C)nc2C	InChI=1S/C19H17N5O2/c1-11-12-8-6-10-15(26-3)16(12)21-18(20-11)23-19-22-17(25)13-7-4-5-9-14(13)24(19)2/h4-10H,1-3H3,(H,20,21,22,23,25)	C19H17N5O2	347.371	7	1	79.71	4	3	0	-0.749200000000001	4.17768	2.78	4.705	34.6862	105.7737	2.5377	301.253999223024
Cond-007856	NPD7878	NPD7878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8165016502	COC(=O)c1ccccc1NC(=O)C(C)C	InChI=1S/C12H15NO3/c1-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16-3/h4-8H,1-3H3,(H,13,14)	C12H15NO3	221.252	4	1	55.4	1	5	0	0.1107	2.03609	2.34	2.786	34.5165	64.2707	1.7517	217.03696231625
Cond-007857	NPD7879	NPD7879	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.4105610561	COc1cc2cc(nc(C)c2cc1OC)c1cc(C)c(OC)cc1	InChI=1S/C20H21NO3/c1-12-8-14(6-7-18(12)22-3)17-9-15-10-19(23-4)20(24-5)11-16(15)13(2)21-17/h6-11H,1-5H3	C20H21NO3	323.386	4	0	40.58	3	4	0	0.926099999999999	4.99273	3.22	4.058	33.182	98.3670000000001	2.5327	300.982545819185
Cond-007858	NPD788	NPD788	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.7156583979	Cc1ccc(NC(=O)CNC(=O)C2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C21H28N2O7/c1-11-6-8-12(9-7-11)23-13(24)10-22-18(25)16-14-15(28-20(2,3)27-14)17-19(26-16)30-21(4,5)29-17/h6-9,14-17,19H,10H2,1-5H3,(H,22,25)(H,23,24)/t14-,15+,16?,17-,19-/m1/s1	C21H28N2O7	420.456	9	2	104.35	4	6	0	-1.5308	1.9998	2.78	2.256	77.9326	107.7304	3.0286	381.789114857063
Cond-007859	NPD7880	NPD7880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.3557755776	OC(=O)c1cc2c3c(oc4c3CCCC4)cc(Br)c2oc1=O	InChI=1S/C16H11BrO5/c17-10-6-12-13(7-3-1-2-4-11(7)21-12)8-5-9(15(18)19)16(20)22-14(8)10/h5-6H,1-4H2,(H,18,19)	C16H11BrO5	363.16	5	1	76.74	4	1	0	0.417999999999999	3.43837	2.56	3.726	47.9681	86.1478	2.0961	258.845919486239
Cond-007860	NPD7881	NPD7881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9062706271	Cc1nc2c(cccc2)c(=O)n1CCCn1ccnc1	InChI=1S/C15H16N4O/c1-12-17-14-6-3-2-5-13(14)15(20)19(12)9-4-8-18-10-7-16-11-18/h2-3,5-7,10-11H,4,8-9H2,1H3	C15H16N4O	268.314	5	0	50.49	3	4	0	-0.8418	2.34518	2.56	2.237	34.2985	80.928	2.0532	243.448908614028
Cond-007861	NPD7882	NPD7882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5141914191	COc1ccc(cc1)C(=O)Nc1c(cccc1)C(=O)NC(C(C)C)C(=O)NCCCn1ccnc1	InChI=1S/C26H31N5O4/c1-18(2)23(26(34)28-13-6-15-31-16-14-27-17-31)30-25(33)21-7-4-5-8-22(21)29-24(32)19-9-11-20(35-3)12-10-19/h4-5,7-12,14,16-18,23H,6,13,15H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)	C26H31N5O4	477.555	9	3	114.35	3	14	1	-1.792	3.67338000000001	3.33	4.009	62.4649	136.5996	3.707	449.626345005214
Cond-007862	NPD7884	NPD7884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1465346535	CC(C)(O)C#Cc1ccc2C(=O)OC(=O)c3c2c1ccc3	InChI=1S/C17H12O4/c1-17(2,20)9-8-10-6-7-13-14-11(10)4-3-5-12(14)15(18)21-16(13)19/h3-7,20H,1-2H3	C17H12O4	280.275	4	1	63.6	3	0	0	0.5096	2.32078	2.89	3.738	36.1292	79.2463	2.0259	255.151599733178
Cond-007863	NPD7885	NPD7885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7432343234	CN1C(=O)N(C)C(=O)C(=CNCCc2c[nH]c3c2cccc3)C1=O	InChI=1S/C17H18N4O3/c1-20-15(22)13(16(23)21(2)17(20)24)10-18-8-7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,18-19H,7-8H2,1-2H3	C17H18N4O3	326.35	7	2	85.51	3	4	0	-1.4925	1.31767	2.56	2.139	55.3232	93.4707	2.4094	292.984872566085
Cond-007864	NPD7886	NPD7886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3854785479	CN(C)c1cc2c(cc1)nc1c(=O)n(C)c(=O)n(C)c1n2	InChI=1S/C14H15N5O2/c1-17(2)8-5-6-9-10(7-8)16-12-11(15-9)13(20)19(4)14(21)18(12)3/h5-7H,1-4H3	C14H15N5O2	285.301	7	0	69.64	3	1	0	-0.328800000000001	1.71118	2.23	0.65	40.5689	83.82	2.0708	245.939910896889
Cond-007865	NPD7887	NPD7887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0798679868	CN1C(=O)N(C)C(=O)C(=CNc2cc3c(cc2)nc2c(=O)n(C)c(=O)n(C)c2n3)C1=O	InChI=1S/C19H17N7O5/c1-23-14-13(17(29)26(4)18(23)30)21-11-6-5-9(7-12(11)22-14)20-8-10-15(27)24(2)19(31)25(3)16(10)28/h5-8,20H,1-4H3	C19H17N7O5	423.382	12	1	136.12	4	2	1	-1.8859	0.91757	2.23	-0.419	69.1367	111.8647	2.8704	357.881741040241
Cond-007866	NPD7888	NPD7888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8435643564	Cn1c(=O)n(C)c2nc3c(ccc(NC(=O)c4ccccc4)c3)nc2c1=O	InChI=1S/C19H15N5O3/c1-23-16-15(18(26)24(2)19(23)27)21-13-9-8-12(10-14(13)22-16)20-17(25)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,25)	C19H15N5O3	361.354	8	1	95.5	4	3	0	-1.1814	3.90276	2.67	3.043	33.719	105.1722	2.5534	307.407767222785
Cond-007867	NPD7889	NPD7889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.9623762376	COc1cc(ccc1)C1NC(CS1)C(=O)O	InChI=1S/C11H13NO3S/c1-15-8-4-2-3-7(5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)	C11H13NO3S	239.291	4	2	83.86	2	3	0	-0.1347	1.37619	2.12	1.58	36.8411	65.2175	1.7087	208.530001747984
Cond-007868	NPD789	NPD789	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4916630419	CCCCCCc1c(OCc2ccc(OC)cc2)cc2oc(=O)c3c(CCCC3)c2c1	InChI=1S/C27H32O4/c1-3-4-5-6-9-20-16-24-22-10-7-8-11-23(22)27(28)31-26(24)17-25(20)30-18-19-12-14-21(29-2)15-13-19/h12-17H,3-11,18H2,1-2H3	C27H32O4	420.541	4	0	44.76	4	9	1	-1.6983	7.35686000000001	3.99	7.67	65.7817	128.184	3.3693	418.391445991847
Cond-007869	NPD7890	NPD7890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6620462046	Oc1ccc(cc1)C1NC(=O)c2c(N1)cccc2	InChI=1S/C14H12N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,13,15,17H,(H,16,18)	C14H12N2O2	240.257	4	3	61.36	3	1	0	-1.3833	2.47368	2.56	2.67	16.4836	70.8652	1.7714	212.949630272389
Cond-007870	NPD7891	NPD7891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2462046205	O=C1NC(Nc2c1cccc2)c1ccc2OCOc2c1	InChI=1S/C15H12N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7,14,16H,8H2,(H,17,18)	C15H12N2O3	268.267	5	2	59.59	4	1	0	-1.2257	2.99757	2.56	2.672	21.3911	77.3844	1.8624	226.679382898017
Cond-007871	NPD7892	NPD7892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1914191419	COc1ccc(cc1OC)C(=O)CC1(O)C(=O)Nc2c1cc(Br)cc2	InChI=1S/C18H16BrNO5/c1-24-15-6-3-10(7-16(15)25-2)14(21)9-18(23)12-8-11(19)4-5-13(12)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)	C18H16BrNO5	406.227	6	2	84.86	3	5	0	-0.823800000000001	3.16109	2.67	3.025	45.435	97.9145	2.5433	314.15464894614
Cond-007872	NPD7893	NPD7893	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	92.704950495	Cc1cc2c(NC(=O)C2(O)CC(=O)c2c(O)cccc2)cc1	InChI=1S/C17H15NO4/c1-10-6-7-13-12(8-10)17(22,16(21)18-13)9-15(20)11-4-2-3-5-14(11)19/h2-8,19,22H,9H2,1H3,(H,18,21)	C17H15NO4	297.305	5	3	86.63	3	3	0	-1.4273	2.38051	2.78	3.69	30.271	82.6368	2.1687	268.784818642145
Cond-007873	NPD7894	NPD7894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2257425743	COc1cc(OC)c(cc1)C(=O)CC1(O)C(=O)Nc2c1cc(C)cc2	InChI=1S/C19H19NO5/c1-11-4-7-15-14(8-11)19(23,18(22)20-15)10-16(21)13-6-5-12(24-2)9-17(13)25-3/h4-9,23H,10H2,1-3H3,(H,20,22)	C19H19NO5	341.358	6	2	84.86	3	5	0	-1.0706	2.42661	2.89	3.125	42.338	93.8545	2.5092	312.16701459444
Cond-007874	NPD7896	NPD7896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.452805281	OC1(CC(=O)c2cc3c(oc2=O)cccc3)C(=O)Nc2c1cccc2	InChI=1S/C19H13NO5/c21-15(12-9-11-5-1-4-8-16(11)25-17(12)22)10-19(24)13-6-2-3-7-14(13)20-18(19)23/h1-9,24H,10H2,(H,20,23)	C19H13NO5	335.31	6	2	92.7	4	3	0	-1.4279	2.65377	2.89	3.893	37.5945	92.6195	2.3146	294.53763849204
Cond-007875	NPD7897	NPD7897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3359735974	CC(C)c1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1cccc2	InChI=1S/C19H19NO3/c1-12(2)13-7-9-14(10-8-13)17(21)11-19(23)15-5-3-4-6-16(15)20-18(19)22/h3-10,12,23H,11H2,1-2H3,(H,20,22)	C19H19NO3	309.359	4	2	66.4	3	4	1	-1.0361	3.77029	3.11	5.723	36.4721	91.421	2.3918	294.586561193318
Cond-007876	NPD7898	NPD7898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9518151815	CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2c1cccc2	InChI=1S/C17H15NO4/c1-18-13-8-4-3-7-12(13)17(22,16(18)21)10-15(20)11-6-2-5-9-14(11)19/h2-9,19,22H,10H2,1H3	C17H15NO4	297.305	5	2	77.84	3	3	0	-1.967	2.03829	2.78	3.08	30.4656	83.7366	2.1687	268.784818642145
Cond-007877	NPD7899	NPD7899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4910891089	COc1ccc(cc1OC)C(=O)CC1(O)C(=O)N(C)c2c1cccc2	InChI=1S/C19H19NO5/c1-20-14-7-5-4-6-13(14)19(23,18(20)22)11-15(21)12-8-9-16(24-2)17(10-12)25-3/h4-10,23H,11H2,1-3H3	C19H19NO5	341.358	6	1	76.07	3	5	0	-1.6103	2.34989	2.89	2.515	42.5326	95.1758	2.5092	312.16701459444
Cond-007878	NPD79	NPD79	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0669643896	CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)C(O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15?,16?,17?,19-,21+,22+,23+,24-/m1/s1	C24H31FO6	434.498	6	2	93.06	5	2	0	-0.659900000000003	2.50507	3.33	1.224	110.5159	111.3016	3.1451	410.140880468076
Cond-007879	NPD790	NPD790	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2735269082	CC(=O)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)O	InChI=1S/C23H18N2O6/c1-14(26)31-18-11-9-15(10-12-18)21(27)24-17-6-4-5-16(13-17)22(28)25-20-8-3-2-7-19(20)23(29)30/h2-13H,1H3,(H,24,27)(H,25,28)(H,29,30)	C23H18N2O6	418.399	8	3	121.8	3	9	1	-1.5906	3.78309	3.11	5.168	33.8184	116.5222	3.0163	377.055646502635
Cond-007880	NPD7900	NPD7900	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.6495049505	COc1cc(OC)c(cc1)C(=O)CC1(O)C(=O)N(C)c2c1cccc2	InChI=1S/C19H19NO5/c1-20-15-7-5-4-6-14(15)19(23,18(20)22)11-16(21)13-9-8-12(24-2)10-17(13)25-3/h4-10,23H,11H2,1-3H3	C19H19NO5	341.358	6	1	76.07	3	5	0	-1.6103	2.34989	2.89	2.515	42.5326	95.1758	2.5092	312.16701459444
Cond-007881	NPD7901	NPD7901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6528052805	OC(=O)CC1OC(=O)c2cc3c(cc12)C(=O)OC3CC(=O)O	InChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18)	C14H10O8	306.224	8	2	127.2	3	4	0	-0.693	0.61069	2.12	0.0240000000000001	42.9162	68.9476	1.924	254.597470059423
Cond-007882	NPD7902	NPD7902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2554455446	COc1ccc(cc1)C(=O)C(OC(=O)c1cc2ccccc2oc1=O)c1ccccc1	InChI=1S/C25H18O6/c1-29-19-13-11-16(12-14-19)22(26)23(17-7-3-2-4-8-17)31-25(28)20-15-18-9-5-6-10-21(18)30-24(20)27/h2-15,23H,1H3	C25H18O6	414.407	6	0	78.9	4	7	1	-0.3827	4.37587	3.55	6.887	37.6665	116.1175	2.9899	377.297636637235
Cond-007883	NPD7903	NPD7903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.603960396	CC(C)OC(=O)c1cc(=O)[nH]c2ccccc12	InChI=1S/C13H13NO3/c1-8(2)17-13(16)10-7-12(15)14-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,14,15)	C13H13NO3	231.247	4	1	55.4	2	3	0	-0.5082	2.62497	2.45	2.619	37.9519	66.7007	1.741	219.340029540517
Cond-007884	NPD7904	NPD7904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6600660066	O=c1[nH]cnc2cc3c(cc12)nc[nH]c3=O	InChI=1S/C10H6N4O2/c15-9-5-1-7-6(10(16)14-3-11-7)2-8(5)12-4-13-9/h1-4H,(H,11,14,16)(H,12,13,15)	C10H6N4O2	214.18	6	2	82.92	3	0	0	-1.338	0.25677	1.9	-0.056	29.985	62.3299	1.4074	176.659212185256
Cond-007885	NPD7905	NPD7905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.498349835	Cc1c2C(=O)N(C(=O)c2c2ccccc2n1)c1ccc(cc1)C(=O)OCC(=O)c1ccc(Cl)cc1	InChI=1S/C27H17ClN2O5/c1-15-23-24(20-4-2-3-5-21(20)29-15)26(33)30(25(23)32)19-12-8-17(9-13-19)27(34)35-14-22(31)16-6-10-18(28)11-7-16/h2-13H,14H2,1H3	C27H17ClN2O5	484.887	7	0	93.64	5	6	1	-0.1312	5.1301	3.55	5.627	39.9308	133.0925	3.3404	411.774591272774
Cond-007886	NPD7906	NPD7906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5597359736	Cc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)N1C(=O)c2c(C)nc3ccccc3c2C1=O	InChI=1S/C28H20N2O5/c1-16-7-9-18(10-8-16)23(31)15-35-28(34)19-11-13-20(14-12-19)30-26(32)24-17(2)29-22-6-4-3-5-21(22)25(24)27(30)33/h3-14H,15H2,1-2H3	C28H20N2O5	464.469	7	0	93.64	5	6	1	-0.2335	4.50472	3.77	6.487	39.8173	131.7225	3.3589	413.859508128208
Cond-007887	NPD7908	NPD7908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8224422442	Cc1c(c(=O)c2ccc(OCc3ccc(Cl)cc3)cc2o1)c1ccc2OCCOc2c1	InChI=1S/C25H19ClO5/c1-15-24(17-4-9-21-23(12-17)29-11-10-28-21)25(27)20-8-7-19(13-22(20)31-15)30-14-16-2-5-18(26)6-3-16/h2-9,12-13H,10-11,14H2,1H3	C25H19ClO5	434.868	5	0	53.99	5	4	1	0.1638	5.64347	3.55	5.466	45.7333	120.475	3.031	376.634936407907
Cond-007888	NPD7909	NPD7909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0481848185	CCCc1c(OCc2ccc(F)cc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C22H21FO3/c1-2-4-15-11-19-17-5-3-6-18(17)22(24)26-21(19)12-20(15)25-13-14-7-9-16(23)10-8-14/h7-12H,2-6,13H2,1H3	C22H21FO3	352.399	3	0	35.53	4	5	1	-0.0147999999999995	5.92696	3.44	5.797	47.692	103.122	2.6238	329.188855012258
Cond-007889	NPD791	NPD791	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.2798801411	CCCCCCc1c(OCc2ccccc2OC)cc2oc(=O)cc(c3ccccc3)c2c1	InChI=1S/C29H30O4/c1-3-4-5-7-14-22-17-25-24(21-12-8-6-9-13-21)18-29(30)33-28(25)19-27(22)32-20-23-15-10-11-16-26(23)31-2/h6,8-13,15-19H,3-5,7,14,20H2,1-2H3	C29H30O4	442.546	4	0	44.76	4	10	1	-1.1582	8.01646000000001	4.21	10.28	51.3727	138.644	3.5221	434.17403914118
Cond-007890	NPD7910	NPD7910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.579537954	C(=C\c1cccc(/C=C/c2ccccc2)n1)/c1ccccc1	InChI=1S/C21H17N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-17H/b16-14+,17-15+	C21H17N	283.366	1	0	12.89	3	4	1	0.9356	5.24437	3.66	10.5	20.6372	92.31	2.3685	283.998474240968
Cond-007891	NPD7911	NPD7911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2646864686	CCCc1c(C)c2ccc(OC(=O)CNC(=O)OC(C)(C)C)cc2oc1=O	InChI=1S/C20H25NO6/c1-6-7-15-12(2)14-9-8-13(10-16(14)26-18(15)23)25-17(22)11-21-19(24)27-20(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,21,24)	C20H25NO6	375.416	7	1	90.93	2	9	0	1.1099	3.70808000000001	2.89	4.191	72.4949	104.3657	2.8604	364.146143322469
Cond-007892	NPD7912	NPD7912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4204620462	CCCc1c(C)c2ccc(OC(=O)CNC(=O)c3ccccc3)cc2oc1=O	InChI=1S/C22H21NO5/c1-3-7-18-14(2)17-11-10-16(12-19(17)28-22(18)26)27-20(24)13-23-21(25)15-8-5-4-6-9-15/h4-6,8-12H,3,7,13H2,1-2H3,(H,23,25)	C22H21NO5	379.406	6	1	81.7	3	8	1	-0.4745	4.06657	3.22	5.466	51.6431	108.2312	2.8459	358.782051070441
Cond-007893	NPD7913	NPD7913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6613861386	Cc1cc(=O)oc2cc(OCC(=O)N)ccc12	InChI=1S/C12H11NO4/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H2,13,14)	C12H11NO4	233.22	5	2	78.62	2	3	0	-0.2743	1.42497	2.23	0.767	34.4398	64.6594	1.6588	210.834271615211
Cond-007894	NPD7914	NPD7914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.1201320132	CCCc1c(OC(=O)CNC(=O)OC(C)(C)C)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C22H27NO6/c1-5-7-13-10-16-14-8-6-9-15(14)20(25)28-18(16)11-17(13)27-19(24)12-23-21(26)29-22(2,3)4/h10-11H,5-9,12H2,1-4H3,(H,23,26)	C22H27NO6	401.453	7	1	90.93	3	9	0	0.304699999999997	4.52527000000001	3.11	4.427	79.6352	113.6907	3.0336	386.381653873402
Cond-007895	NPD7915	NPD7915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.5623762376	CCCc1c(C)c2ccc(OC(=O)CCNC(=O)OC(C)(C)C)cc2oc1=O	InChI=1S/C21H27NO6/c1-6-7-16-13(2)15-9-8-14(12-17(15)27-19(16)24)26-18(23)10-11-22-20(25)28-21(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,22,25)	C21H27NO6	389.442	7	1	90.93	2	10	0	1.3581	4.09818000000001	3	4.349	77.1943	108.9827	3.0013	381.442127948335
Cond-007896	NPD7916	NPD7916	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4132013201	CC(=O)Oc1cc(OC(=O)C)c2c(oc(=O)c3c2cccc3)c1	InChI=1S/C17H12O6/c1-9(18)21-11-7-14(22-10(2)19)16-12-5-3-4-6-13(12)17(20)23-15(16)8-11/h3-8H,1-2H3	C17H12O6	312.274	6	0	78.9	3	4	0	-0.2535	3.25438	2.67	4.041	29.7239	85.421	2.1433	272.732053134301
Cond-007897	NPD7917	NPD7917	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.161056106	Cc1c(Oc2ccccc2)c(=O)c2ccc(OCC(=O)C3CCOC(C)(C)C3)cc2o1	InChI=1S/C25H26O6/c1-16-24(31-18-7-5-4-6-8-18)23(27)20-10-9-19(13-22(20)30-16)28-15-21(26)17-11-12-29-25(2,3)14-17/h4-10,13,17H,11-12,14-15H2,1-3H3	C25H26O6	422.47	6	0	71.06	4	6	1	-1.0967	5.62146000000001	3.55	5.222	66.3157	121.301	3.1619	398.743471440436
Cond-007898	NPD7918	NPD7918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6943894389	CC1(C)CC(CCO1)C(=O)COc1cc(O)c2c(=O)cc(oc2c1)c1ccccc1	InChI=1S/C24H24O6/c1-24(2)13-16(8-9-29-24)20(27)14-28-17-10-18(25)23-19(26)12-21(30-22(23)11-17)15-6-4-3-5-7-15/h3-7,10-12,16,25H,8-9,13-14H2,1-2H3	C24H24O6	408.444	6	1	82.06	4	5	0	-1.5023	4.44797000000001	3.44	4.222	62.1259	114.7618	3.021	381.447486814569
Cond-007899	NPD792	NPD792	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7403529616	Clc1ccc(cc1)c1coc2c1cc1c(oc(=O)c3c1CCCC3)c2	InChI=1S/C21H15ClO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h5-11H,1-4H2	C21H15ClO3	350.795	3	0	39.44	5	1	1	0.1245	6.60017	3.33	5.025	36.9588	102.809	2.436	295.143461904918
Cond-007900	NPD7920	NPD7920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.262836027	CCCC(NCc1c2oc(=O)cc(c3ccccc3)c2ccc1O)C(=O)O	InChI=1S/C21H21NO5/c1-2-6-17(21(25)26)22-12-16-18(23)10-9-14-15(11-19(24)27-20(14)16)13-7-4-3-5-8-13/h3-5,7-11,17,22-23H,2,6,12H2,1H3,(H,25,26)	C21H21NO5	367.395	6	3	95.86	3	7	1	-1.7163	3.72357	3.11	5.329	48.1559	106.6055	2.748	344.122525145374
Cond-007901	NPD7921	NPD7921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9609649465	CC(C)CC(NCc1c2oc(=O)cc(c3ccccc3)c2ccc1O)C(=O)O	InChI=1S/C22H23NO5/c1-13(2)10-18(22(26)27)23-12-17-19(24)9-8-15-16(11-20(25)28-21(15)17)14-6-4-3-5-7-14/h3-9,11,13,18,23-24H,10,12H2,1-2H3,(H,26,27)	C22H23NO5	381.422	6	3	95.86	3	7	1	-0.363099999999999	3.96957	3.22	5.837	55.1536	111.1525	2.8889	361.418509771241
Cond-007902	NPD7922	NPD7922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7534806256	CCCCCCc1c(OC(=O)C(C)NC(=O)OCc2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C29H33NO6/c1-3-4-5-9-13-21-16-24-22-14-10-15-23(22)28(32)36-26(24)17-25(21)35-27(31)19(2)30-29(33)34-18-20-11-7-6-8-12-20/h6-8,11-12,16-17,19H,3-5,9-10,13-15,18H2,1-2H3,(H,30,33)	C29H33NO6	491.575	7	1	90.93	4	13	2	-1.4853	6.14627000000001	3.88	8.268	78.2412	141.7737	3.7823	476.28771145127
Cond-007903	NPD7923	NPD7923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.454289952	CCCCCCc1c(OC(=O)CCNC(=O)OCc2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C29H33NO6/c1-2-3-4-8-12-21-17-24-22-13-9-14-23(22)28(32)36-26(24)18-25(21)35-27(31)15-16-30-29(33)34-19-20-10-6-5-7-11-20/h5-7,10-11,17-18H,2-4,8-9,12-16,19H2,1H3,(H,30,33)	C29H33NO6	491.575	7	1	90.93	4	14	2	-1.3331	6.14787000000001	3.88	7.9	78.2811	141.7957	3.7823	476.28771145127
Cond-007904	NPD7924	NPD7924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.701251724	CCCCCCc1c(OC(=O)CNC(=O)c2ccccc2)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C27H29NO5/c1-2-3-4-6-12-19-15-22-20-13-9-14-21(20)27(31)33-24(22)16-23(19)32-25(29)17-28-26(30)18-10-7-5-8-11-18/h5,7-8,10-11,15-16H,2-4,6,9,12-14,17H2,1H3,(H,28,30)	C27H29NO5	447.523	6	1	81.7	4	11	2	-2.1437	6.05406000000001	3.77	7.409	67.5182	131.4072	3.4418	432.905515498975
Cond-007905	NPD7925	NPD7925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.001899706	CN(C)Cc1c(O)c(CN(C)C)c2oc(=O)c3c(CCC3)c2c1O	InChI=1S/C18H24N2O4/c1-19(2)8-12-15(21)13(9-20(3)4)17-14(16(12)22)10-6-5-7-11(10)18(23)24-17/h21-22H,5-9H2,1-4H3	C18H24N2O4	332.394	6	2	73.24	3	4	0	-0.639499999999998	2.43048	2.78	-0.085	69.9489	96.6408	2.5384	315.886939578579
Cond-007906	NPD7926	NPD7926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.1127072111	Cc1cc(O)c2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C16H12O3/c1-10-7-13(17)16-12(11-5-3-2-4-6-11)9-15(18)19-14(16)8-10/h2-9,17H,1H3	C16H12O3	252.265	3	1	46.53	3	1	1	0.2561	3.32289	2.89	5.085	23.3818	75.1448	1.8693	231.70184710755
Cond-007907	NPD7927	NPD7927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9554740157	CC1=C/C(=C/2\N=C(OC2=O)c2ccccc2)/C=C(C)O1	InChI=1S/C16H13NO3/c1-10-8-13(9-11(2)19-10)14-16(18)20-15(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3	C16H13NO3	267.279	4	0	47.89	3	1	0	0.535899999999999	3.09436	2.78	3.884	53.2932	77.129	1.9691	253.598607315717
Cond-007908	NPD7928	NPD7928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	109.142009525	Cn1c(=O)c(O)c2c3c(cccc3)c(=O)c3c2c1ccc3	InChI=1S/C17H11NO3/c1-18-12-8-4-7-11-13(12)14(16(20)17(18)21)9-5-2-3-6-10(9)15(11)19/h2-8,20H,1H3	C17H11NO3	277.274	4	1	57.61	4	0	0	-1.0872	2.83757	2.89	3.87	29.1882	80.7608	1.9584	245.001674539984
Cond-007909	NPD7929	NPD7929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7015640045	CCCCCCNc1c2c3c(cccc3)c(=O)c3c2c(ccc3Br)n(C)c1=O	InChI=1S/C23H23BrN2O2/c1-3-4-5-8-13-25-21-18-14-9-6-7-10-15(14)22(27)19-16(24)11-12-17(20(18)19)26(2)23(21)28/h6-7,9-12,25H,3-5,8,13H2,1-2H3	C23H23BrN2O2	439.345	4	1	49.41	4	6	1	-1.5916	5.21197000000001	3.44	6.844	61.0668	117.9767	3.0199	370.267734780358
Cond-007910	NPD793	NPD793	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3386280155	COc1ccc(CNC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	InChI=1S/C20H23N3O3/c1-26-17-7-5-14(6-8-17)10-21-20(25)22-11-15-9-16(13-22)18-3-2-4-19(24)23(18)12-15/h2-8,15-16H,9-13H2,1H3,(H,21,25)/t15-,16-/m0/s1	C20H23N3O3	353.415	6	1	61.88	4	5	0	-1.4356	1.88557	3	1.248	73.9095	99.2827	2.6667	335.056066235519
Cond-007911	NPD7930	NPD7930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5161735238	CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)Oc1ccc(cc1)N(=O)=O	InChI=1S/C18H21NO9/c1-17(2)25-11-12(26-17)14-16(28-18(3,4)27-14)24-13(11)15(20)23-10-7-5-9(6-8-10)19(21)22/h5-8,11-14,16H,1-4H3/t11-,12+,13+,14-,16-/m1/s1	C18H21NO9	395.361	10	0	115.59	4	4	0	-0.1324	2.49038	2.34	2.968	63.1672	98.432	2.6235	336.484854172418
Cond-007912	NPD7932	NPD7932	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.127514508	O=c1[nH]c(=O)c2c([nH]1)nc(N/N=C/c1ccco1)nn2	InChI=1S/C10H7N7O3/c18-8-6-7(13-10(19)14-8)12-9(17-15-6)16-11-4-5-2-1-3-20-5/h1-4H,(H3,12,13,14,16,17,18,19)/b11-4+	C10H7N7O3	273.208	10	3	134.4	3	3	0	-1.3599	0.49196	1.46	1.109	27.3542	71.9876	1.7225	204.903260809517
Cond-007913	NPD7933	NPD7933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.0381762823	COc1cc(/C=C/C(=O)NCc2cc3c(OCO3)cc2)cc(OC)c1OC	InChI=1S/C20H21NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)5-7-19(22)21-11-14-4-6-15-16(10-14)27-12-26-15/h4-10H,11-12H2,1-3H3,(H,21,22)/b7-5+	C20H21NO6	371.384	7	1	75.25	3	8	0	-0.720199999999999	2.98317	2.89	2.41	51.8167	103.0297	2.7088	338.253225920868
Cond-007914	NPD7934	NPD7934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.8259036615	O=C(OCc1cc2c(OCO2)cc1)c1ccc2OCOc2c1	InChI=1S/C16H12O6/c17-16(11-2-4-13-15(6-11)22-9-20-13)18-7-10-1-3-12-14(5-10)21-8-19-12/h1-6H,7-9H2	C16H12O6	300.263	6	0	63.22	4	4	0	-0.684899999999999	3.13147	2.56	2.707	25.9481	80.637	1.9798	248.352527209234
Cond-007915	NPD7935	NPD7935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8868243683	OC[C@H]1O[C@@H](Oc2ccc(cc2)N(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1	C12H15NO8	301.249	9	4	142.52	2	4	0	-1.5471	-0.805610000000001	1.79	0.612	38.8679	70.4742000000001	1.9796	251.268095819056
Cond-007916	NPD7936	NPD7936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.1273323444	Cc1ccc(cc1)c1nccc2c1[nH]c1c2cccc1	InChI=1S/C18H14N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-11,20H,1H3	C18H14N2	258.317	2	1	28.68	4	1	1	0.2216	4.788	3.22	5.776	8.8021	86.074	2.023	225.123739272334
Cond-007917	NPD7937	NPD7937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.35524501	OC(=O)C1Cc2c([nH]c3c2cccc3)C(CCc2ccccc2)N1	InChI=1S/C20H20N2O2/c23-20(24)18-12-15-14-8-4-5-9-16(14)22-19(15)17(21-18)11-10-13-6-2-1-3-7-13/h1-9,17-18,21-22H,10-12H2,(H,23,24)	C20H20N2O2	320.385	4	3	65.12	4	4	1	-1.4513	3.25678	3.22	5.754	33.1824	98.0045	2.4652	290.83262062599
Cond-007918	NPD7938	NPD7938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.555963255	CCOC(=O)c1c(oc2ccc(OCc3c(C)oc(c3)C(=O)OC)cc12)c1ccccc1	InChI=1S/C25H22O7/c1-4-29-25(27)22-19-13-18(30-14-17-12-21(24(26)28-3)31-15(17)2)10-11-20(19)32-23(22)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3	C25H22O7	434.438	7	0	88.11	4	9	1	0.261600000000001	5.34809000000001	3.44	5.894	43.5726	125.4285	3.1346	380.460780739396
Cond-007919	NPD7939	NPD7939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.6677856715	COc1ccc2oc(c(C(=O)O)c2c1)c1ccccc1	InChI=1S/C16H12O4/c1-19-11-7-8-13-12(9-11)14(16(17)18)15(20-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18)	C16H12O4	268.264	4	1	59.67	3	3	0	-0.4457	3.74948	2.78	4.21	16.1542	81.2298000000001	1.928	229.592073808112
Cond-007920	NPD794	NPD794	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.150427645	Cc1ccc(cc1)C(=O)c1c(c2c3oc(=O)cc(C)c3ccc2o1)c1ccccc1	InChI=1S/C26H18O4/c1-15-8-10-18(11-9-15)24(28)26-22(17-6-4-3-5-7-17)23-20(29-26)13-12-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3	C26H18O4	394.419	4	0	56.51	5	3	1	0.9405	6.20758	3.88	8.174	33.2844	121.7395	2.9048	353.75670916118
Cond-007921	NPD7940	NPD7940	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8056574804	OC(=O)c1c(oc2ccc(O)cc12)c1ccccc1	InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(15(17)18)14(19-12)9-4-2-1-3-5-9/h1-8,16H,(H,17,18)	C15H10O4	254.238	4	2	70.67	3	2	0	-0.8542	3.44648	2.67	3.691	11.403	76.3426	1.7871	212.296089182245
Cond-007922	NPD7941	NPD7941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3268274911	COC(=O)c1c(C)oc2cc3c(oc(C)c3C(=O)OC)cc12	InChI=1S/C16H14O6/c1-7-13(15(17)19-3)9-5-12-10(6-11(9)21-7)14(8(2)22-12)16(18)20-4/h5-6H,1-4H3	C16H14O6	302.279	6	0	78.88	3	4	0	0.5932	2.68352	2.56	2.184	38.68	83.5585	2.0884	249.808985910034
Cond-007923	NPD7942	NPD7942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2858927317	COC(=O)c1ccc(COc2ccc3c(oc(=O)cc3c3ccccc3)c2)o1	InChI=1S/C22H16O6/c1-25-22(24)19-10-8-16(27-19)13-26-15-7-9-17-18(14-5-3-2-4-6-14)12-21(23)28-20(17)11-15/h2-12H,13H2,1H3	C22H16O6	376.359	6	0	74.97	4	6	1	-0.211	4.18917	3.22	6.109	35.2539	105.8925	2.6532	330.682600161235
Cond-007924	NPD7944	NPD7944	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9027246467	CCCCCCc1c(OCc2ccc(o2)C(=O)OC)cc2oc(=O)c3c(CCC3)c2c1	InChI=1S/C25H28O6/c1-3-4-5-6-8-16-13-20-18-9-7-10-19(18)24(26)31-23(20)14-22(16)29-15-17-11-12-21(30-17)25(27)28-2/h11-14H,3-10,15H2,1-2H3	C25H28O6	424.486	6	0	74.97	4	10	1	-1.5014	6.23577000000001	3.55	6.098	69.1618	123.89	3.2049	401.379930141236
Cond-007925	NPD7945	NPD7945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.947172561	CC(Oc1ccc2c(oc(=O)c(C)c2C)c1)C(=O)C	InChI=1S/C15H16O4/c1-8-9(2)15(17)19-14-7-12(5-6-13(8)14)18-11(4)10(3)16/h5-7,11H,1-4H3	C15H16O4	260.285	4	0	52.6	2	3	0	0.7557	3.30727	2.67	2.467	46.7853	75.358	1.9817	251.725465284645
Cond-007926	NPD7946	NPD7946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9527936087	CC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C	InChI=1S/C15H16O4/c1-8(16)7-18-13-6-5-12-9(2)10(3)15(17)19-14(12)11(13)4/h5-6H,7H2,1-4H3	C15H16O4	260.285	4	0	52.6	2	3	0	1.3017	3.50229	2.67	2.053	47.6279	76.73	1.9817	251.725465284645
Cond-007927	NPD7947	NPD7947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5016785073	Cc1c(C)c2c(o1)cc1oc(=O)ccc1c2	InChI=1S/C13H10O3/c1-7-8(2)15-12-6-11-9(5-10(7)12)3-4-13(14)16-11/h3-6H,1-2H3	C13H10O3	214.217	3	0	39.44	3	0	0	1.1974	2.95381	2.56	2.743	29.3889	64.834	1.5326	185.08681063155
Cond-007928	NPD7948	NPD7948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5551305072	Cc1c(C)c2c(o1)cc1oc(=O)cc(C)c1c2	InChI=1S/C14H12O3/c1-7-4-14(15)17-12-6-13-11(5-10(7)12)8(2)9(3)16-13/h4-6H,1-3H3	C14H12O3	228.243	3	0	39.44	3	0	0	1.6438	3.34391	2.67	2.805	33.6709	69.451	1.6735	202.382795257417
Cond-007929	NPD7949	NPD7949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1345408177	CCc1cc(=O)oc2cc3c(cc12)c(C)co3	InChI=1S/C14H12O3/c1-3-9-4-14(15)17-13-6-12-10(5-11(9)13)8(2)7-16-12/h4-7H,3H2,1-2H3	C14H12O3	228.243	3	0	39.44	3	1	0	0.8692	3.72519	2.67	2.772	32.7868	67.999	1.6735	202.382795257417
Cond-007930	NPD795	NPD795	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3046706765	O=c1oc2cc3c(cc2c2c1CCCC2)c(co3)c1cc2ccccc2cc1	InChI=1S/C25H18O3/c26-25-19-8-4-3-7-18(19)20-12-21-22(14-27-23(21)13-24(20)28-25)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-14H,3-4,7-8H2	C25H18O3	366.409	3	0	39.44	6	1	1	-0.6198	7.09997	3.88	7.86	31.3432	115.305	2.6826	320.586956535552
Cond-007931	NPD7950	NPD7950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9965388919	Cc1coc2c1cc1c(oc(=O)c(C)c1C)c2	InChI=1S/C14H12O3/c1-7-6-16-12-5-13-11(4-10(7)12)8(2)9(3)14(15)17-13/h4-6H,1-3H3	C14H12O3	228.243	3	0	39.44	3	0	0	1.7574	3.72519	2.67	2.489	32.2955	67.999	1.6735	202.382795257417
Cond-007932	NPD7951	NPD7951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2608582507	Cc1c(C)c2c(o1)cc1oc(=O)c(C)c(C)c1c2	InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3	C15H14O3	242.27	3	0	39.44	3	0	0	2.1969	3.73401	2.78	2.986	38.028	74.068	1.8144	219.678779883284
Cond-007933	NPD7952	NPD7952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1810966248	Cc1coc2c1cc1c(C)c(C)c(=O)oc1c2C	InChI=1S/C15H14O3/c1-7-6-17-13-10(4)14-12(5-11(7)13)8(2)9(3)15(16)18-14/h5-6H,1-4H3	C15H14O3	242.27	3	0	39.44	3	0	0	2.3994	3.75321	2.78	2.601	37.7976	71.639	1.8144	219.678779883284
Cond-007934	NPD7953	NPD7953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.4833580555	Cc1coc2c1cc1c(oc(=O)cc1c1ccccc1)c2	InChI=1S/C18H12O3/c1-11-10-20-16-9-17-15(7-13(11)16)14(8-18(19)21-17)12-5-3-2-4-6-12/h2-10H,1H3	C18H12O3	276.286	3	0	39.44	4	1	1	0.5623	4.36349	3.11	5.476	22.4363	83.252	1.9995	240.400898957684
Cond-007935	NPD7954	NPD7954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6869388711	Cc1coc2c1cc1c(oc(=O)cc1c1ccccc1)c2C	InChI=1S/C19H14O3/c1-11-10-21-18-12(2)19-16(8-14(11)18)15(9-17(20)22-19)13-6-4-3-5-7-13/h3-10H,1-2H3	C19H14O3	290.313	3	0	39.44	4	1	1	1.2043	4.39151	3.22	5.588	27.9384	86.892	2.1404	257.696883583551
Cond-007936	NPD7956	NPD7956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8527858016	Cc1c(C)c2c(o1)cc1oc(=O)c3c(cccc3)c1c2	InChI=1S/C17H12O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h3-8H,1-2H3	C17H12O3	264.275	3	0	39.44	4	0	0	0.8363	4.18682	3	4.735	19.1454	82.284	1.9016	225.741373032617
Cond-007937	NPD7957	NPD7957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.509277331	Cc1coc2c1cc1c(oc(=O)c3c1cccc3)c2C	InChI=1S/C17H12O3/c1-9-8-19-15-10(2)16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h3-8H,1-2H3	C17H12O3	264.275	3	0	39.44	4	0	0	1.0388	4.20602	3	4.35	18.915	79.855	1.9016	225.741373032617
Cond-007938	NPD7958	NPD7958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.8731620996	Cc1c(C)c2c(o1)c(C)c1oc(=O)c3c(cccc3)c1c2	InChI=1S/C18H14O3/c1-9-11(3)20-16-10(2)17-15(8-14(9)16)12-6-4-5-7-13(12)18(19)21-17/h4-8H,1-3H3	C18H14O3	278.302	3	0	39.44	4	0	0	1.4783	4.21484	3.11	4.847	24.6475	85.924	2.0425	243.037357658484
Cond-007939	NPD7959	NPD7959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.0508236396	Cc1coc2c3c(oc(=O)cc3c3ccccc3)cc(C)c12	InChI=1S/C19H14O3/c1-11-8-15-18(19-17(11)12(2)10-21-19)14(9-16(20)22-15)13-6-4-3-5-7-13/h3-10H,1-2H3	C19H14O3	290.313	3	0	39.44	4	1	1	1.2043	4.39151	3.22	5.799	27.9384	86.892	2.1404	257.696883583551
Cond-007940	NPD796	NPD796	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0197939199	CCCCCCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1	InChI=1S/C23H26O5/c1-3-4-5-6-7-14-26-19-12-13-20-21(15-19)27-16-22(23(20)24)28-18-10-8-17(25-2)9-11-18/h8-13,15-16H,3-7,14H2,1-2H3	C23H26O5	382.45	5	0	53.99	3	10	1	-2.655	6.43606	3.44	6.848	51.576	114.233	2.973	370.354192889741
Cond-007941	NPD7960	NPD7960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.7592317901	Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)c3cc4c(OCO4)cc3)ccc12	InChI=1S/C27H22O6/c1-16-20-9-11-23(30-14-22(28)19-8-10-24-25(13-19)32-15-31-24)17(2)26(20)33-27(29)21(16)12-18-6-4-3-5-7-18/h3-11,13H,12,14-15H2,1-2H3	C27H22O6	442.46	6	0	71.06	5	6	1	0.8033	6.24848	3.77	6.576	48.7745	129.4775	3.2061	402.169605888969
Cond-007942	NPD7961	NPD7961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	65.1625159393	O=c1oc2cc3c(cc2c(c1)c1ccccc1)c(co3)c1cc2c(OCO2)cc1	InChI=1S/C24H14O5/c25-24-10-16(14-4-2-1-3-5-14)17-9-18-19(12-26-21(18)11-22(17)29-24)15-6-7-20-23(8-15)28-13-27-20/h1-12H,13H2	C24H14O5	382.365	5	0	57.9	6	2	1	-0.3824	6.28036	3.55	6.367	24.4063	114.116	2.6161	318.234966610007
Cond-007943	NPD7962	NPD7962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.9709318968	O=c1oc2cc3c(cc2c2c1CCC2)c(co3)c1cc2c(OCO2)cc1	InChI=1S/C21H14O5/c22-21-13-3-1-2-12(13)14-7-15-16(9-23-18(15)8-19(14)26-21)11-4-5-17-20(6-11)25-10-24-17/h4-9H,1-3,10H2	C21H14O5	346.333	5	0	57.9	6	1	0	-0.6345	5.78616	3.22	3.399	35.9037	101.366	2.3224	285.156388834807
Cond-007944	NPD7963	NPD7963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4337314909	Cc1c2oc(=O)c3c(CCC3)c2cc2c1occ2c1cc2c(OCO2)cc1	InChI=1S/C22H16O5/c1-11-20-16(8-15-13-3-2-4-14(13)22(23)27-21(11)15)17(9-24-20)12-5-6-18-19(7-12)26-10-25-18/h5-9H,2-4,10H2,1H3	C22H16O5	360.359	5	0	57.9	6	1	0	0.00749999999999997	5.81418	3.33	3.511	41.4058	105.006	2.4633	302.452373460674
Cond-007945	NPD7964	NPD7964	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1630884534	O=c1oc2cc3c(cc2c2c1cccc2)c(co3)c1cc2c(OCO2)cc1	InChI=1S/C22H12O5/c23-22-14-4-2-1-3-13(14)15-8-16-17(10-24-19(16)9-20(15)27-22)12-5-6-18-21(7-12)26-11-25-18/h1-10H,11H2	C22H12O5	356.328	5	0	57.9	6	1	1	-0.5479	6.09487	3.33	5.129	15.3829	107.079	2.3773	286.279456059074
Cond-007946	NPD7965	NPD7965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.5134931168	Cc1c2oc(=O)c3c(cccc3)c2cc2c1occ2c1cc2c(OCO2)cc1	InChI=1S/C23H14O5/c1-12-21-17(9-16-14-4-2-3-5-15(14)23(24)28-22(12)16)18(10-25-21)13-6-7-19-20(8-13)27-11-26-19/h2-10H,11H2,1H3	C23H14O5	370.354	5	0	57.9	6	1	1	0.0941000000000004	6.12289	3.44	5.241	20.885	110.719	2.5182	303.57544068494
Cond-007947	NPD7966	NPD7966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.8973638327	COc1ccc(cc1)c1coc2c1cc1c3c(CCC3)c(=O)oc1c2C	InChI=1S/C22H18O4/c1-12-20-18(19(11-25-20)13-6-8-14(24-2)9-7-13)10-17-15-4-3-5-16(15)22(23)26-21(12)17/h6-11H,3-5H2,1-2H3	C22H18O4	346.376	4	0	48.67	5	2	0	0.258399999999999	5.59329	3.44	4.028	41.2495	103.374	2.5132	306.018605460913
Cond-007948	NPD7968	NPD7968	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	53.6081401098	CCc1cc(=O)oc2cc(OCC=C(C)C)ccc12	InChI=1S/C16H18O3/c1-4-12-9-16(17)19-15-10-13(5-6-14(12)15)18-8-7-11(2)3/h5-7,9-10H,4,8H2,1-3H3	C16H18O3	258.312	3	0	35.53	2	4	0	1.795	4.22216	2.89	3.778	52.0996	79.2430000000001	2.0639	260.23122320995
Cond-007949	NPD7969	NPD7969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0186327322	CC(=CCOc1c(Cl)cc2c(oc(=O)c3c2CCCC3)c1)C	InChI=1S/C18H19ClO3/c1-11(2)7-8-21-17-10-16-14(9-15(17)19)12-5-3-4-6-13(12)18(20)22-16/h7,9-10H,3-6,8H2,1-2H3	C18H19ClO3	318.795	3	0	35.53	3	3	0	1.6923	5.40976	3	4.179	61.7737	91.373	2.3595	297.677801531318
Cond-007950	NPD797	NPD797	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.974623827	COc1c2C(C(=O)Nc3ccccc3C)[N+](C)(Cc3ccccc3)CCc2cc2c1OCO2	InChI=1S/C27H28N2O4/c1-18-9-7-8-12-21(18)28-27(30)24-23-20(15-22-25(26(23)31-3)33-17-32-22)13-14-29(24,2)16-19-10-5-4-6-11-19/h4-12,15,24H,13-14,16-17H2,1-3H3/p+1	C27H29N2O4+	445.53	6	1	56.79	5	6	1	-1.5672	5.59900000000001	3.77	5.417	50.6272	132.0771	3.3958	413.17381965618
Cond-007951	NPD7970	NPD7970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8402685612	COC(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)o1	InChI=1S/C16H12O6/c1-19-16(18)13-6-5-12(21-13)9-20-11-4-2-10-3-7-15(17)22-14(10)8-11/h2-8H,9H2,1H3	C16H12O6	300.263	6	0	74.97	3	5	0	-0.0154000000000001	2.77067	2.56	2.879	36.474	81.4055	2.0454	258.072527209234
Cond-007952	NPD7971	NPD7971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7334946782	CCCc1cc(=O)oc2cc(OCc3ccc(o3)C(=O)OC)ccc12	InChI=1S/C19H18O6/c1-3-4-12-9-18(20)25-17-10-13(5-7-15(12)17)23-11-14-6-8-16(24-14)19(21)22-2/h5-10H,3-4,11H2,1-2H3	C19H18O6	342.343	6	0	74.97	3	7	0	-0.3853	3.94097	2.89	3.974	48.9296	95.2565	2.4681	309.960481086835
Cond-007953	NPD7972	NPD7972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8979363468	COC(=O)c1ccc(COc2ccc3c4c(CCC4)c(=O)oc3c2)o1	InChI=1S/C19H16O6/c1-22-19(21)16-8-6-12(24-16)10-23-11-5-7-14-13-3-2-4-15(13)18(20)25-17(14)9-11/h5-9H,2-4,10H2,1H3	C19H16O6	340.327	6	0	74.97	4	5	0	-0.4631	3.69497	2.89	3.141	46.7513	93.1425	2.3595	297.604022386035
Cond-007954	NPD7973	NPD7973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.382257267	Cc1c2oc(=O)c3c(CCCC3)c2ccc1OCc1ccc(o1)C(=O)O	InChI=1S/C20H18O6/c1-11-16(24-10-12-6-8-17(25-12)19(21)22)9-7-14-13-4-2-3-5-15(13)20(23)26-18(11)14/h6-9H,2-5,10H2,1H3,(H,21,22)	C20H18O6	354.353	6	1	85.97	4	4	0	-0.360099999999999	3.99661	3	3.501	50.3959	98.1258	2.5004	314.900007011901
Cond-007955	NPD7974	NPD7974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6980508497	Cc1c2oc(=O)cc(c3ccccc3)c2ccc1OCc1ccc(o1)C(=O)O	InChI=1S/C22H16O6/c1-13-18(26-12-15-7-9-19(27-15)22(24)25)10-8-16-17(11-20(23)28-21(13)16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)	C22H16O6	376.359	6	1	85.97	4	5	1	0.18	3.918	3.22	5.9	35.9869	105.1968	2.6532	330.682600161235
Cond-007956	NPD7975	NPD7975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9353579514	Cc1c(COc2ccc3c(C)cc(=O)oc3c2)cc(o1)C(=O)O	InChI=1S/C17H14O6/c1-9-5-16(18)23-14-7-12(3-4-13(9)14)21-8-11-6-15(17(19)20)22-10(11)2/h3-7H,8H2,1-2H3,(H,19,20)	C17H14O6	314.289	6	1	85.97	3	4	0	0.6195	3.0176	2.67	2.732	41.7194	86.1228	2.1863	275.368511835101
Cond-007957	NPD7976	NPD7976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2102167747	Cc1c(COc2ccc3c(cc(=O)oc3c2C)c2ccccc2)cc(o1)C(=O)O	InChI=1S/C23H18O6/c1-13-19(27-12-16-10-20(23(25)26)28-14(16)2)9-8-17-18(11-21(24)29-22(13)17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)	C23H18O6	390.385	6	1	85.97	4	5	1	0.6195	3.94602	3.33	6.012	41.7194	108.8368	2.7941	347.978584787102
Cond-007958	NPD7977	NPD7977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4413303146	C[C@]12CCC3C(CCc4cc(OCc5c(F)cccc5)ccc34)C1CCC2=O	InChI=1S/C25H27FO2/c1-25-13-12-20-19-9-7-18(28-15-17-4-2-3-5-23(17)26)14-16(19)6-8-21(20)22(25)10-11-24(25)27/h2-5,7,9,14,20-22H,6,8,10-13,15H2,1H3/t20?,21?,22?,25-/m0/s1	C25H27FO2	378.479	2	0	26.3	5	3	1	0.897300000000001	5.72429000000001	3.88	7.003	58.2564	109.285	2.9222	362.566582189298
Cond-007959	NPD7978	NPD7978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7064824212	Cc1c(c2c(o1)cc1oc(=O)c3c(cccc3)c1c2)c1ccccc1	InChI=1S/C22H14O3/c1-13-21(14-7-3-2-4-8-14)18-11-17-15-9-5-6-10-16(15)22(23)25-19(17)12-20(18)24-13/h2-12H,1H3	C22H14O3	326.345	3	0	39.44	5	1	1	0.1943	5.8742	3.55	7.642	13.6433	104.964	2.3685	281.055461358751
Cond-007960	NPD798	NPD798	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8158613498	COc1c2OCOc2cc2c1C(N(C)CC2)c1nnnn1c1cccc(C)c1	InChI=1S/C20H21N5O3/c1-12-5-4-6-14(9-12)25-20(21-22-23-25)17-16-13(7-8-24(17)2)10-15-18(19(16)26-3)28-11-27-15/h4-6,9-10,17H,7-8,11H2,1-3H3	C20H21N5O3	379.412	8	0	74.01	5	3	0	0.632999999999999	3.5927	2.78	3.302	44.3446	105.561	2.7147	320.256669250252
Cond-007961	NPD7980	NPD7980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.093475941	Cc1cc(OCC(=O)N)c2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C18H15NO4/c1-11-7-14(22-10-16(19)20)18-13(12-5-3-2-4-6-12)9-17(21)23-15(18)8-11/h2-9H,10H2,1H3,(H2,19,20)	C18H15NO4	309.316	5	2	78.62	3	4	0	-0.2743	2.48139	2.89	4.258	34.4398	88.1694	2.2666	283.444344567212
Cond-007962	NPD7981	NPD7981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2448278554	COC(=O)c1ccc(COc2cc(O)c3c(=O)cc(oc3c2)c2ccccc2)cc1	InChI=1S/C24H18O6/c1-28-24(27)17-9-7-15(8-10-17)14-29-18-11-19(25)23-20(26)13-21(30-22(23)12-18)16-5-3-2-4-6-16/h2-13,25H,14H2,1H3	C24H18O6	402.396	6	1	82.06	4	6	1	-1.0952	4.69156	3.44	5.515	37.4206	115.2815	2.892	362.638110712168
Cond-007963	NPD7982	NPD7982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.613370807	COC(=O)c1ccc(COc2cc(OCc3ccc(cc3)C(=O)OC)c3c(=O)cc(oc3c2)c2ccccc2)cc1	InChI=1S/C33H26O8/c1-37-32(35)24-12-8-21(9-13-24)19-39-26-16-29(40-20-22-10-14-25(15-11-22)33(36)38-2)31-27(34)18-28(41-30(31)17-26)23-6-4-3-5-7-23/h3-18H,19-20H2,1-2H3	C33H26O8	550.555	8	0	97.36	5	11	2	-0.7662	6.14226000000001	4.21	7.867	53.1757	154.616	3.99690000000001	502.080132242092
Cond-007964	NPD7983	NPD7983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.9250787207	COc1ccc2c(oc(=O)cc2c2ccccc2)c1OC	InChI=1S/C17H14O4/c1-19-14-9-8-12-13(11-6-4-3-5-7-11)10-15(18)21-16(12)17(14)20-2/h3-10H,1-2H3	C17H14O4	282.291	4	0	44.76	3	3	0	-0.0291999999999998	3.60647	2.89	4.837	29.9467	82.944	2.0689	257.788058433978
Cond-007965	NPD7984	NPD7984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.78835194	Cc1cc(OC/C=C/c2ccccc2)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C22H20O3/c1-15-13-19(24-12-6-9-16-7-3-2-4-8-16)21-17-10-5-11-18(17)22(23)25-20(21)14-15/h2-4,6-9,13-14H,5,10-12H2,1H3/b9-6+	C22H20O3	332.392	3	0	35.53	4	4	1	0.7896	5.03258	3.55	6.943	48.9645	100.639	2.5631	320.484837461152
Cond-007966	NPD7985	NPD7985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.0855648372	CC(C)OC(=O)COc1ccc2c3c(CCC3)c(=O)oc2c1C	InChI=1S/C18H20O5/c1-10(2)22-16(19)9-21-15-8-7-13-12-5-4-6-14(12)18(20)23-17(13)11(15)3/h7-8,10H,4-6,9H2,1-3H3	C18H20O5	316.348	5	0	61.83	3	5	0	0.069499999999998	4.00899000000001	2.89	3.011	59.9827	89.78	2.3545	300.047187162007
Cond-007967	NPD7986	NPD7986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	57.0119967731	Cc1c(C)c2ccc(OC/C=C/c3ccccc3)c(C)c2oc1=O	InChI=1S/C21H20O3/c1-14-15(2)21(22)24-20-16(3)19(12-11-18(14)20)23-13-7-10-17-8-5-4-6-9-17/h4-12H,13H2,1-3H3/b10-7+	C21H20O3	320.382	3	0	35.53	3	4	1	2.2368	5.44398	3.44	6.713	47.3263	100.463	2.5308	315.545311536085
Cond-007968	NPD7987	NPD7987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9679912561	Cc1cc(COc2cc(O)c3c(=O)cc(oc3c2)c2ccccc2)c(C)cc1	InChI=1S/C24H20O4/c1-15-8-9-16(2)18(10-15)14-27-19-11-20(25)24-21(26)13-22(28-23(24)12-19)17-6-4-3-5-7-17/h3-13,25H,14H2,1-2H3	C24H20O4	372.413	4	1	55.76	4	4	1	0.177599999999999	4.59041	3.66	7.236	36.4364	108.8028	2.8176	347.694116011846
Cond-007969	NPD7988	NPD7988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4155932027	Oc1c2c(=O)cc(oc2cc(OC/C=C/c2ccccc2)c1)c1ccccc1	InChI=1S/C24H18O4/c25-20-14-19(27-13-7-10-17-8-3-1-4-9-17)15-23-24(20)21(26)16-22(28-23)18-11-5-2-6-12-18/h1-12,14-16,25H,13H2/b10-7+	C24H18O4	370.397	4	1	55.76	4	5	1	-0.6386	5.20436	3.66	7.989	35.7508	111.4138	2.7746	345.057657311046
Cond-007970	NPD7989	NPD7989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.0895203893	Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1	InChI=1S/C16H10O4/c17-12-7-6-11-8-13(16(19)20-14(11)9-12)15(18)10-4-2-1-3-5-10/h1-9,17H	C16H10O4	266.248	4	1	63.6	3	2	0	-0.543	3.12947	2.78	4.073	23.3008	76.7333	1.885	237.855615107312
Cond-007971	NPD799	NPD799	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7229952995	CCOc1c(O)c(Br)cc(CC2(CN3CC4CC(C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c1	InChI=1S/C27H31BrN4O5S/c1-4-37-21-10-16(9-19(28)23(21)34)11-27(24(35)29(2)26(38)30(3)25(27)36)15-31-12-17-8-18(14-31)20-6-5-7-22(33)32(20)13-17/h5-7,9-10,17-18,34H,4,8,11-15H2,1-3H3	C27H31BrN4O5S	603.528	9	1	125.72	5	6	0	0.199599999999999	2.61787	3.22	0.845	128.7538	150.9268	4.0141	504.868439158642
Cond-007972	NPD7990	NPD7990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.4871834908	Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C21H17ClO4/c1-12-9-18(25-11-17(23)13-5-7-14(22)8-6-13)20-15-3-2-4-16(15)21(24)26-19(20)10-12/h5-10H,2-4,11H2,1H3	C21H17ClO4	368.81	4	0	52.6	4	4	0	0.5889	5.03819	3.22	4.492	49.4573	102.0075	2.6033	327.190147306279
Cond-007973	NPD7992	NPD7992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.6226351263	O=c1oc2cc3c(cc2cc1)c1c(CCCC1)o3	InChI=1S/C15H12O3/c16-15-6-5-9-7-11-10-3-1-2-4-12(10)17-14(11)8-13(9)18-15/h5-8H,1-4H2	C15H12O3	240.254	3	0	39.44	4	0	0	-0.1421	3.72186	2.78	3.33	33.2947	73.93	1.7058	207.322321182484
Cond-007974	NPD7993	NPD7993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.4483566242	O=c1oc2cc3c(cc2c2c1cccc2)c1c(CCCC1)o3	InChI=1S/C19H14O3/c20-19-13-7-2-1-5-11(13)14-9-15-12-6-3-4-8-16(12)21-17(15)10-18(14)22-19/h1-2,5,7,9-10H,3-4,6,8H2	C19H14O3	290.313	3	0	39.44	5	0	1	-0.5032	4.95487	3.22	5.322	23.0512	91.38	2.0748	247.976883583551
Cond-007975	NPD7994	NPD7994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2996851172	Cc1c2oc(=O)c3c(cccc3)c2cc2c1oc1c2CCCC1	InChI=1S/C20H16O3/c1-11-18-16(13-7-4-5-9-17(13)22-18)10-15-12-6-2-3-8-14(12)20(21)23-19(11)15/h2-3,6,8,10H,4-5,7,9H2,1H3	C20H16O3	304.339	3	0	39.44	5	0	1	0.1388	4.98289	3.33	5.434	28.5533	95.02	2.2157	265.272868209418
Cond-007976	NPD7995	NPD7995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9603924324	CCc1cc(=O)oc2cc(C)c3c(C)coc3c12	InChI=1S/C15H14O3/c1-4-10-6-12(16)18-11-5-8(2)13-9(3)7-17-15(13)14(10)11/h5-7H,4H2,1-3H3	C15H14O3	242.27	3	0	39.44	3	1	0	1.5112	3.75321	2.78	3.095	38.2889	71.639	1.8144	219.678779883284
Cond-007977	NPD7996	NPD7996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1657688604	Fc1ccc(cc1)c1coc2c1cc1c(oc(=O)c3c1cccc3)c2	InChI=1S/C21H11FO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H	C21H11FO3	330.309	3	0	39.44	5	1	1	0.2345	6.00448	3.33	6.049	8.7833	98.853	2.2453	269.827035583191
Cond-007978	NPD7997	NPD7997	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0860072345	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc2c(cc1)c(C)cc(=O)o2	InChI=1S/C39H54O5/c1-24(2)8-7-9-25(3)32-14-15-33-31-12-10-27-21-29(16-18-38(27,5)34(31)17-19-39(32,33)6)43-37(41)23-42-28-11-13-30-26(4)20-36(40)44-35(30)22-28/h10-11,13,20,22,24-25,29,31-34H,7-9,12,14-19,21,23H2,1-6H3/t25-,29+,31+,32-,33+,34+,38+,39-/m1/s1	C39H54O5	602.843	5	0	61.83	6	10	1	2.2845	9.81906	5.2	12.833	145.9	178.120999999999	4.94460000000001	623.557029502006
Cond-007979	NPD7998	NPD7998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3927967315	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc2c(cc1)c(C)c(C)c(=O)o2	InChI=1S/C40H56O5/c1-24(2)9-8-10-25(3)33-15-16-34-32-13-11-28-21-30(17-19-39(28,6)35(32)18-20-40(33,34)7)44-37(41)23-43-29-12-14-31-26(4)27(5)38(42)45-36(31)22-29/h11-12,14,22,24-25,30,32-35H,8-10,13,15-21,23H2,1-7H3/t25-,30+,32+,33-,34+,35+,39+,40-/m1/s1	C40H56O5	616.87	5	0	61.83	6	10	1	2.8376	10.20916	5.31	13.014	150.2571	182.737999999999	5.08550000000001	640.853014127872
Cond-007980	NPD7999	NPD7999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0943086892	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc2c(cc1)c(C)c(Cc1ccccc1)c(=O)o2	InChI=1S/C46H60O5/c1-29(2)11-10-12-30(3)39-19-20-40-37-17-15-33-26-35(21-23-45(33,5)41(37)22-24-46(39,40)6)50-43(47)28-49-34-16-18-36-31(4)38(44(48)51-42(36)27-34)25-32-13-8-7-9-14-32/h7-9,13-16,18,27,29-30,35,37,39-41H,10-12,17,19-26,28H2,1-6H3/t30-,35+,37+,39-,40+,41+,45+,46-/m1/s1	C46H60O5	692.966	5	0	61.83	7	12	2	2.6518	11.43196	5.97	16.385	149.356	207.209999999999	5.69330000000001	713.46308707987
Cond-007981	NPD8	NPD8	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.685506943	[K+].[K+].[C@@H](CCC(=O)[O-])(NC(=O)C1=C(C)CS[C@H]2N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C(=O)[O-]	InChI=1S/C21H23N3O7S.2K/c1-11-10-32-20-16(23-14(25)9-12-5-3-2-4-6-12)19(29)24(20)17(11)18(28)22-13(21(30)31)7-8-15(26)27;;/h2-6,13,16,20H,7-10H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,30,31);;/q;2*+1/p-2/t13-,16+,20+;;/m0../s1	C21H21K2N3O7S	537.669	10	2	184.07	3	11	1	-3.0704	-3.20852	2.56	0.873999999999999	80.4746	112.0204	3.1855	410.46906431963
Cond-007982	NPD80	NPD80	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.550834098	COC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC(OC(=O)C)C(OC(=O)C)C(C1)OC(=O)C)OC(=O)C	InChI=1S/C25H31NO11/c1-14(27)34-20-12-25(37-17(4)30,13-21(35-15(2)28)22(20)36-16(3)29)24(32)26-19(23(31)33-5)11-18-9-7-6-8-10-18/h6-10,19-22H,11-13H2,1-5H3,(H,26,32)/t19-,20?,21?,22?,25?/m0/s1	C25H31NO11	521.514	12	1	160.6	2	15	2	-0.968000000000002	1.01159	2.89	3.407	95.8828	127.7287	3.7724	489.304282553008
Cond-007983	NPD800	NPD800	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.5732095923	COc1ccc(cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1	InChI=1S/C23H15BrO6/c1-27-15-8-6-14(7-9-15)23(26)29-16-10-11-17-20(12-16)28-13-21(22(17)25)30-19-5-3-2-4-18(19)24/h2-13H,1H3	C23H15BrO6	467.266	6	0	71.06	4	6	1	-0.3261	6.56935	3.22	6.559	39.6788	121.1405	2.9261	364.625745063868
Cond-007984	NPD8000	NPD8000	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8368855232	[C@@H]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1[C@H]2CC=C2C[C@H](CC[C@]12C)OC(=O)COc1cc2c(cc1Cl)c(cc(=O)o2)c1ccccc1	InChI=1S/C44H55ClO5/c1-27(2)10-9-11-28(3)35-16-17-36-32-15-14-30-22-31(18-20-43(30,4)37(32)19-21-44(35,36)5)49-42(47)26-48-40-25-39-34(23-38(40)45)33(24-41(46)50-39)29-12-7-6-8-13-29/h6-8,12-14,23-25,27-28,31-32,35-37H,9-11,15-22,26H2,1-5H3/t28-,31+,32+,35-,36+,37+,43+,44-/m1/s1	C44H55ClO5	699.357	5	0	61.83	7	11	2	2.3868	11.50086	5.64	16.097	146.0135	203.000999999999	5.53390000000001	694.082185598571
Cond-007985	NPD8001	NPD8001	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6599266141	COc1ccc(cc1)c1cc(=O)oc2c(C)c3c(cc12)c(co3)c1ccc(Cl)cc1	InChI=1S/C25H17ClO4/c1-14-24-21(22(13-29-24)16-3-7-17(26)8-4-16)11-20-19(12-23(27)30-25(14)20)15-5-9-18(28-2)10-6-15/h3-13H,1-2H3	C25H17ClO4	416.853	4	0	48.67	5	3	1	1.2548	6.74089	3.66	6.037	35.3677	121.134	2.9293	354.308251006546
Cond-007986	NPD8002	NPD8002	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.227522315	CCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)ccc12	InChI=1S/C21H22O4/c1-3-4-7-16-12-21(22)25-20-13-18(9-10-19(16)20)24-14-15-6-5-8-17(11-15)23-2/h5-6,8-13H,3-4,7,14H2,1-2H3	C21H22O4	338.397	4	0	44.76	3	7	1	-0.5822	4.97927	3.33	5.546	45.5495	100.391	2.6325	326.971996937446
Cond-007987	NPD8004	NPD8004	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5793322404	COc1ccc(COc2c(Cl)cc3c4c(CCC4)c(=O)oc3c2)cc1	InChI=1S/C20H17ClO4/c1-23-13-7-5-12(6-8-13)11-24-19-10-18-16(9-17(19)21)14-3-2-4-15(14)20(22)25-18/h5-10H,2-4,11H2,1H3	C20H17ClO4	356.8	4	0	44.76	4	4	0	0.3723	4.99657	3.11	4.24	46.0752	98.67	2.5054	312.530621381213
Cond-007988	NPD8005	NPD8005	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2677544435	COc1c(COc2ccc3c4c(CCC4)c(=O)oc3c2C)cccc1	InChI=1S/C21H20O4/c1-13-18(24-12-14-6-3-4-9-19(14)23-2)11-10-16-15-7-5-8-17(15)21(22)25-20(13)16/h3-4,6,9-11H,5,7-8,12H2,1-2H3	C21H20O4	336.381	4	0	44.76	4	4	0	0.27	5.48219	3.33	4.467	45.9617	101.954	2.5239	314.615538236646
Cond-007989	NPD8006	NPD8006	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9166471491	COc1cc2c(cc1)c1ccc(O)cc1oc2=O	InChI=1S/C14H10O4/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7,15H,1H3	C14H10O4	242.227	4	1	55.76	3	1	0	-0.6032	3.11798	2.56	2.447	16.1721	71.0198	1.6892	208.536563257178
Cond-007990	NPD8007	NPD8007	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5307986572	COc1cc2c(cc1)c1ccc(O)c(C)c1oc2=O	InChI=1S/C15H12O4/c1-8-13(16)6-5-11-10-4-3-9(18-2)7-12(10)15(17)19-14(8)11/h3-7,16H,1-2H3	C15H12O4	256.253	4	1	55.76	3	1	0	0.0387999999999999	3.5713	2.67	2.559	21.6742	77.345	1.8301	225.832547883045
Cond-007991	NPD8008	NPD8008	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4328987431	COc1ccc2c(oc(=O)c3c2ccc(OC)c3)c1	InChI=1S/C15H12O4/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19-15(16)13(11)7-9/h3-8H,1-2H3	C15H12O4	256.253	4	0	44.76	3	2	0	-0.1947	3.42098	2.67	2.966	20.9233	75.907	1.8301	225.832547883045
Cond-007992	NPD8009	NPD8009	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.084471856	COc1cc2c(cc1)c1ccc(OCC(=C)C)cc1oc2=O	InChI=1S/C18H16O4/c1-11(2)10-21-13-5-7-15-14-6-4-12(20-3)8-16(14)18(19)22-17(15)9-13/h4-9H,1,10H2,2-3H3	C18H16O4	296.317	4	0	44.76	3	4	0	0.8685	4.29347	3	3.432	34.368	89.394	2.2098	275.084043059845
Cond-007993	NPD801	NPD801	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6245435303	CC(C)N(Cc1c2occ(c(=O)c2ccc1O)c1ccc(Cl)cc1)C(C)C	InChI=1S/C22H24ClNO3/c1-13(2)24(14(3)4)11-18-20(25)10-9-17-21(26)19(12-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,12-14,25H,11H2,1-4H3	C22H24ClNO3	385.884	4	1	49.77	3	5	0	-0.2535	5.28228000000001	3.33	4.842	61.4863	111.8398	2.9369	361.685582841352
Cond-007994	NPD8010	NPD8010	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.4649595337	COc1cc2c(cc1)c1ccc(OCC=C(C)C)cc1oc2=O	InChI=1S/C19H18O4/c1-12(2)8-9-22-14-5-7-16-15-6-4-13(21-3)10-17(15)19(20)23-18(16)11-14/h4-8,10-11H,9H2,1-3H3	C19H18O4	310.344	4	0	44.76	3	4	0	1.2708	4.68357	3.11	4.167	40.0415	94.0110000000001	2.3507	292.380027685712
Cond-007995	NPD8011	NPD8011	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.570198038	COc1cc2c(cc1)c1ccc(OCC(=O)N)c(C)c1oc2=O	InChI=1S/C17H15NO5/c1-9-14(22-8-15(18)19)6-5-12-11-4-3-10(21-2)7-13(11)17(20)23-16(9)12/h3-7H,8H2,1-2H3,(H2,18,19)	C17H15NO5	313.305	6	2	87.85	3	4	0	-0.4916	2.86	2.67	1.732	32.7322	90.0114	2.2274	277.575045342706
Cond-007996	NPD8012	NPD8012	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0040075988	COc1cc2c(cc1)c1ccc(OCc3c(OC)cccc3)c(C)c1oc2=O	InChI=1S/C23H20O5/c1-14-20(27-13-15-6-4-5-7-21(15)26-3)11-10-18-17-9-8-16(25-2)12-19(17)23(24)28-22(14)18/h4-12H,13H2,1-3H3	C23H20O5	376.402	5	0	53.99	4	5	1	0.3048	5.7995	3.44	5.12	32.7567	114.219	2.7784	341.824816787341
Cond-007997	NPD8013	NPD8013	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3468134385	COc1cc2c(cc1)c1cc3c(occ3C)cc1oc2=O	InChI=1S/C17H12O4/c1-9-8-20-15-7-16-13(6-12(9)15)11-4-3-10(19-2)5-14(11)17(18)21-16/h3-8H,1-2H3	C17H12O4	280.275	4	0	48.67	4	1	0	0.345	4.1866	2.89	3.161	20.7287	82.767	1.9603	234.531599733178
Cond-007998	NPD8014	NPD8014	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7645926042	COc1cc2c(cc1)c1cc3c(oc(C)c3C)cc1oc2=O	InChI=1S/C18H14O4/c1-9-10(2)21-16-8-17-14(7-13(9)16)12-5-4-11(20-3)6-15(12)18(19)22-17/h4-8H,1-3H3	C18H14O4	294.301	4	0	48.67	4	1	0	0.7845	4.19542	3	3.658	26.4612	88.836	2.1012	251.827584359045
Cond-007999	NPD8016	NPD8016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0595601863	COc1ccc(cc1)c1cc(=O)oc2c(C)c(OCC(=O)N)ccc12	InChI=1S/C19H17NO5/c1-11-16(24-10-17(20)21)8-7-14-15(9-18(22)25-19(11)14)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H2,20,21)	C19H17NO5	339.342	6	2	87.85	3	5	0	-0.326100000000001	3.04549	2.89	2.548	41.7556	97.0484	2.4662	309.53055589364
Cond-008000	NPD8017	NPD8017	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0020537995	Cc1c2oc(=O)c3c(CCC3)c2ccc1OC(C(=O)O)c1ccccc1	InChI=1S/C21H18O5/c1-12-17(25-19(20(22)23)13-6-3-2-4-7-13)11-10-15-14-8-5-9-16(14)21(24)26-18(12)15/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,22,23)	C21H18O5	350.365	5	1	72.83	4	4	0	-0.0867000000000006	4.54219	3.22	4.818	44.4758	99.7258	2.5396	320.769306236407
Cond-008001	NPD8018	NPD8018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2150478385	COc1cccc(c1)c1coc2c1cc1c(oc(=O)c3c1ccc(OC)c3)c2	InChI=1S/C23H16O5/c1-25-14-5-3-4-13(8-14)20-12-27-21-11-22-17(10-18(20)21)16-7-6-15(26-2)9-19(16)23(24)28-22/h3-12H,1-2H3	C23H16O5	372.37	5	0	57.9	5	3	0	-0.3488	5.88258	3.44	4.78	22.5424	111.999	2.6268	315.931899385741
Cond-008002	NPD8019	NPD8019	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.447327556	CCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12	InChI=1S/C21H21ClO6/c1-5-13-8-20(23)28-16-10-17(15(22)9-14(13)16)27-11-12-6-18(24-2)21(26-4)19(7-12)25-3/h6-10H,5,11H2,1-4H3	C21H21ClO6	404.841	6	0	63.22	3	7	0	0.827699999999999	4.86967	3	3.616	59.5599	109.271	2.8723	359.763518109002
Cond-008003	NPD8020	NPD8020	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9619796624	CCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12	InChI=1S/C22H23ClO6/c1-5-6-14-9-21(24)29-17-11-18(16(23)10-15(14)17)28-12-13-7-19(25-2)22(27-4)20(8-13)26-3/h7-11H,5-6,12H2,1-4H3	C22H23ClO6	418.867	6	0	63.22	3	8	0	0.3465	5.25977	3.11	4.185	62.8851	113.888	3.0132	377.059502734869
Cond-008004	NPD8021	NPD8021	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.671442168	CCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12	InChI=1S/C23H25ClO6/c1-5-6-7-15-10-22(25)30-18-12-19(17(24)11-16(15)18)29-13-14-8-20(26-2)23(28-4)21(9-14)27-3/h8-12H,5-7,13H2,1-4H3	C23H25ClO6	432.894	6	0	63.22	3	9	0	0.0584999999999996	5.64987	3.22	4.754	65.7967	118.505	3.1541	394.355487360735
Cond-008005	NPD8022	NPD8022	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.359364825	CCCc1cc(=O)oc2cc(OC/C=C(\C)/CCC=C(C)C)c(Cl)cc12	InChI=1S/C22H27ClO3/c1-5-7-17-12-22(24)26-20-14-21(19(23)13-18(17)20)25-11-10-16(4)9-6-8-15(2)3/h8,10,12-14H,5-7,9,11H2,1-4H3/b16-10+	C22H27ClO3	374.901	3	0	35.53	2	8	1	3.2903	6.91835000000001	3.44	6.265	84.9582	111.591	2.9887	376.581740034785
Cond-008006	NPD8023	NPD8023	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5612382908	CC(=CCC/C(=C/COc1c(Cl)cc2c3c(CCC3)c(=O)oc2c1)/C)C	InChI=1S/C22H25ClO3/c1-14(2)6-4-7-15(3)10-11-25-21-13-20-18(12-19(21)23)16-8-5-9-17(16)22(24)26-20/h6,10,12-13H,4-5,7-9,11H2,1-3H3/b15-10+	C22H25ClO3	372.885	3	0	35.53	3	6	1	3.2125	6.67235000000001	3.44	5.432	82.7799	109.477	2.8801	364.225281333985
Cond-008007	NPD8024	NPD8024	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5667985774	COc1cc2c(cc1)c1ccc(OC/C=C(\C)/CCC=C(C)C)c(C)c1oc2=O	InChI=1S/C25H28O4/c1-16(2)7-6-8-17(3)13-14-28-23-12-11-21-20-10-9-19(27-5)15-22(20)25(26)29-24(21)18(23)4/h7,9-13,15H,6,8,14H2,1-5H3/b17-13+	C25H28O4	392.487	4	0	44.76	3	7	1	3.145	6.91978000000001	3.77	6.101	69.4614	122.699	3.1531	393.519476740113
Cond-008008	NPD8025	NPD8025	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.318188649	O=C(Oc1ccc2ccc(=O)oc2c1)c1ccco1	InChI=1S/C14H8O5/c15-13-6-4-9-3-5-10(8-12(9)19-13)18-14(16)11-2-1-7-17-11/h1-8H	C14H8O5	256.21	5	0	65.74	3	3	0	0.0248	2.98297	2.45	2.995	24.446	69.0195	1.7049	214.690331256939
Cond-008009	NPD8026	NPD8026	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2387917648	COc1ccc(cc1)c1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12	InChI=1S/C21H14O6/c1-24-14-6-4-13(5-7-14)17-12-20(22)27-19-11-15(8-9-16(17)19)26-21(23)18-3-2-10-25-18/h2-12H,1H3	C21H14O6	362.332	6	0	74.97	4	5	0	-0.2226	4.41007	3.11	4.726	30.5417	100.0585	2.5123	313.386615535368
Cond-008010	NPD8028	NPD8028	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.220608125	CCc1cc(=O)oc2c(CNC(Cc3ccccc3)C(=O)O)c(O)ccc12	InChI=1S/C21H21NO5/c1-2-14-11-19(24)27-20-15(14)8-9-18(23)16(20)12-22-17(21(25)26)10-13-6-4-3-5-7-13/h3-9,11,17,22-23H,2,10,12H2,1H3,(H,25,26)	C21H21NO5	367.395	6	3	95.86	3	7	0	-0.822299999999999	3.52787	3.11	4.963	51.6499	106.5905	2.748	344.122525145374
Cond-008011	NPD8029	NPD8029	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.7282973501	Cn1c(=O)cc2c3c(cccc3)c(=O)c3c2c1ccc3	InChI=1S/C17H11NO2/c1-18-14-8-4-7-12-16(14)13(9-15(18)19)10-5-2-3-6-11(10)17(12)20/h2-9H,1H3	C17H11NO2	261.275	3	0	37.38	4	0	0	-0.6308	2.69028	3	3.522	27.5076	78.9865	1.8997	236.211447839423
Cond-008012	NPD803	NPD803	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.8348574105	COc1cc(Cl)c(OC)cc1NC(=O)c1cc2c(oc1=O)cccc2	InChI=1S/C18H14ClNO5/c1-23-15-9-13(16(24-2)8-12(15)19)20-17(21)11-7-10-5-3-4-6-14(10)25-18(11)22/h3-9H,1-2H3,(H,20,21)	C18H14ClNO5	359.76	6	1	73.86	3	5	0	0.187000000000001	4.45036	2.67	3.569	43.0789	97.7247	2.4477	307.445639038207
Cond-008013	NPD8030	NPD8030	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.0503932275	Cn1c(=O)cc2c3c(cccc3)c(=O)c3c2c1ccc3Br	InChI=1S/C17H10BrNO2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,1H3	C17H10BrNO2	340.171	3	0	37.38	4	0	0	0.258	3.45278	2.89	3.956	36.1067	86.6865000000001	2.0747	255.49506681699
Cond-008014	NPD8031	NPD8031	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.0596603717	Cn1c(=O)c(NC2CCCCC2)c2c3c(cccc3)c(=O)c3c2c1ccc3Br	InChI=1S/C23H21BrN2O2/c1-26-17-12-11-16(24)19-20(17)18(14-9-5-6-10-15(14)22(19)27)21(23(26)28)25-13-7-3-2-4-8-13/h5-6,9-13,25H,2-4,7-8H2,1H3	C23H21BrN2O2	437.329	4	1	49.41	5	2	1	-1.9929	4.96437000000001	3.44	6.184	56.7654	115.8407	2.9113	357.911276079558
Cond-008015	NPD8032	NPD8032	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.5320342634	Cn1c(=O)c(NC2CCCCC2)c2c3c(cccc3)c(=O)c3c2c1ccc3	InChI=1S/C23H22N2O2/c1-25-18-13-7-12-17-19(18)20(15-10-5-6-11-16(15)22(17)26)21(23(25)27)24-14-8-3-2-4-9-14/h5-7,10-14,24H,2-4,8-9H2,1H3	C23H22N2O2	358.433	4	1	49.41	5	2	1	-2.8817	4.20187	3.55	5.75	48.1663	108.1407	2.7363	338.627657101991
Cond-008016	NPD8033	NPD8033	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.3631217753	CCOc1cccc(=O)c2c(C)[nH]c(C)c12	InChI=1S/C13H15NO2/c1-4-16-11-7-5-6-10(15)12-8(2)14-9(3)13(11)12/h5-7,14H,4H2,1-3H3	C13H15NO2	217.264	3	1	42.09	2	2	0	0.7755	1.94522	2.56	1.839	51.6104	64.841	1.7253	213.186261540756
Cond-008017	NPD8034	NPD8034	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	39.422932425	COc1ccc(cc1)/N=c\1/cc(oc2ccc(O)cc12)c1ccc(OC)cc1	InChI=1S/C23H19NO4/c1-26-18-8-3-15(4-9-18)23-14-21(20-13-17(25)7-12-22(20)28-23)24-16-5-10-19(27-2)11-6-16/h3-14,25H,1-2H3/b24-21-	C23H19NO4	373.401	5	1	60.28	4	4	1	-0.9093	5.55006	3.44	5.314	34.9896	113.13	2.7765	341.394891594146
Cond-008018	NPD8035	NPD8035	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.4711716676	CCOc1cc(cc(=O)c2c(C)oc(C)c12)c1ccc(SC)cc1	InChI=1S/C20H20O3S/c1-5-22-18-11-15(14-6-8-16(24-4)9-7-14)10-17(21)19-12(2)23-13(3)20(18)19/h6-11H,5H2,1-4H3	C20H20O3S	340.436	3	0	64.74	3	4	0	1.5391	4.35332	3.22	4.907	62.1996	99.714	2.5964	319.394809668618
Cond-008019	NPD8036	NPD8036	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.6970896158	CSc1ccc(cc1)c1cc(=O)c2c(C)oc(C)c2c(O)c1	InChI=1S/C18H16O3S/c1-10-17-15(19)8-13(9-16(20)18(17)11(2)21-10)12-4-6-14(22-3)7-5-12/h4-9,19H,1-3H3	C18H16O3S	312.383	3	1	75.74	3	2	0	1.2242	3.87482	3	4.163	52.8678	90.7168	2.3146	284.802840416884
Cond-008020	NPD8037	NPD8037	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.9408906477	COc1cc2c(cc1OC)C(OC(=O)C2)C(Cl)(Cl)Cl	InChI=1S/C12H11Cl3O4/c1-17-8-3-6-4-10(16)19-11(12(13,14)15)7(6)5-9(8)18-2/h3,5,11H,4H2,1-2H3	C12H11Cl3O4	325.572	4	0	44.76	2	3	0	1.4779	3.10719	2.01	2.81	49.8094	74.838	2.0122	250.743632119945
Cond-008021	NPD8038	NPD8038	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3237990282	COc1ccc(cc1)C1=Cc2c(cc(OC)c(OC)c2)C(O1)C(Cl)(Cl)Cl	InChI=1S/C19H17Cl3O4/c1-23-13-6-4-11(5-7-13)15-8-12-9-16(24-2)17(25-3)10-14(12)18(26-15)19(20,21)22/h4-10,18H,1-3H3	C19H17Cl3O4	415.695	4	0	36.92	3	5	1	1.3493	5.57479	2.78	5.619	57.5497	104.222	2.7609	340.649689697813
Cond-008022	NPD804	NPD804	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.29967218	CC(C)CN(CC(C)C)Cc1c2occ(c(=O)c2ccc1O)c1ccccc1	InChI=1S/C24H29NO3/c1-16(2)12-25(13-17(3)4)14-20-22(26)11-10-19-23(27)21(15-28-24(19)20)18-8-6-5-7-9-18/h5-11,15-17,26H,12-14H2,1-4H3	C24H29NO3	379.492	4	1	49.77	3	7	1	0.0667999999999997	5.12408000000001	3.66	6.191	63.4401	115.9678	3.0963	381.066484322652
Cond-008023	NPD8040	NPD8040	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0191354005	COc1cc2c(CC(=O)c3c(C2)cc(OC)c(OC)c3)cc1OC	InChI=1S/C19H20O5/c1-21-16-7-11-5-13-9-18(23-3)19(24-4)10-14(13)15(20)6-12(11)8-17(16)22-2/h7-10H,5-6H2,1-4H3	C19H20O5	328.359	5	0	53.99	3	4	0	0.019999999999998	2.8861	3	2.364	43.7594	92.1990000000001	2.4524	303.806713087073
Cond-008024	NPD8041	NPD8041	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4688674047	COc1cc2c(cc1OC)C1=C(OC2c2ccc(Cl)cc2)c2c(cccc2)C1=O	InChI=1S/C24H17ClO4/c1-27-19-11-17-18(12-20(19)28-2)23(13-7-9-14(25)10-8-13)29-24-16-6-4-3-5-15(16)22(26)21(17)24/h3-12,23H,1-2H3	C24H17ClO4	404.842	4	0	44.76	5	3	1	-0.00219999999999942	4.91509	3.55	5.839	39.0364	111.241	2.8314	350.548725081479
Cond-008025	NPD8042	NPD8042	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7111656565	O=C(Oc1cccccc1=O)c1ccccc1	InChI=1S/C14H10O3/c15-12-9-5-2-6-10-13(12)17-14(16)11-7-3-1-4-8-11/h1-10H	C14H10O3	226.227	3	0	43.37	2	3	0	0.495	2.16936	2.67	3.497	41.8461	65.439	1.6961	220.366336556617
Cond-008026	NPD8043	NPD8043	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.7999298703	Cc1ccc(cc1)/N=N/c1ccc(O)c(=O)cc1	InChI=1S/C14H12N2O2/c1-10-2-4-11(5-3-10)15-16-12-6-8-13(17)14(18)9-7-12/h2-9H,1H3,(H,17,18)/b16-15+	C14H12N2O2	240.257	4	1	62.02	2	2	0	0.665	3.17317	2.56	4.524	42.662	70.7878	1.837	233.569630272389
Cond-008027	NPD8044	NPD8044	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8269298202	Oc1c(Br)cc(Br)cc(Br)c1=O	InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(11)7(12)5(10)2-3/h1-2H,(H,11,12)	C7H3Br3O2	358.81	2	1	37.3	1	0	0	1.9346	3.30366	1.68	3.037	60.5099	60.0418	1.4567	182.157367911689
Cond-008028	NPD8045	NPD8045	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.140109202	COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC21C(=O)CC(C)(C)CC2=O	InChI=1S/C24H28O5/c1-22(2)10-16(25)20-17(11-22)29-24(18(26)12-23(3,4)13-19(24)27)21(20)14-6-8-15(28-5)9-7-14/h6-9,21H,10-13H2,1-5H3	C24H28O5	396.476	5	0	69.67	4	2	0	0.795699999999998	4.30928000000001	3.55	3.29	85.078	110.601	3.0483	388.830177515608
Cond-008029	NPD8046	NPD8046	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5720082152	COc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)OC21C(=O)CC(C)(C)CC2=O	InChI=1S/C25H30O6/c1-23(2)10-15(26)21-18(11-23)31-25(19(27)12-24(3,4)13-20(25)28)22(21)14-7-8-16(29-5)17(9-14)30-6/h7-9,22H,10-13H2,1-6H3	C25H30O6	426.502	6	0	78.9	4	3	0	0.743899999999999	4.31788000000001	3.55	2.846	92.3938	117.153	3.2479	414.916388842036
Cond-008030	NPD8047	NPD8047	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6476982417	Cn1c(=O)n(C)c2c(cnc(n2)N2CCCCC2)c1=O	InChI=1S/C13H17N5O2/c1-16-10-9(11(19)17(2)13(16)20)8-14-12(15-10)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3	C13H17N5O2	275.306	7	0	69.64	3	1	0	-1.3742	1.48228	2.12	0.284	47.3347	78.051	2.0159	244.816843672623
Cond-008031	NPD8048	NPD8048	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.9840204378	CCOc1cccc(=O)c2c(C)n(Cc3ccccc3)c(C)c12	InChI=1S/C20H21NO2/c1-4-23-18-12-8-11-17(22)19-14(2)21(15(3)20(18)19)13-16-9-6-5-7-10-16/h5-12H,4,13H2,1-3H3	C20H21NO2	307.386	3	0	31.23	3	4	0	1.2207	3.81593	3.33	4.986	55.9206	92.837	2.474	303.092319118624
Cond-008032	NPD8049	NPD8049	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.192556229	CCOc1cccc(=O)c2c(C)n(c(C)c12)c1ccc(OC)cc1	InChI=1S/C20H21NO3/c1-5-24-18-8-6-7-17(22)19-13(2)21(14(3)20(18)19)15-9-11-16(23-4)12-10-15/h6-12H,5H2,1-4H3	C20H21NO3	323.386	4	0	39.94	3	4	0	1.1573	3.92252	3.22	3.966	58.5242	96.379	2.5327	311.882545819185
Cond-008033	NPD805	NPD805	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4249994185	CCN(Cc1c2occ(c(=O)c2ccc1O)c1c(OC)cccc1)C1CCCCC1	InChI=1S/C25H29NO4/c1-3-26(17-9-5-4-6-10-17)15-20-22(27)14-13-19-24(28)21(16-30-25(19)20)18-11-7-8-12-23(18)29-2/h7-8,11-14,16-17,27H,3-6,9-10,15H2,1-2H3	C25H29NO4	407.502	5	1	59	4	6	0	-2.2917	5.17328000000001	3.66	4.998	60.7423	120.5238	3.1873	394.79623694828
Cond-008034	NPD8050	NPD8050	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5200621149	CC1CCC2C(C1)c1c(OC2(C)C)n(C)c(=O)n(C)c1=O	InChI=1S/C16H24N2O3/c1-9-6-7-11-10(8-9)12-13(19)17(4)15(20)18(5)14(12)21-16(11,2)3/h9-11H,6-8H2,1-5H3	C16H24N2O3	292.373	5	0	49.85	3	0	0	0.541499999999998	2.74308	2.67	2.959	77.4839	81.087	2.2839	288.677661027884
Cond-008035	NPD8052	NPD8052	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8473175374	COC(=O)C1C2CC(C)CCC2C(C)(C)OC1=O	InChI=1S/C14H22O4/c1-8-5-6-10-9(7-8)11(12(15)17-4)13(16)18-14(10,2)3/h8-11H,5-7H2,1-4H3	C14H22O4	254.322	4	0	52.6	2	2	0	0.464299999999999	2.39729	2.56	3.048	63.5796	68.915	2.0128	255.875315461978
Cond-008036	NPD8053	NPD8053	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0291539348	O=c1n2CCCCNc2nc2c1cccc2	InChI=1S/C12H13N3O/c16-11-9-5-1-2-6-10(9)14-12-13-7-3-4-8-15(11)12/h1-2,5-6H,3-4,7-8H2,(H,13,14)	C12H13N3O	215.251	4	1	44.7	3	0	0	-1.1458	1.37938	2.34	2.367	31.3888	65.6467	1.6167	196.737111929861
Cond-008037	NPD8054	NPD8054	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.1965135501	Nc1ncnc2c1cnn2Cc1ccccc1	InChI=1S/C12H11N5/c13-11-10-6-16-17(12(10)15-8-14-11)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,13,14,15)	C12H11N5	225.249	5	2	69.62	3	2	0	-0.7251	2.53948	2.23	2.165	11.8323	67.6474	1.6716	182.867488244034
Cond-008038	NPD8055	NPD8055	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.5368932525	COc1ccc(/C=C/c2nc(=O)c3c(o2)cccc3)cc1	InChI=1S/C17H13NO3/c1-20-13-9-6-12(7-10-13)8-11-16-18-17(19)14-4-2-3-5-15(14)21-16/h2-11H,1H3/b11-8+	C17H13NO3	279.29	4	0	47.89	3	3	0	-0.3933	3.52386	2.89	4.904	29.8496	85.699	2.067	257.358133240784
Cond-008039	NPD8056	NPD8056	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.4781846416	COc1cc(/C=C/c2nc(=O)c3c(o2)cccc3)ccc1O	InChI=1S/C17H13NO4/c1-21-15-10-11(6-8-13(15)19)7-9-16-18-17(20)12-4-2-3-5-14(12)22-16/h2-10,19H,1H3/b9-7+	C17H13NO4	295.289	5	1	68.12	3	3	0	-0.8536	3.22946	2.78	3.73	32.4142	87.3638	2.1257	266.148359941345
Cond-008040	NPD8057	NPD8057	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.0889144918	COc1ccc(cc1)c1nc(=O)c2c(o1)cccc2	InChI=1S/C15H11NO3/c1-18-11-8-6-10(7-9-11)15-16-14(17)12-4-2-3-5-13(12)19-15/h2-9H,1H3	C15H11NO3	253.253	4	0	47.89	3	2	0	-0.7544	3.04147	2.67	4.088	19.6061	76.829	1.8282	225.40262268985
Cond-008041	NPD8058	NPD8058	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.3939287682	COc1c(OC)cc(cc1)C1=C(CN(C)C)C(c2ccccc2)c2c(O1)cccc2	InChI=1S/C26H27NO3/c1-27(2)17-21-25(18-10-6-5-7-11-18)20-12-8-9-13-22(20)30-26(21)19-14-15-23(28-3)24(16-19)29-4/h5-16,25H,17H2,1-4H3	C26H27NO3	401.497	4	0	30.93	4	6	1	-0.136899999999999	5.55709000000001	3.88	7.237	47.328	120.713	3.1835	387.129077471986
Cond-008042	NPD8059	NPD8059	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.0722336322	COc1c(OC)cc(cc1)C1=CC(c2ccccc2)c2c(O1)cccc2	InChI=1S/C23H20O3/c1-24-21-13-12-17(14-23(21)25-2)22-15-19(16-8-4-3-5-9-16)18-10-6-7-11-20(18)26-22/h3-15,19H,1-2H3	C23H20O3	344.403	3	0	27.69	4	4	1	-0.238200000000001	5.62529	3.66	7.861	29.6213	103.216	2.661	324.244363386219
Cond-008043	NPD806	NPD806	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	42.9017308238	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCCC1(CCOC(C)(C)C1)c1ccccc1	InChI=1S/C38H53NO5/c1-35(2)25-38(21-23-43-35,26-8-6-5-7-9-26)20-22-39-33(41)14-15-34(42)44-32-13-12-30-29-11-10-27-24-28(40)16-18-36(27,3)31(29)17-19-37(30,32)4/h5-9,24,29-32H,10-23,25H2,1-4H3,(H,39,41)/t29?,30?,31?,32?,36-,37-,38?/m0/s1	C38H53NO5	603.831	6	1	81.7	6	10	1	0.991300000000004	7.40368000000001	4.98	8.831	143.2953	173.8087	4.9035	617.257805084306
Cond-008044	NPD8060	NPD8060	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	45.293793518	On1c(=O)c2c(cccc2)nc1c1ccccc1	InChI=1S/C14H10N2O2/c17-14-11-8-4-5-9-12(11)15-13(16(14)18)10-6-2-1-3-7-10/h1-9,18H	C14H10N2O2	238.241	4	1	52.9	3	1	0	-1.0604	2.47598	2.56	4.448	16.2047	70.8735	1.7284	210.313171571589
Cond-008045	NPD8061	NPD8061	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6759004158	COc1ccc(cc1)C(O)c1nccn1Cc1ccccc1	InChI=1S/C18H18N2O2/c1-22-16-9-7-15(8-10-16)17(21)18-19-11-12-20(18)13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3	C18H18N2O2	294.348	4	1	47.28	3	5	0	-0.5377	3.3961	3	4.306	20.8885	84.7148000000001	2.292	268.597110075057
Cond-008046	NPD8062	NPD8062	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.9404899063	COc1cc(OC)cc(c1)C(=O)Nc1cc2c(cc1OC)c1c(o2)cccc1	InChI=1S/C22H19NO5/c1-25-14-8-13(9-15(10-14)26-2)22(24)23-18-12-20-17(11-21(18)27-3)16-6-4-5-7-19(16)28-20/h4-12H,1-3H3,(H,23,24)	C22H19NO5	377.39	6	1	69.93	4	6	0	-0.9443	5.35867	3.22	4.09	31.008	113.1987	2.7373	324.625592369641
Cond-008047	NPD8064	NPD8064	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.6388318389	COc1ccc(CC(=O)N/N=C(\C)/CC(=O)Nc2c(OC)cc3c(oc4c3cccc4)c2)cc1	InChI=1S/C26H25N3O5/c1-16(28-29-26(31)13-17-8-10-18(32-2)11-9-17)12-25(30)27-21-15-23-20(14-24(21)33-3)19-6-4-5-7-22(19)34-23/h4-11,14-15H,12-13H2,1-3H3,(H,27,30)(H,29,31)/b28-16+	C26H25N3O5	459.494	8	2	102.16	4	10	0	-1.5534	5.32436	3.44	4.551	52.2596	137.9324	3.4145	410.530133887841
Cond-008048	NPD8065	NPD8065	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7879577218	CC(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)C(=O)O	InChI=1S/C18H18N2O4/c1-11(2)16(21)20-15-6-4-3-5-14(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)	C18H18N2O4	326.347	6	3	95.5	2	7	0	-0.7751	3.19999	2.78	3.824	37.1889	94.2857	2.475	306.797563476179
Cond-008049	NPD8066	NPD8066	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.35645945	OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	InChI=1S/C23H18N2O4/c26-21(15-10-16-6-2-1-3-7-16)25-20-9-5-4-8-19(20)22(27)24-18-13-11-17(12-14-18)23(28)29/h1-15H,(H,24,27)(H,25,26)(H,28,29)/b15-10+	C23H18N2O4	386.4	6	3	95.5	3	8	1	-1.1483	4.07468	3.33	7.262	32.3458	113.8617	2.8989	359.475193101513
Cond-008050	NPD8067	NPD8067	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8161598958	COc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)O)cc1	InChI=1S/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)	C16H15NO5	301.294	6	3	95.86	2	6	0	-1.3519	2.24859	2.56	2.406	29.0904	83.4153	2.1951	272.635519417639
Cond-008051	NPD8068	NPD8068	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2777638631	OC(=O)c1cc(O)ccc1NC(=O)/C=C/c1ccco1	InChI=1S/C14H11NO5/c16-9-3-5-12(11(8-9)14(18)19)15-13(17)6-4-10-2-1-7-20-10/h1-8,16H,(H,15,17)(H,18,19)/b6-4+	C14H11NO5	273.241	6	3	99.77	2	5	0	-1.1279	2.12098	2.34	2.073	29.088	73.3973	1.9133	238.043550165906
Cond-008052	NPD8069	NPD8069	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.814306467	CC(C)C(=O)Nc1c(cc(O)cc1)C(=O)O	InChI=1S/C11H13NO4/c1-6(2)10(14)12-9-4-3-7(13)5-8(9)11(15)16/h3-6,13H,1-2H3,(H,12,14)(H,15,16)	C11H13NO4	223.225	5	3	86.63	1	4	0	-0.6006	1.65329	2.12	1.291	32.312	61.5553	1.6695	208.531204390945
Cond-008053	NPD807	NPD807	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8202498081	Nc1cc(ccc1)C(=O)CC1(O)C(=O)Nc2c1cc(Br)cc2	InChI=1S/C16H13BrN2O3/c17-10-4-5-13-12(7-10)16(22,15(21)19-13)8-14(20)9-2-1-3-11(18)6-9/h1-7,22H,8,18H2,(H,19,21)	C16H13BrN2O3	361.19	5	4	92.42	3	3	0	-1.4701	2.99159	2.56	2.883	35.0255	89.4444	2.2439	272.978986501451
Cond-008054	NPD8070	NPD8070	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.9445474127	COc1ccc(OCC(=O)Nc2cc(NC(=O)COc3ccc(OC)cc3)cc(c2)C(=O)O)cc1	InChI=1S/C25H24N2O8/c1-32-19-3-7-21(8-4-19)34-14-23(28)26-17-11-16(25(30)31)12-18(13-17)27-24(29)15-35-22-9-5-20(33-2)6-10-22/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)	C25H24N2O8	480.467	10	3	132.42	3	13	1	-2.3248	4.40697	3.11	3.265	49.0961	134.7822	3.4585	431.864527856291
Cond-008055	NPD8071	NPD8071	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.7486850674	CC(=O)Oc1ccc2nc(oc(=O)c2c1)c1ccco1	InChI=1S/C14H9NO5/c1-8(16)19-9-4-5-11-10(7-9)14(17)20-13(15-11)12-3-2-6-18-12/h2-7H,1H3	C14H9NO5	271.225	6	0	78.1	3	3	0	-0.2917	2.31968	2.34	2.637	25.8255	71.908	1.8047	225.687091465106
Cond-008056	NPD8072	NPD8072	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.730451335	COc1cc2c(cc1OC)c(=O)oc(n2)c1cc2c(cc1)C(=O)N(CCC(C)C)C2=O	InChI=1S/C23H22N2O6/c1-12(2)7-8-25-21(26)14-6-5-13(9-15(14)22(25)27)20-24-17-11-19(30-4)18(29-3)10-16(17)23(28)31-20/h5-6,9-12H,7-8H2,1-4H3	C23H22N2O6	422.431	8	0	94.5	4	6	0	-0.6218	3.46068	3.11	3.576	61.3965	116.259	3.0367	383.508563904235
Cond-008057	NPD8073	NPD8073	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0903671793	CCOC(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2c1cc(OC)c(OC)c2	InChI=1S/C23H26N2O6/c1-6-31-23(26)25-17-13-22(30-5)20(28-3)11-15(17)9-18-16-12-21(29-4)19(27-2)10-14(16)7-8-24-18/h7-8,10-13H,6,9H2,1-5H3,(H,25,26)	C23H26N2O6	426.462	8	1	88.14	3	10	0	0.382700000000002	4.89878	3.11	3.203	52.8011	121.2267	3.1883	387.601481305836
Cond-008058	NPD8074	NPD8074	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.7301006863	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)C(c1ccccc1)c1ccccc1)ncc2	InChI=1S/C34H32N2O5/c1-38-29-18-24-15-16-35-28(26(24)20-31(29)40-3)17-25-19-30(39-2)32(41-4)21-27(25)36-34(37)33(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,18-21,33H,17H2,1-4H3,(H,36,37)	C34H32N2O5	548.628	7	1	78.91	5	11	2	-0.6655	7.72018	4.43	8.969	45.0809	163.4007	4.20430000000001	506.735415883409
Cond-008059	NPD8076	NPD8076	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9571707659	COc1ccc(cc1)C(=O)CC(C(C)C)C(C=C(C)C)C(=O)c1ccc(OC)cc1	InChI=1S/C26H32O4/c1-17(2)15-24(26(28)20-9-13-22(30-6)14-10-20)23(18(3)4)16-25(27)19-7-11-21(29-5)12-8-19/h7-15,18,23-24H,16H2,1-6H3	C26H32O4	408.53	4	0	52.6	2	10	1	1.0819	5.90868000000001	3.88	6.293	70.6677	123.2665	3.4026	423.17192006678
Cond-008060	NPD8077	NPD8077	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7460301558	COc1c(OC)cc(cc1)c1nc(NC(=O)C)c2c(=O)oc3c(cccc3)c2n1	InChI=1S/C21H17N3O5/c1-11(25)22-20-17-18(13-6-4-5-7-14(13)29-21(17)26)23-19(24-20)12-8-9-15(27-2)16(10-12)28-3/h4-10H,1-3H3,(H,22,23,24,25)	C21H17N3O5	391.377	8	1	99.64	4	5	0	-0.819600000000001	4.69516	2.89	3.365	33.7892	114.2027	2.753	337.586669459307
Cond-008061	NPD8078	NPD8078	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4180233432	OC(=O)C1CN(C(=O)C1)c1c(O)cccc1	InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)	C11H11NO4	221.209	5	2	77.84	2	2	0	-1.4332	1.59068	2.12	0.251	30.1084	59.8696	1.5609	196.174745690145
Cond-008062	NPD8079	NPD8079	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.8284326003	COC(=O)c1c(NC(=O)C2c3ccccc3Oc3c2cccc3)cccc1	InChI=1S/C22H17NO4/c1-26-22(25)14-8-2-5-11-17(14)23-21(24)20-15-9-3-6-12-18(15)27-19-13-7-4-10-16(19)20/h2-13,20H,1H3,(H,23,24)	C22H17NO4	359.375	5	1	64.63	4	5	1	-0.9224	4.85669	3.33	6.004	24.6706	105.6337	2.6356	324.098906968279
Cond-008063	NPD808	NPD808	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5736309468	COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C37H44N2O9/c1-35-14-12-23(40)17-22(35)8-9-25-26-13-15-37(46,36(26,2)18-29(41)33(25)35)30(42)20-48-32(44)11-10-31(43)39-28(34(45)47-3)16-21-19-38-27-7-5-4-6-24(21)27/h4-7,12,14,17,19,25-26,28-29,33,38,41,46H,8-11,13,15-16,18,20H2,1-3H3,(H,39,43)/t25?,26?,28?,29?,33?,35-,36-,37+/m0/s1	C37H44N2O9	660.753	11	4	172.09	6	13	2	-1.5576	3.28006000000001	4.32	2.585	140.9392	178.2813	4.92520000000001	624.67365266565
Cond-008064	NPD8080	NPD8080	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3898211692	CN(C)CCCNC(=O)C1c2ccccc2Oc2c1cccc2	InChI=1S/C19H22N2O2/c1-21(2)13-7-12-20-19(22)18-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)18/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,20,22)	C19H22N2O2	310.39	4	1	41.57	3	6	0	-0.980599999999999	3.76479	3.11	3.685	39.3096	95.6247	2.4759	299.429553401724
Cond-008065	NPD8081	NPD8081	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.4462255172	Cn1c2c(n(CC(=O)NCc3cc4c(OCO4)cc3)cn2)c(=O)n(C)c1=O	InChI=1S/C17H17N5O5/c1-20-15-14(16(24)21(2)17(20)25)22(8-19-15)7-13(23)18-6-10-3-4-11-12(5-10)27-9-26-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,23)	C17H17N5O5	371.347	10	1	106	4	5	0	-1.6611	1.10487	2.23	-0.139	53.3633	97.8987	2.518	309.205627474574
Cond-008066	NPD8082	NPD8082	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6803586635	COCC(C)NC(=O)C1c2c(Oc3c1cccc3)cccc2	InChI=1S/C18H19NO3/c1-12(11-21-2)19-18(20)17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10,12,17H,11H2,1-2H3,(H,19,20)	C18H19NO3	297.348	4	1	47.56	3	5	0	-0.9729	3.84799	3	3.744	34.0068	88.9247	2.2939	279.927035268251
Cond-008067	NPD8083	NPD8083	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1501277363	CCCC1(CCC)C(=O)NC(=O)N/C/1=N\CCc1ccc(OC)c(OC)c1	InChI=1S/C20H29N3O4/c1-5-10-20(11-6-2)17(22-19(25)23-18(20)24)21-12-9-14-7-8-15(26-3)16(13-14)27-4/h7-8,13H,5-6,9-12H2,1-4H3,(H2,21,22,23,24,25)	C20H29N3O4	375.462	7	2	89.02	2	9	0	-1.4955	2.66879	2.89	3.524	74.6634	107.3294	2.9856	371.19566903848
Cond-008068	NPD8084	NPD8084	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.05550268	CC1(C)CC(=O)c2c(C1)nc1ccccc1c2N	InChI=1S/C15H16N2O/c1-15(2)7-11-13(12(18)8-15)14(16)9-5-3-4-6-10(9)17-11/h3-6H,7-8H2,1-2H3,(H2,16,17)	C15H16N2O	240.3	3	2	55.98	3	0	0	0.2565	3.34568	2.78	3.024	32.4966	76.6504	1.8966	224.091846898495
Cond-008069	NPD8085	NPD8085	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	77.2929920353	CC1(C)Cc2c(C=C1)c(N)c1ccccc1n2	InChI=1S/C15H16N2/c1-15(2)8-7-11-13(9-15)17-12-6-4-3-5-10(12)14(11)16/h3-8H,9H2,1-2H3,(H2,16,17)	C15H16N2	224.301	2	2	38.91	3	0	0	0.953300000000001	3.63498	2.89	3.96	32.92	72.6534	1.8379	215.301620197934
Cond-008070	NPD8086	NPD8086	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2295246205	CN1CCCCc2c1nc1ccccc1c2N	InChI=1S/C14H17N3/c1-17-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(11)17/h2-3,6,8H,4-5,7,9H2,1H3,(H2,15,16)	C14H17N3	227.305	3	2	42.15	3	0	0	-1.1364	2.99469	2.67	2.65	28.2176	73.4044	1.8398	211.638854481034
Cond-008071	NPD8088	NPD8088	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3935280268	CCCCC(=O)Nc1c2ccccc2nc(CCCC)c1CCC	InChI=1S/C21H30N2O/c1-4-7-13-18-16(11-6-3)21(23-20(24)15-8-5-2)17-12-9-10-14-19(17)22-18/h9-10,12,14H,4-8,11,13,15H2,1-3H3,(H,22,23,24)	C21H30N2O	326.476	3	1	41.99	2	10	1	-1.5681	6.89777000000001	3.44	6.908	53.562	107.0317	2.8506	340.224213354497
Cond-008072	NPD8089	NPD8089	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.3879677403	COc1ccc(/C=C/C(=O)Nc2c3ccccc3nc3c2CCN3Cc2ccccc2)cc1OC	InChI=1S/C29H27N3O3/c1-34-25-14-12-20(18-26(25)35-2)13-15-27(33)31-28-22-10-6-7-11-24(22)30-29-23(28)16-17-32(29)19-21-8-4-3-5-9-21/h3-15,18H,16-17,19H2,1-2H3,(H,30,31,33)/b15-13+	C29H27N3O3	465.543	6	1	63.69	5	8	1	-0.0853000000000003	6.18356000000001	3.99	6.948	49.0908	142.8577	3.5682	429.844716962719
Cond-008073	NPD809	NPD809	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.987718931	COC(=O)C(C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3)coc2c1	InChI=1S/C20H18O6/c1-12-5-4-6-14(9-12)26-18-11-24-17-10-15(7-8-16(17)19(18)21)25-13(2)20(22)23-3/h4-11,13H,1-3H3	C20H18O6	354.353	6	0	71.06	3	6	0	-0.678700000000001	4.81287	3	4.998	45.8033	101.4555	2.566	324.620007011902
Cond-008074	NPD8090	NPD8090	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9271151631	CCCCOc1ccc(cc1)C(=O)NCC(=O)O	InChI=1S/C13H17NO4/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)	C13H17NO4	251.278	5	2	75.63	1	8	0	-1.7436	1.91379	2.34	2.111	37.276	70.0570000000001	1.9513	243.123173642678
Cond-008075	NPD8091	NPD8091	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.5958022341	CC(NC(=O)c1ccc(OCC=C)cc1)C1COc2c(O1)cccc2	InChI=1S/C20H21NO4/c1-3-12-23-16-10-8-15(9-11-16)20(22)21-14(2)19-13-24-17-6-4-5-7-18(17)25-19/h3-11,14,19H,1,12-13H2,2H3,(H,21,22)	C20H21NO4	339.385	5	1	56.79	3	7	0	-0.4159	3.60507	3.11	3.979	44.5649	100.2277	2.5914	320.672772519746
Cond-008076	NPD8092	NPD8092	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.12638381	C(NCc1ccccc1)C1OCCc2c1cccc2	InChI=1S/C17H19NO/c1-2-6-14(7-3-1)12-18-13-17-16-9-5-4-8-15(16)10-11-19-17/h1-9,17-18H,10-13H2	C17H19NO	253.339	2	1	21.26	3	4	1	-0.334499999999999	2.4096	3.11	5.324	26.9054	75.4537	2.0786	247.687055942062
Cond-008077	NPD8093	NPD8093	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0228422582	CCCCNC(C)C1COc2c(O1)cccc2	InChI=1S/C14H21NO2/c1-3-4-9-15-11(2)14-10-16-12-7-5-6-8-13(12)17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3	C14H21NO2	235.322	3	1	30.49	2	5	0	-1.2796	3.10539	2.67	3.159	40.379	70.7867000000001	1.9522	235.755163568223
Cond-008078	NPD8094	NPD8094	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.744928117	OC(=O)CCCCCNC(=O)c1c(O)cccc1	InChI=1S/C13H17NO4/c15-11-7-4-3-6-10(11)13(18)14-9-5-1-2-8-12(16)17/h3-4,6-7,15H,1-2,5,8-9H2,(H,14,18)(H,16,17)	C13H17NO4	251.278	5	3	86.63	1	8	0	-2.1525	2.00089	2.34	2.543	35.2216	69.7868000000001	1.9513	243.123173642678
Cond-008079	NPD8095	NPD8095	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5794219306	CC(=C(NC(=O)c1ccccc1)C(=O)NCCCCCC(=O)O)C	InChI=1S/C18H24N2O4/c1-13(2)16(20-17(23)14-9-5-3-6-10-14)18(24)19-12-8-4-7-11-15(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)	C18H24N2O4	332.394	6	3	95.5	1	11	1	-1.2176	2.63158	2.78	3.105	59.5289	94.3687000000001	2.6696	335.326939578579
Cond-008080	NPD8096	NPD8096	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4855482643	CC(=O)N/C(=C/c1cc2c(OCO2)cc1)/C(=O)N	InChI=1S/C12H12N2O4/c1-7(15)14-9(12(13)16)4-8-2-3-10-11(5-8)18-6-17-10/h2-5H,6H2,1H3,(H2,13,16)(H,14,15)/b9-4+	C12H12N2O4	248.235	6	3	90.65	2	4	0	-1.5414	0.929570000000001	2.12	0.528	37.4258	67.7951	1.7586	221.831031823378
Cond-008081	NPD8097	NPD8097	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.6165406001	[nH]1c2ccc1/C(=C\1/C=CC(=N1)/C(=c/1\[nH]/c(=C(\C3=N/C(=C\2/c2ccncc2)/C=C3)/c2ccncc2)/cc1)/c1ccncc1)/c1ccncc1	InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-	C40H26N8	618.688	8	2	108.92	9	4	1	0.0947999999999999	8.72597999999998	4.98	7.412	27.2372	196.68	4.57660000000001	540.223246975202
Cond-008082	NPD8098	NPD8098	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4792365877	CN(C)CCCCCN(C)Cc1cc2c(o1)cccc2	InChI=1S/C17H26N2O/c1-18(2)11-7-4-8-12-19(3)14-16-13-15-9-5-6-10-17(15)20-16/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3	C17H26N2O	274.401	3	0	19.62	2	8	0	-0.650000000000002	3.18309	3	3.5	47.3766	86.3600000000001	2.373	276.313192252629
Cond-008083	NPD81	NPD81	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2484173707	CC(C)C(C)/C=C/C(C)C1CC2/C(=C\C=C/3\CC(CCC3=C)OC(=O)c3cc(cc(c3)N(=O)=O)N(=O)=O)/CCCC2(C)C1	InChI=1S/C35H46N2O6/c1-22(2)23(3)9-10-25(5)29-19-33-26(8-7-15-35(33,6)21-29)12-13-27-18-32(14-11-24(27)4)43-34(38)28-16-30(36(39)40)20-31(17-28)37(41)42/h9-10,12-13,16-17,20,22-23,25,29,32-33H,4,7-8,11,14-15,18-19,21H2,1-3,5-6H3/b10-9+,26-12-,27-13-	C35H46N2O6	590.75	8	0	112.58	4	10	1	3.4349	8.71325	4.43	12.507	135.8606	174.278	4.7275	601.960379414635
Cond-008084	NPD810	NPD810	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.030539055	COc1cc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)cc1	InChI=1S/C21H18O6/c1-13-10-21(23)27-19-12-16(5-7-17(13)19)26-20(22)9-4-14-11-15(24-2)6-8-18(14)25-3/h4-12H,1-3H3/b9-4+	C21H18O6	366.364	6	0	71.06	3	6	0	0.8828	4.19687	3.11	4.164	51.984	104.185	2.6639	339.279532936968
Cond-008085	NPD8100	NPD8100	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1322947453	CCCCC1(C)NCCN2C1SCC2=O	InChI=1S/C11H20N2OS/c1-3-4-5-11(2)10-13(7-6-12-11)9(14)8-15-10/h10,12H,3-8H2,1-2H3	C11H20N2OS	228.354	3	1	57.64	2	3	0	-0.625499999999999	1.67389	2.23	1.541	59.9081	67.1347	1.8201	220.755684657428
Cond-008086	NPD8101	NPD8101	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3452887843	CCCCCC1(C)NCCN2C1SCC2=O	InChI=1S/C12H22N2OS/c1-3-4-5-6-12(2)11-14(8-7-13-12)10(15)9-16-11/h11,13H,3-9H2,1-2H3	C12H22N2OS	242.381	3	1	57.64	2	4	0	-0.913499999999999	2.06399	2.34	2.11	62.8197	71.7517	1.961	238.051669283295
Cond-008087	NPD8102	NPD8102	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2350849071	CC1(C)CC2(Cc3c(cccc3)C2=O)CCO1	InChI=1S/C15H18O2/c1-14(2)10-15(7-8-17-14)9-11-5-3-4-6-12(11)13(15)16/h3-6H,7-10H2,1-2H3	C15H18O2	230.302	2	0	26.3	3	0	0	0.851	2.96919	2.89	3.439	41.8732	69.196	1.8417	227.061470584323
Cond-008088	NPD8103	NPD8103	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	37.6396333216	O=c1n2CCCCCc2nc2c1C1(CCCCC1)Cc1c2cccc1	InChI=1S/C22H26N2O/c25-21-19-20(23-18-11-3-1-8-14-24(18)21)17-10-5-4-9-16(17)15-22(19)12-6-2-7-13-22/h4-5,9-10H,1-3,6-8,11-15H2	C22H26N2O	334.455	3	0	32.67	5	0	1	-2.2451	4.66787000000001	3.55	5.74	65.7496	103.196	2.6657	331.350821877963
Cond-008089	NPD8104	NPD8104	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5044832941	O=c1oc(nc2c1C1(CCCC1)Cc1c2cccc1)c1ccccc1	InChI=1S/C22H19NO2/c24-21-18-19(23-20(25-21)15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-22(18)12-6-7-13-22/h1-5,8-11H,6-7,12-14H2	C22H19NO2	329.392	3	0	38.66	5	1	1	-0.595800000000001	4.56898000000001	3.55	7.612	43.692	99.219	2.4956	310.334912267957
Cond-008090	NPD8105	NPD8105	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9857235886	OC1CC2N(C1)C(=S)N(C2=O)c1ccccc1	InChI=1S/C12H12N2O2S/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2	C12H12N2O2S	248.301	4	1	75.87	3	1	0	-0.7963	1.51428	2.23	2.142	39.7841	71.3108	1.7391	213.039602479856
Cond-008091	NPD8106	NPD8106	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7352602314	O=C1C2CCCN2C(=S)N1c1ccccc1	InChI=1S/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2	C12H12N2OS	232.301	3	0	55.64	3	1	0	-0.573599999999999	2.54348	2.34	3.172	36.7332	69.921	1.6804	204.249375779295
Cond-008092	NPD8107	NPD8107	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5074387617	COc1ccc(cc1)C1CC(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)C1	InChI=1S/C22H19NO3/c1-26-17-8-6-14(7-9-17)15-11-21(24)19(22(25)12-15)10-16-13-23-20-5-3-2-4-18(16)20/h2-10,13,15,23H,11-12H2,1H3/b19-10-	C22H19NO3	345.391	4	1	59.16	4	3	0	-0.964100000000001	4.25017000000001	3.44	4.073	42.3075	104.913	2.6199	317.945138968519
Cond-008093	NPD8108	NPD8108	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4183739919	COC(=O)COc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O	InChI=1S/C26H32O7/c1-25(2)10-17(27)23(18(28)11-25)22(24-19(29)12-26(3,4)13-20(24)30)15-6-8-16(9-7-15)33-14-21(31)32-5/h6-9,22-24H,10-14H2,1-5H3	C26H32O7	456.528	7	0	103.81	3	7	0	0.147399999999998	4.20548000000001	3.55	2.495	96.0226	125.036	3.5131	450.722600168464
Cond-008094	NPD8109	NPD8109	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5285778691	CC1(C)CC(=O)C(=Cc2c[nH]c3c2cccc3)C(=O)C1	InChI=1S/C17H17NO2/c1-17(2)8-15(19)13(16(20)9-17)7-11-10-18-14-6-4-3-5-12(11)14/h3-7,10,18H,8-9H2,1-2H3	C17H17NO2	267.322	3	1	49.93	3	1	0	0.308	3.48397	3	3.271	45.8136	82.959	2.0943	253.840823941823
Cond-008095	NPD811	NPD811	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.5838009634	COC1([C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccccc1)/C(=N/O)/C	InChI=1S/C29H39NO5/c1-18(30-33)29(34-4)25(31)17-24-22-11-10-20-16-21(35-26(32)19-8-6-5-7-9-19)12-14-27(20,2)23(22)13-15-28(24,29)3/h5-10,21-25,31,33H,11-17H2,1-4H3/b30-18+/t21?,22?,23?,24?,25-,27+,28+,29?/m1/s1	C29H39NO5	481.624	6	2	88.35	5	5	1	-0.286200000000005	5.27548000000001	3.99	6.26	106.1453	136.1253	3.787	476.586860853109
Cond-008096	NPD8110	NPD8110	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4621549867	OC(=O)c1ccc(cc1)/N=C\1/C(=O)Nc2c1cccc2	InChI=1S/C15H10N2O3/c18-14-13(11-3-1-2-4-12(11)17-14)16-10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)(H,16,17,18)	C15H10N2O3	266.252	5	2	78.76	3	2	0	-0.9802	2.92387	2.56	3.17	21.2639	78.7495	1.885	233.762924197217
Cond-008097	NPD8112	NPD8112	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9672114558	COc1cc(cc(OC)c1OC)C1Nc2c(cccc2)C(=O)N1c1c(OC)cccc1	InChI=1S/C24H24N2O5/c1-28-19-12-8-7-11-18(19)26-23(25-17-10-6-5-9-16(17)24(26)27)15-13-20(29-2)22(31-4)21(14-15)30-3/h5-14,23,25H,1-4H3	C24H24N2O5	420.458	7	1	69.26	4	6	0	-1.1302	4.64648	3.33	4.331	43.1822	121.3747	3.1189	381.114321829541
Cond-008098	NPD8113	NPD8113	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3930071345	COc1cc(cc(OC)c1OC)C1Nc2c(cccc2)C(=O)N1Cc1ccco1	InChI=1S/C22H22N2O5/c1-26-18-11-14(12-19(27-2)20(18)28-3)21-23-17-9-5-4-8-16(17)22(25)24(21)13-15-7-6-10-29-15/h4-12,21,23H,13H2,1-3H3	C22H22N2O5	394.42	7	1	73.17	4	6	0	-1.2209	3.34069	3.11	3.325	42.1977	111.4017	2.8801	349.158811278608
Cond-008099	NPD8114	NPD8114	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3791428427	O=c1n2c(c/c/1=C\N1CCCCC1)c(=O)c1c2cccc1	InChI=1S/C17H16N2O2/c20-16-13-6-2-3-7-14(13)19-15(16)10-12(17(19)21)11-18-8-4-1-5-9-18/h2-3,6-7,10-11H,1,4-5,8-9H2/b12-11+	C17H16N2O2	280.321	4	0	40.62	4	1	0	-1.954	2.30397	2.89	3.202	51.8312	82.33	2.0855	263.38112544919
Cond-008100	NPD8115	NPD8115	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.6018317057	Oc1cc2c(occ2C(=O)c2ccccc2)cc1	InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-9,16H	C15H10O3	238.238	3	1	50.44	3	2	0	-0.8782	3.26388	2.78	3.72	9.5297	72.9378	1.7284	203.505862481684
Cond-008101	NPD8116	NPD8116	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9450994282	O=c1n2c(CCCc3c2cccc3)nc2c1cccc2	InChI=1S/C17H14N2O/c20-17-13-8-2-3-9-14(13)18-16-11-5-7-12-6-1-4-10-15(12)19(16)17/h1-4,6,8-10H,5,7,11H2	C17H14N2O	262.306	3	0	32.67	4	0	0	-0.7909	4.10647	3	4.527	25.9663	83.987	1.9838	241.054440047828
Cond-008102	NPD8117	NPD8117	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	14.4310074381	O=C1c2c(cccc2)C(=O)c2c1ccc1c2nccc1	InChI=1S/C17H9NO2/c19-16-11-5-1-2-6-12(11)17(20)14-13(16)8-7-10-4-3-9-18-15(10)14/h1-9H	C17H9NO2	259.259	3	0	47.03	4	0	0	-0.5276	2.92388	3	3.673	10.692	77.8055	1.8567	222.674989138623
Cond-008103	NPD8118	NPD8118	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6875980367	CC[N+]1(Cc2ccccc2)C2=C(CN(C)CC2)c2c1cccc2	InChI=1S/C21H25N2/c1-3-23(16-17-9-5-4-6-10-17)20-12-8-7-11-18(20)19-15-22(2)14-13-21(19)23/h4-12H,3,13-16H2,1-2H3/q+1	C21H25N2+	305.437	2	0	3.24	4	3	1	-1.4035	4.31388	3.55	5.061	44.0596	97.2480000000001	2.5532	305.402839901935
Cond-008104	NPD8119	NPD8119	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6774781157	Oc1cc2c(OC3(C2CCCNC3=O)N2CCCCC2)cc1	InChI=1S/C17H22N2O3/c20-12-6-7-15-13(11-12)14-5-4-8-18-16(21)17(14,22-15)19-9-2-1-3-10-19/h6-7,11,14,20H,1-5,8-10H2,(H,18,21)	C17H22N2O3	302.368	5	2	61.8	4	1	0	-2.3837	2.19429	2.78	1.422	49.8614	85.1175	2.2732	280.080728252151
Cond-008105	NPD812	NPD812	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.8808875864	COCCOC(=O)c1ccc(NC(=O)COc2cc3c(cc2)c(C)cc(=O)o3)cc1	InChI=1S/C22H21NO7/c1-14-11-21(25)30-19-12-17(7-8-18(14)19)29-13-20(24)23-16-5-3-15(4-6-16)22(26)28-10-9-27-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)	C22H21NO7	411.405	8	1	100.16	3	10	0	-0.394	3.98166000000001	3	2.985	57.4717	112.9382	2.9633	376.362504471563
Cond-008106	NPD8120	NPD8120	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.14486667	OCCNC(=O)CNC(=O)c1cc2c([nH]c3c2cccc3)cc1	InChI=1S/C17H17N3O3/c21-8-7-18-16(22)10-19-17(23)11-5-6-15-13(9-11)12-3-1-2-4-14(12)20-15/h1-6,9,20-21H,7-8,10H2,(H,18,22)(H,19,23)	C17H17N3O3	311.335	6	4	94.22	3	7	0	-2.3289	1.05108	2.67	1.357	34.734	92.7282	2.3096	271.088112357918
Cond-008107	NPD8121	NPD8121	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8678844305	Oc1ccc(cc1)C1Nc2c(NC3=C1C(=O)NC3)cccc2	InChI=1S/C17H15N3O2/c21-11-7-5-10(6-8-11)16-15-14(9-18-17(15)22)19-12-3-1-2-4-13(12)20-16/h1-8,16,19-21H,9H2,(H,18,22)	C17H15N3O2	293.32	5	4	73.39	4	1	0	-2.1493	2.77387	2.78	2.165	33.1424	87.0089	2.1423	260.841426956556
Cond-008108	NPD8122	NPD8122	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4870718008	CSCCC(NC=C1C(=O)CC(C)(C)CC1=O)C(=O)O	InChI=1S/C14H21NO4S/c1-14(2)6-11(16)9(12(17)7-14)8-15-10(13(18)19)4-5-20-3/h8,10,15H,4-7H2,1-3H3,(H,18,19)	C14H21NO4S	299.386	5	2	108.77	1	6	0	-0.193399999999998	1.78448	2.34	2.643	76.7114	81.6435	2.2987	292.464641026945
Cond-008109	NPD8124	NPD8124	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7299499064	COc1ccc(CCN/C(=N\CCc2ccc(OC)c(OC)c2)/Cc2ccccc2)cc1OC	InChI=1S/C28H34N2O4/c1-31-24-12-10-22(18-26(24)33-3)14-16-29-28(20-21-8-6-5-7-9-21)30-17-15-23-11-13-25(32-2)27(19-23)34-4/h5-13,18-19H,14-17,20H2,1-4H3,(H,29,30)	C28H34N2O4	462.581	6	1	61.31	3	13	2	-0.338799999999998	4.63469000000001	3.88	6.83	60.6522	137.7657	3.7324	453.864492333247
Cond-008110	NPD8125	NPD8125	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5954055558	CC(C)Cc1ccc(cc1)C(C)C(=O)NCCNC(=O)C(C)c1ccc(CC(C)C)cc1	InChI=1S/C28H40N2O2/c1-19(2)17-23-7-11-25(12-8-23)21(5)27(31)29-15-16-30-28(32)22(6)26-13-9-24(10-14-26)18-20(3)4/h7-14,19-22H,15-18H2,1-6H3,(H,29,31)(H,30,32)	C28H40N2O2	436.629	4	2	58.2	2	13	2	1.1314	5.45709000000001	4.1	10.054	81.0604	136.0604	3.8096	464.813415034525
Cond-008111	NPD8126	NPD8126	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6044122856	COc1ccc(OC)c(c1)C(=O)c1coc2c1cc(OCC(=O)O)cc2	InChI=1S/C19H16O7/c1-23-11-3-5-16(24-2)14(7-11)19(22)15-9-26-17-6-4-12(8-13(15)17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)	C19H16O7	356.326	7	1	95.2	3	7	0	-1.1172	3.87908	2.78	2.1	34.9971	97.6273	2.4838	305.214249086596
Cond-008112	NPD8127	NPD8127	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9226332035	Cc1cc2c(cc1)n1CC(O)CN=C3CCCc2c13	InChI=1S/C16H18N2O/c1-10-5-6-15-13(7-10)12-3-2-4-14-16(12)18(15)9-11(19)8-17-14/h5-7,11,19H,2-4,8-9H2,1H3	C16H18N2O	254.327	3	1	37.52	4	0	0	-0.352900000000002	2.4721	2.89	2.253	42.5295	77.7828000000001	1.9719	231.667831524362
Cond-008113	NPD8128	NPD8128	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.281789202	OC1CCCc2c1[nH]c1c2cc(Br)cc1	InChI=1S/C12H12BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,11,14-15H,1-3H2	C12H12BrNO	266.134	2	2	36.02	3	0	0	-0.5559	2.88229	2.45	3.057	28.5502	64.5918	1.6351	185.763669191895
Cond-008114	NPD8129	NPD8129	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	79.9777361737	OC(=O)C1CCCc2c1[nH]c1c2cc(Br)cc1	InChI=1S/C13H12BrNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)	C13H12BrNO2	294.144	3	2	53.09	3	1	0	0.113900000000001	3.59208	2.45	3.35	34.9688	74.0298000000001	1.7917	209.213421817523
Cond-008115	NPD813	NPD813	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9784150908	CC(=O)c1c2oc(=O)cc(C)c2ccc1OC(=O)c1c(Cl)cccc1	InChI=1S/C19H13ClO5/c1-10-9-16(22)25-18-12(10)7-8-15(17(18)11(2)21)24-19(23)13-5-3-4-6-14(13)20/h3-9H,1-2H3	C19H13ClO5	356.757	5	0	69.67	3	4	0	1.1157	5.13686	2.89	4.256	43.4949	98.446	2.4458	311.108404755107
Cond-008116	NPD8130	NPD8130	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9593685169	COc1c(OC)cc2C(=O)NC3(CCCC3)Cc2c1	InChI=1S/C15H19NO3/c1-18-12-7-10-9-15(5-3-4-6-15)16-14(17)11(10)8-13(12)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)	C15H19NO3	261.316	4	1	47.56	3	2	0	-0.766900000000001	2.27089	2.67	2.025	43.8575	74.9367	2.0002	246.84845749305
Cond-008117	NPD8131	NPD8131	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.4567626373	OC12OC34CCCCC3CC31CCCC2CC1CCCCC31O4	InChI=1S/C20H30O3/c21-20-15-8-5-9-17(20)13-16-7-2-4-11-19(16,23-20)22-18(17)10-3-1-6-14(18)12-15/h14-16,21H,1-13H2	C20H30O3	318.45	3	1	38.69	4	0	0	-2.5611	4.13120000000001	3.33	4.415	73.4981	85.5058000000001	2.4511	306.708079115018
Cond-008118	NPD8132	NPD8132	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.832312908	COc1cc2c(cc1)c(C)nc(NC(=N)N)n2	InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)	C11H13N5O	231.254	6	4	96.91	2	3	0	-0.0818	2.0292	2.01	1.787	24.248	68.3028	1.741	200.254647720328
Cond-008119	NPD8133	NPD8133	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3375499671	CCc1c2ccc(C)cc2nc(NC(=N)N)n1	InChI=1S/C12H15N5/c1-3-9-8-5-4-7(2)6-10(8)16-12(15-9)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)	C12H15N5	229.281	5	4	87.68	2	3	0	-0.0641999999999996	2.52829	2.23	3.123	25.5121	70.8628	1.8232	208.760405645634
Cond-008120	NPD8134	NPD8134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.302686839	COc1cc(N)c(cc1OC)C(c1ccc(C)o1)c1ccc(C)o1	InChI=1S/C19H21NO4/c1-11-5-7-15(23-11)19(16-8-6-12(2)24-16)13-9-17(21-3)18(22-4)10-14(13)20/h5-10,19H,20H2,1-4H3	C19H21NO4	327.374	5	2	70.76	3	5	0	-0.4136	4.79944	3	3.557	37.3366	93.2854	2.4935	295.113246594679
Cond-008121	NPD8136	NPD8136	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.4751808936	CC(=O)CCc1c(c2ccc(C)o2)c2c(o1)ccc(Br)c2	InChI=1S/C17H15BrO3/c1-10(19)3-6-16-17(15-7-4-11(2)20-15)13-9-12(18)5-8-14(13)21-16/h4-5,7-9H,3,6H2,1-2H3	C17H15BrO3	347.203	3	0	43.35	3	4	0	1.0566	5.13939	2.89	4.174	37.3412	92.711	2.2282	260.017909411784
Cond-008122	NPD8137	NPD8137	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.6783889086	Cc1ccc(o1)c1c(CCC(C)(O)c2ccccc2)oc2c1cc(C)cc2	InChI=1S/C24H24O3/c1-16-9-11-20-19(15-16)23(21-12-10-17(2)26-21)22(27-20)13-14-24(3,25)18-7-5-4-6-8-18/h4-12,15,25H,13-14H2,1-3H3	C24H24O3	360.446	3	1	46.51	4	5	1	0.978799999999999	5.14862000000001	3.77	7.48	33.9765	109.9618	2.8449	333.276806712885
Cond-008123	NPD8138	NPD8138	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.4227091029	CC(=O)CCc1c(c2c(o1)cccc2)c1ccc(C)cc1	InChI=1S/C19H18O2/c1-13-7-10-15(11-8-13)19-16-5-3-4-6-17(16)21-18(19)12-9-14(2)20/h3-8,10-11H,9,12H2,1-2H3	C19H18O2	278.345	2	0	30.21	3	4	1	0.5244	4.80309	3.33	6.225	26.8926	90.316	2.2333	263.89957428459
Cond-008124	NPD8139	NPD8139	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.7221069676	Cc1cc2c(o1)c1c(CCC2(C)c2ccccc2)oc2c1cccc2	InChI=1S/C23H20O2/c1-15-14-18-22(24-15)21-17-10-6-7-11-19(17)25-20(21)12-13-23(18,2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3	C23H20O2	328.404	2	0	26.28	5	1	1	0.7215	5.6409	3.77	8.362	26.4105	103.05	2.5367	294.834136685657
Cond-008125	NPD814	NPD814	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.0601907767	Clc1cccc(c1)C(=O)Oc1ccc2c(oc(=O)cc2c2ccccc2)c1	InChI=1S/C22H13ClO4/c23-16-8-4-7-15(11-16)22(25)26-17-9-10-18-19(14-5-2-1-3-6-14)13-21(24)27-20(18)12-17/h1-13H	C22H13ClO4	376.789	4	0	52.6	4	4	1	0.7276	5.46187	3.33	7.711	27.2224	106.2505	2.6152	325.676755829746
Cond-008126	NPD8140	NPD8140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1085361534	Cc1cc2c(o1)c1c(CCC2(C)c2ccccc2)oc2c1cc(Cl)cc2	InChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3	C23H19ClO2	362.849	2	0	26.28	5	1	1	1.4658	6.2943	3.66	8.247	32.0261	108.06	2.6591	310.045204456091
Cond-008127	NPD8141	NPD8141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	52.8968274047	CC1CCc2c(c3c1cc(C)o3)c1c(o2)ccc(Cl)c1	InChI=1S/C17H15ClO2/c1-9-3-5-15-16(17-12(9)7-10(2)19-17)13-8-11(18)4-6-14(13)20-15/h4,6-9H,3,5H2,1-2H3	C17H15ClO2	286.753	2	0	26.28	4	0	0	1.5202	5.37921	3	4.734	32.0252	84.778	2.0513	237.435131504089
Cond-008128	NPD8142	NPD8142	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9908414714	COc1ccc(cc1)C1CC(=O)C(C)(C)O1	InChI=1S/C13H16O3/c1-13(2)12(14)8-11(16-13)9-4-6-10(15-3)7-5-9/h4-7,11H,8H2,1-3H3	C13H16O3	220.264	3	0	35.53	2	2	0	0.108799999999999	2.39709	2.56	1.791	35.996	62.988	1.7272	213.61618673395
Cond-008129	NPD8143	NPD8143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.8777007539	CC(=O)Oc1cc2c(cc1)nc(oc2=O)/C=C/c1ccccc1	InChI=1S/C18H13NO4/c1-12(20)22-14-8-9-16-15(11-14)18(21)23-17(19-16)10-7-13-5-3-2-4-6-13/h2-11H,1H3/b10-7+	C18H13NO4	307.3	5	0	64.96	3	4	1	0.2235	3.20907	2.89	5.898	34.4499	88.512	2.2236	280.807885866412
Cond-008130	NPD8144	NPD8144	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7250923443	NC(=O)c1c(NC(=O)c2cccc(c2)C(=O)Nc2c(cccc2)C(=O)N)cccc1	InChI=1S/C22H18N4O4/c23-19(27)15-8-1-3-10-17(15)25-21(29)13-6-5-7-14(12-13)22(30)26-18-11-4-2-9-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	C22H18N4O4	402.403	8	6	144.38	3	8	0	-2.5392	2.95748	3	4.023	29.766	115.5327	2.9576	364.17272889198
Cond-008131	NPD8145	NPD8145	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0699286546	O=c1oc(nc2ccc(cc12)c1cc2c(cc1)nc(oc2=O)c1ccccc1)c1ccccc1	InChI=1S/C28H16N2O4/c31-27-21-15-19(11-13-23(21)29-25(33-27)17-7-3-1-4-8-17)20-12-14-24-22(16-20)28(32)34-26(30-24)18-9-5-2-6-10-18/h1-16H	C28H16N2O4	444.438	6	0	77.32	6	3	1	-0.1128	5.66317	3.88	9.356	24.9806	133.5225	3.14860000000001	390.076364026046
Cond-008132	NPD8146	NPD8146	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.508070637	O=c1nc2n(c(=O)c3cccc4c3c2ccc4)c2c1ccc(c2)n1c(=O)c2cccc3c2c(ccc3)c1=O	InChI=1S/C31H15N3O4/c35-28-19-14-13-18(33-29(36)22-11-3-7-17-8-4-12-23(26(17)22)30(33)37)15-24(19)34-27(32-28)20-9-1-5-16-6-2-10-21(25(16)20)31(34)38/h1-15H	C31H15N3O4	493.468	7	0	87.12	8	1	1	-2.1281	5.74757	4.1	7.981	30.7646	147.4155	3.36790000000001	412.075243308613
Cond-008133	NPD8148	NPD8148	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	53.3421039316	O=c1oc(/C=C/c2ccccc2)nc2ccccc12	InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+	C16H11NO2	249.264	3	0	38.66	3	2	1	0.3047	3.28377	2.89	6.332	22.7338	77.203	1.8674	231.271921914356
Cond-008134	NPD8149	NPD8149	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4518544755	OC(=O)c1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1C(=O)O	InChI=1S/C22H16N2O6/c25-19(23-17-10-3-1-8-15(17)21(27)28)13-6-5-7-14(12-13)20(26)24-18-11-4-2-9-16(18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	C22H16N2O6	404.372	8	4	132.8	3	8	1	-1.7492	4.15608	3	5.479	29.3216	112.4155	2.8754	359.759661876768
Cond-008135	NPD815	NPD815	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.729746703	COc1ccc(Oc2coc3cc(OC(C)C(=O)OCC(C)C)ccc3c2=O)cc1	InChI=1S/C23H24O7/c1-14(2)12-28-23(25)15(3)29-18-9-10-19-20(11-18)27-13-21(22(19)24)30-17-7-5-16(26-4)6-8-17/h5-11,13-15H,12H2,1-4H3	C23H24O7	412.432	7	0	80.29	3	9	1	-0.8903	5.05336000000001	3.22	5.098	60.9003	115.866	3.0474	385.298187590063
Cond-008136	NPD8150	NPD8150	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8971310024	NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1c(cccc1)C(=O)N	InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	C22H18N4O4	402.403	8	6	144.38	3	8	0	-2.5392	2.95748	3	3.812	29.766	115.5327	2.9576	364.17272889198
Cond-008137	NPD8151	NPD8151	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9863381066	OC(=O)c1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(cc2)C(=O)O)cc1	InChI=1S/C22H16N2O6/c25-19(23-17-8-4-13(5-9-17)21(27)28)15-2-1-3-16(12-15)20(26)24-18-10-6-14(7-11-18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	C22H16N2O6	404.372	8	4	132.8	3	8	0	-1.7492	4.15608	3	4.199	29.3216	112.4155	2.8754	359.759661876768
Cond-008138	NPD8152	NPD8152	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3889085665	COc1ccc(OC)c2c1nc(O)cc2C	InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)	C12H13NO3	219.237	4	1	51.58	2	2	0	0.0780999999999996	2.81611	2.34	1.789	22.6983	63.878	1.6431	193.78050361545
Cond-008139	NPD8153	NPD8153	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.737944644	CN1CCc2c(n(c3c2cccc3)c2ccccc2)C1=O	InChI=1S/C18H16N2O/c1-19-12-11-15-14-9-5-6-10-16(14)20(17(15)18(19)21)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3	C18H16N2O	276.332	3	0	24.72	4	1	0	-0.252099999999999	3.65638	3.11	4.626	25.2002	88.444	2.1247	247.450424673695
Cond-008140	NPD8154	NPD8154	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	47.2499114507	CC1=[N+](C)c2c(ccc3c2nccc3)C1(C)C	InChI=1S/C15H17N2/c1-10-15(2,3)12-8-7-11-6-5-9-16-13(11)14(12)17(10)4/h5-9H,1-4H3/q+1	C15H17N2+	225.309	2	0	15.9	3	0	0	-0.9943	4.08678	2.89	2.838	28.3687	75.318	1.8594	216.619849548334
Cond-008141	NPD8155	NPD8155	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6070434651	CCCCN1CCc2c([nH]c3c2cc(C)cc3)C1=O	InChI=1S/C16H20N2O/c1-3-4-8-18-9-7-12-13-10-11(2)5-6-14(13)17-15(12)16(18)19/h5-6,10,17H,3-4,7-9H2,1-2H3	C16H20N2O	256.343	3	1	36.1	3	3	0	-0.6591	2.886	2.89	3.946	41.8417	80.949	2.0805	244.024290225162
Cond-008142	NPD8156	NPD8156	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8622678743	CCCCN1CCc2c([nH]c3c2cccc3C)C1=O	InChI=1S/C16H20N2O/c1-3-4-9-18-10-8-13-12-7-5-6-11(2)14(12)17-15(13)16(18)19/h5-7,17H,3-4,8-10H2,1-2H3	C16H20N2O	256.343	3	1	36.1	3	3	0	-0.6591	2.886	2.89	3.735	41.8417	80.949	2.0805	244.024290225162
Cond-008143	NPD8157	NPD8157	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8664170419	CC1(C)Oc2c(C/C/1=N\O)c1c(ccc(=O)o1)cc2	InChI=1S/C14H13NO4/c1-14(2)11(15-17)7-9-10(19-14)5-3-8-4-6-12(16)18-13(8)9/h3-6,17H,7H2,1-2H3/b15-11+	C14H13NO4	259.257	5	1	68.12	3	0	0	0.522899999999999	3.21526	2.45	1.886	45.3524	75.0465	1.832	233.069782166145
Cond-008144	NPD8158	NPD8158	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9679704498	CC1(C)Oc2c(c3c(ccc(=O)o3)cc2)/C(=N/O)/C1=O	InChI=1S/C14H11NO5/c1-14(2)13(17)11(15-18)10-8(20-14)5-3-7-4-6-9(16)19-12(7)10/h3-6,18H,1-2H3/b15-11-	C14H11NO5	273.241	6	1	85.19	3	0	0	0.2243	2.58996	2.34	1.974	46.1492	75.4515	1.8477	239.223550165906
Cond-008145	NPD816	NPD816	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2683411099	Cn1c(=O)cc2c3c(cccc3)c(=O)c3c2c1ccc3Nc1ccc(C)cc1	InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3	C24H18N2O2	366.412	4	1	49.41	5	2	1	-0.4092	5.06199	3.66	5.748	36.3097	112.5942	2.7482	337.114265625457
Cond-008146	NPD8160	NPD8160	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6268785103	Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	InChI=1S/C17H14N2O6/c18-12-3-1-9(2-4-12)14(20)8-15(21)19-13-6-10(16(22)23)5-11(7-13)17(24)25/h1-7H,8,18H2,(H,19,21)(H,22,23)(H,24,25)	C17H14N2O6	342.303	8	5	146.79	2	7	0	-2.0933	1.84509	2.45	2.074	35.9974	91.8137000000001	2.4085	304.445573550634
Cond-008147	NPD8161	NPD8161	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	33.982694935	CCCCNC1(SSSSSSC1=S)c1ccccc1	InChI=1S/C12H15NS7/c1-2-3-9-13-12(10-7-5-4-6-8-10)11(14)15-17-19-20-18-16-12/h4-8,13H,2-3,9H2,1H3	C12H15NS7	397.709	1	1	195.92	2	5	0	3.4057	6.2032	1.9	4.928	81.7281	108.3967	2.6545	310.509450617767
Cond-008148	NPD8162	NPD8162	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5935333704	[Na+].CCOC(=O)c1c(C)c(CCC(=O)[O-])c(C)[nH]1	InChI=1S/C12H17NO4.Na/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15;/h13H,4-6H2,1-3H3,(H,14,15);/q;+1/p-1	C12H16NNaO4	261.25	5	1	82.22	1	6	0	0.1023	0.14183	2.23	0.906	45.1729	62.3395	1.8319	227.145418367211
Cond-008149	NPD8163	NPD8163	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4147649648	CCOC(=O)c1c(C)c(CC)c(Cc2c(CC)c(C)c([nH]2)C(=O)OCC)[nH]1	InChI=1S/C21H30N2O4/c1-7-14-12(5)18(20(24)26-9-3)22-16(14)11-17-15(8-2)13(6)19(23-17)21(25)27-10-4/h22-23H,7-11H2,1-6H3	C21H30N2O4	374.474	6	2	84.18	2	10	0	1.6426	3.25934	3.11	4.264	75.735	108.0855	3.0267	366.59489345618
Cond-008150	NPD8164	NPD8164	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	56.0340029348	CCOC(=O)c1c(C)c(CCC(=O)OC)c(Cc2c(CCC(=O)OC)c(C)c([nH]2)C(=O)OCC)[nH]1	InChI=1S/C25H34N2O8/c1-7-34-24(30)22-14(3)16(9-11-20(28)32-5)18(26-22)13-19-17(10-12-21(29)33-6)15(4)23(27-19)25(31)35-8-2/h26-27H,7-13H2,1-6H3	C25H34N2O8	490.546	10	2	136.78	2	16	1	1.2456	2.34574	3.11	2.718	97.84	130.0035	3.7391	465.666821360292
Cond-008151	NPD8165	NPD8165	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.4758892881	CC(=C)COc1cc2c(c3c(CCC3)c(=O)o2)c(OCC(=C)C)c1	InChI=1S/C20H22O4/c1-12(2)10-22-14-8-17(23-11-13(3)4)19-15-6-5-7-16(15)20(21)24-18(19)9-14/h8-9H,1,3,5-7,10-11H2,2,4H3	C20H22O4	326.386	4	0	44.76	3	6	0	1.8451	4.85725	3.22	2.801	68.3335	97.168	2.5346	323.212471012379
Cond-008152	NPD8166	NPD8166	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.7543389162	CC(=C)COc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1	InChI=1S/C19H16O4/c1-12(2)11-22-14-8-15(20)19-16(21)10-17(23-18(19)9-14)13-6-4-3-5-7-13/h3-10,20H,1,11H2,2H3	C19H16O4	308.328	4	1	55.76	3	4	0	0.0475000000000005	4.17596	3.11	4.148	39.8614	91.5438	2.3077	289.743568984912
Cond-008153	NPD8167	NPD8167	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.4440115367	CC(=CCOc1cc2c(c(=O)cc(o2)c2ccccc2)c(O)c1)C	InChI=1S/C20H18O4/c1-13(2)8-9-23-15-10-16(21)20-17(22)12-18(24-19(20)11-15)14-6-4-3-5-7-14/h3-8,10-12,21H,9H2,1-2H3	C20H18O4	322.355	4	1	55.76	3	4	0	0.449799999999999	4.56606	3.22	4.883	45.5349	96.1608	2.4486	307.039553610779
Cond-008154	NPD8168	NPD8168	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8776501543	Cc1ccc(C)n1CCc1c[nH]c2c1cccc2	InChI=1S/C16H18N2/c1-12-7-8-13(2)18(12)10-9-14-11-17-16-6-4-3-5-15(14)16/h3-8,11,17H,9-10H2,1-2H3	C16H18N2	238.328	2	1	20.72	3	3	0	0.739	3.24614	3	4.342	26.827	75.454	1.9788	221.697604823801
Cond-008155	NPD8169	NPD8169	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9927136568	CCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23	InChI=1S/C17H27N3O/c1-2-20-11-13-7-6-8-16(12-20)14(13)18-17(19-15(16)21)9-4-3-5-10-17/h13H,2-12H2,1H3,(H,19,21)	C17H27N3O	289.416	4	1	44.7	4	1	0	-2.2558	2.47118	2.89	1.811	71.687	87.3397000000001	2.3416	289.669952460796
Cond-008156	NPD817	NPD817	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6706195148	[C@H]12CCCC[N+]1(C)CCC[C@H]2COC(=O)COc1ccc(Cl)cc1Cl	InChI=1S/C19H26Cl2NO3/c1-22-9-3-2-6-17(22)14(5-4-10-22)12-25-19(23)13-24-18-8-7-15(20)11-16(18)21/h7-8,11,14,17H,2-6,9-10,12-13H2,1H3/q+1/t14-,17+,22?/m0/s1	C19H26Cl2NO3+	387.321	4	0	35.53	3	6	0	-1.5181	5.05918	2.89	3.548	65.8362	104.5014	2.8301	347.772760887785
Cond-008157	NPD8170	NPD8170	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3847593989	Cc1cc(=O)oc2c1ccc(c2)N1C(=O)CC(Cc2ccccc2)C1=O	InChI=1S/C21H17NO4/c1-13-9-20(24)26-18-12-16(7-8-17(13)18)22-19(23)11-15(21(22)25)10-14-5-3-2-4-6-14/h2-9,12,15H,10-11H2,1H3	C21H17NO4	347.364	5	0	63.68	4	3	1	0.169399999999999	3.68307	3.22	5.034	46.1256	100.716	2.5377	320.339381043213
Cond-008158	NPD8172	NPD8172	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1778576127	COc1cc2c(oc(=O)c(c2)C(=O)O)cc1	InChI=1S/C11H8O5/c1-15-7-2-3-9-6(4-7)5-8(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)	C11H8O5	220.178	5	1	72.83	2	2	0	-0.1105	1.13338	2.12	2.013	29.9253	56.4228	1.4768	191.331753481739
Cond-008159	NPD8173	NPD8173	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4601022112	OC(=O)c1cc2c(oc1=O)ccc(Br)c2	InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)	C10H5BrO4	269.048	4	1	63.6	2	1	0	0.8301	1.88728	2.01	2.891	31.2086	57.5708	1.4522	184.529161132878
Cond-008160	NPD8174	NPD8174	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6107878359	COc1cc2c(oc(=N)c(c2)C(=O)NCc2ccccc2)cc1	InChI=1S/C18H16N2O3/c1-22-14-7-8-16-13(9-14)10-15(17(19)23-16)18(21)20-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,20,21)	C18H16N2O3	308.331	5	2	71.41	3	5	0	-0.3357	2.47635	2.89	4.688	36.1168	89.0394000000001	2.3077	285.650878074818
Cond-008161	NPD8175	NPD8175	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.930121945	CC12OC(=O)CC1C1=C(CC(C)(C)CC1=O)O2	InChI=1S/C13H16O4/c1-12(2)5-8(14)11-7-4-10(15)17-13(7,3)16-9(11)6-12/h7H,4-6H2,1-3H3	C13H16O4	236.264	4	0	52.6	3	0	0	0.386599999999999	2.09918	2.45	1.529	60.1628	61.71	1.7203	223.586413434511
Cond-008162	NPD8176	NPD8176	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5088296311	Cc1c(CC(=O)O)c2c(CC(C)(C)CC2=O)o1	InChI=1S/C13H16O4/c1-7-8(4-11(15)16)12-9(14)5-13(2,3)6-10(12)17-7/h4-6H2,1-3H3,(H,15,16)	C13H16O4	236.264	4	1	67.51	2	2	0	1.0868	2.30451	2.45	1.77	47.3946	65.7923	1.7859	222.406413434511
Cond-008163	NPD8177	NPD8177	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2614481607	Cn1c2c([nH]c(n2)N(=O)=O)c(=O)n(C)c1=O	InChI=1S/C7H7N5O4/c1-10-4-3(5(13)11(2)7(10)14)8-6(9-4)12(15)16/h1-2H3,(H,8,9)	C7H7N5O4	225.162	9	1	112.44	2	1	0	-0.3069	-0.28962	1.24	-0.0560000000000002	33.4675	57.503	1.3965	170.977848019345
Cond-008164	NPD8178	NPD8178	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6441329758	CCOC(=O)c1cc2c(nc1C)n(C)c(=O)n(C)c2=O	InChI=1S/C13H15N3O4/c1-5-20-12(18)8-6-9-10(14-7(8)2)15(3)13(19)16(4)11(9)17/h6H,5H2,1-4H3	C13H15N3O4	277.276	7	0	79.81	2	3	0	0.1545	1.47831	2.12	0.735	48.2922	73.4375	1.9993	250.123776657411
Cond-008165	NPD8179	NPD8179	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.8139452512	COc1c2c3c(onc3cc1)c1c(cccc1)C2=O	InChI=1S/C15H9NO3/c1-18-11-7-6-10-12-13(11)14(17)8-4-2-3-5-9(8)15(12)19-16-10/h2-7H,1H3	C15H9NO3	251.237	4	0	52.33	4	1	0	-0.4697	3.97057	2.67	3.136	14.2809	76.437	1.7196	202.14616398905
Cond-008166	NPD818	NPD818	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.622168544	CCCCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1	InChI=1S/C23H23NO5/c1-2-3-4-7-14-28-22(26)16-10-12-18(13-11-16)24-21(25)19-15-17-8-5-6-9-20(17)29-23(19)27/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,24,25)	C23H23NO5	393.432	6	1	81.7	3	10	1	-1.6339	5.51686000000001	3.33	6.407	51.3807	114.0352	2.9868	376.078035696308
Cond-008167	NPD8180	NPD8180	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2164651116	Nc1c(cc(O)c2c1C(=O)c1c(cccc1)C2=O)N1CCCC1	InChI=1S/C18H16N2O3/c19-16-12(20-7-3-4-8-20)9-13(21)14-15(16)18(23)11-6-2-1-5-10(11)17(14)22/h1-2,5-6,9,21H,3-4,7-8,19H2	C18H16N2O3	308.331	5	3	83.63	4	1	0	-2.2774	2.68898	2.89	1.764	35.6243	92.7139	2.2421	275.930878074818
Cond-008168	NPD8181	NPD8181	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	98.4263522745	COc1ccc(cc1)C(=O)c1coc2c(cc(C)cc2)c1=O	InChI=1S/C18H14O4/c1-11-3-8-16-14(9-11)18(20)15(10-22-16)17(19)12-4-6-13(21-2)7-5-12/h3-10H,1-2H3	C18H14O4	294.301	4	0	52.6	3	3	0	-0.3403	3.46049	3	4.105	33.4692	85.2605000000001	2.1668	272.447584359045
Cond-008169	NPD8182	NPD8182	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	59.8492131761	O=C(c1ccccc1)c1coc2c(cccc2)c1=O	InChI=1S/C16H10O3/c17-15(11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(14)16(13)18/h1-10H	C16H10O3	250.249	3	0	43.37	3	2	0	-0.9305	3.42387	2.89	4.859	20.6513	75.0685	1.8263	229.06538840675
Cond-008170	NPD8184	NPD8184	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2640793402	Cc1cc2c(oc(cc2=O)c2ccco2)cc1	InChI=1S/C14H10O3/c1-9-4-5-12-10(7-9)11(15)8-14(17-12)13-3-2-6-16-13/h2-8H,1H3	C14H10O3	226.227	3	0	39.44	3	1	0	-0.0156999999999998	3.21029	2.67	3.6	23.6575	65.746	1.6305	199.746336556617
Cond-008171	NPD8185	NPD8185	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5088296311	COc1cc2c([nH]cc2CCNC(=O)c2ccccc2)cc1	InChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(11-15)14(12-20-17)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)	C18H18N2O2	294.348	4	2	54.12	3	6	0	-0.839799999999999	3.04068	3	4.088	27.2213	91.8247	2.292	268.597110075057
Cond-008172	NPD8186	NPD8186	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0047057633	Cc1c(Cn2ccnc2)c2c(cccc2)n1CCC(=O)O	InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	C16H17N3O2	283.325	5	1	60.05	3	5	0	0.2841	2.89501	2.67	2.335	32.7214	82.6888	2.153	247.63835973229
Cond-008173	NPD8187	NPD8187	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0598087335	Cn1ncc2c(NCCc3c[nH]c4c3cccc4)ncnc12	InChI=1S/C16H16N6/c1-22-16-13(9-21-22)15(19-10-20-16)17-7-6-11-8-18-14-5-3-2-4-12(11)14/h2-5,8-10,18H,6-7H2,1H3,(H,17,19,20)	C16H16N6	292.338	6	2	71.42	4	4	0	-0.4581	3.63806	2.56	1.934	24.3587	91.3927	2.1834	237.155269554068
Cond-008174	NPD8188	NPD8188	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7415878156	CCCCNCC(=O)c1c[nH]c2c1cccc2	InChI=1S/C14H18N2O/c1-2-3-8-15-10-14(17)12-9-16-13-7-5-4-6-11(12)13/h4-7,9,15-16H,2-3,8,10H2,1H3	C14H18N2O	230.306	3	2	44.89	2	6	0	-1.8195	2.63198	2.67	3.017	32.9421	74.9017	1.9073	221.788779674228
Cond-008175	NPD8189	NPD8189	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0148256844	OC(=O)/C=C/C(=O)NCCc1c[nH]c2c1cccc2	InChI=1S/C14H14N2O3/c17-13(5-6-14(18)19)15-8-7-10-9-16-12-4-2-1-3-11(10)12/h1-6,9,16H,7-8H2,(H,15,17)(H,18,19)/b6-5+	C14H14N2O3	258.273	5	3	82.19	2	6	0	-0.7734	1.55077	2.45	1.661	37.2932	76.2345	1.9387	234.09631567375
Cond-008176	NPD819	NPD819	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.9931151583	COc1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1	InChI=1S/C23H18O5/c1-25-17-7-9-18(10-8-17)28-22-15-27-21-13-19(11-12-20(21)23(22)24)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3	C23H18O5	374.386	5	0	53.99	4	6	1	-1.2663	5.32636	3.44	6.699	31.1193	109.997	2.7354	339.188358086541
Cond-008177	NPD8190	NPD8190	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4601022112	C(Cc1c[nH]c2c1cccc2)N1CCSC1	InChI=1S/C13H16N2S/c1-2-4-13-12(3-1)11(9-14-13)5-6-15-7-8-16-10-15/h1-4,9,14H,5-8,10H2	C13H16N2S	232.345	2	1	44.33	3	3	0	0.4793	2.2348	2.56	2.753	36.8138	71.333	1.8056	204.4915924054
Cond-008178	NPD8191	NPD8191	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0148256844	COc1cc2c([nH]cc2CCNC(=O)CCl)cc1	InChI=1S/C13H15ClN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)	C13H15ClN2O2	266.723	4	2	54.12	2	6	0	-0.2973	2.23118	2.34	1.579	37.3989	77.0007	1.9475	228.494089519356
Cond-008179	NPD8192	NPD8192	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6954915752	CC(Cc1c[nH]c2c1cccc2)NC(=O)N	InChI=1S/C12H15N3O/c1-8(15-12(13)16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H3,13,15,16)	C12H15N3O	217.267	4	4	70.91	2	4	0	-0.9848	1.28848	2.34	1.579	27.4046	68.5111	1.7253	198.193570630661
Cond-008180	NPD8193	NPD8193	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	13.631533674	O=C1NCCc2c1[nH]c1c2cc(cc1)C#Cc1ccccc1	InChI=1S/C19H14N2O/c22-19-18-15(10-11-20-19)16-12-14(8-9-17(16)21-18)7-6-13-4-2-1-3-5-13/h1-5,8-9,12,21H,10-11H2,(H,20,22)	C19H14N2O	286.327	3	2	44.89	4	0	1	-0.1976	2.41968	3.22	6.021	28.4689	89.5667	2.1796	259.473491897962
Cond-008181	NPD8194	NPD8194	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5189495522	O=Cc1cc2c(cc1)N(Cc1ccccc1)CC2	InChI=1S/C16H15NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2	C16H15NO	237.296	2	0	20.31	3	3	0	0.0996000000000001	3.21778	3	4.791	23.0681	75.715	1.8947	227.754612615395
Cond-008182	NPD8196	NPD8196	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9267317715	CCOC(=O)CC(=O)c1c[nH]c2c1cccc2	InChI=1S/C13H13NO3/c1-2-17-13(16)7-12(15)10-8-14-11-6-4-3-5-9(10)11/h3-6,8,14H,2,7H2,1H3	C13H13NO3	231.247	4	1	59.16	2	5	0	-0.3878	2.46098	2.45	2.906	29.4774	68.5955	1.741	208.440029540517
Cond-008183	NPD8197	NPD8197	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8742599808	OC(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	InChI=1S/C11H7NO5/c13-9-6-3-5(10(14)15)1-2-8(6)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)	C11H7NO5	233.177	6	3	103.7	2	2	0	-1.4126	1.45617	2.01	1.466	31.4248	60.0678	1.5336	199.692054989106
Cond-008184	NPD8198	NPD8198	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9698426352	Oc1ccccc1c1nc2c(cccc2)c(=O)[nH]1	InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)	C14H10N2O2	238.241	4	2	61.69	3	1	0	-1.0604	2.07998	2.56	3.178	16.2047	72.0485	1.7284	210.313171571589
Cond-008185	NPD8199	NPD8199	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1216414512	Cn1c(=O)c(CCC(=O)O)nc2ccccc12	InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)	C12H12N2O3	232.235	5	1	69.97	2	3	0	-0.808300000000001	1.73188	2.23	1.121	36.059	67.8748000000001	1.6999	213.040805122817
Cond-008186	NPD82	NPD82	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.5338659257	CCCC(C)(C)OOC(C)(C)C#CC1(CC2CC1C(C)C2(C)C)OC(=O)C(=C)C	InChI=1S/C25H40O4/c1-11-12-22(5,6)28-29-23(7,8)13-14-25(27-21(26)17(2)3)16-19-15-20(25)18(4)24(19,9)10/h18-20H,2,11-12,15-16H2,1,3-10H3	C25H40O4	404.583	4	0	44.76	2	8	1	3.96859999999999	6.09517000000001	3.77	6.94	109.8818	118.136	3.4767	440.858228944914
Cond-008187	NPD820	NPD820	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	89.6052845812	COc1ccc(Oc2coc3cc(OC(C)C(=O)OC(C)C)ccc3c2=O)cc1	InChI=1S/C22H22O7/c1-13(2)27-22(24)14(3)28-17-9-10-18-19(11-17)26-12-20(21(18)23)29-16-7-5-15(25-4)6-8-16/h5-14H,1-4H3	C22H22O7	398.406	7	0	80.29	3	8	0	-1.4226	5.57205	3.11	4.903	57.1156	113.5795	2.9065	368.002202964196
Cond-008188	NPD8200	NPD8200	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.20897637	COc1cc2c(cc1OC)/C(=C/C(=O)Nc1c(C)cc(C)cc1)/NC(C)(C)C2	InChI=1S/C23H28N2O3/c1-14-7-8-18(15(2)9-14)24-22(26)12-19-17-11-21(28-6)20(27-5)10-16(17)13-23(3,4)25-19/h7-12,25H,13H2,1-6H3,(H,24,26)/b19-12-	C23H28N2O3	380.48	5	2	59.59	3	5	1	0.9548	4.36972000000001	3.44	5.299	64.4711	113.4834	3.0552	374.767259904952
Cond-008189	NPD8201	NPD8201	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6220209482	CC1(C)Cc2c(cccc2)C2=CC(=O)C(=O)N12	InChI=1S/C14H13NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-7H,8H2,1-2H3	C14H13NO2	227.259	3	0	37.38	3	0	0	-0.0690000000000016	1.82468	2.67	3.067	40.8813	66.236	1.7146	215.489328765023
Cond-008190	NPD8202	NPD8202	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8660122451	CC(C)CCC(C(=O)N)C1=NC(C)(C)Cc2c1cccc2	InChI=1S/C18H26N2O/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21)	C18H26N2O	286.412	3	2	55.45	2	5	0	1.1143	3.58199	3.11	4.514	59.3602	90.7614000000001	2.4709	301.872718177696
Cond-008191	NPD8203	NPD8203	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.4699185346	CC1(C)C(OC(=O)C2(CCCCC2)C1=O)/C=C/c1ccccc1	InChI=1S/C20H24O3/c1-19(2)16(12-11-15-9-5-3-6-10-15)23-18(22)20(17(19)21)13-7-4-8-14-20/h3,5-6,9-12,16H,4,7-8,13-14H2,1-2H3/b12-11+	C20H24O3	312.403	3	0	43.37	3	2	1	-0.132300000000001	4.22218000000001	3.33	6.522	60.065	91.843	2.5189	317.058703012618
Cond-008192	NPD8204	NPD8204	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9747001973	CC(NC1=NC(C)(C)Cc2c1cccc2)C(=O)O	InChI=1S/C14H18N2O2/c1-9(13(17)18)15-12-11-7-5-4-6-10(11)8-14(2,3)16-12/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,18)	C14H18N2O2	246.305	4	2	61.69	2	3	0	0.0930999999999988	2.06449	2.56	3.307	43.662	74.2385	1.966	241.479006374789
Cond-008193	NPD8205	NPD8205	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2644335374	COc1cc2c(C=NC3(CCCCC3)C2)cc1OC	InChI=1S/C16H21NO2/c1-18-14-8-12-10-16(6-4-3-5-7-16)17-11-13(12)9-15(14)19-2/h8-9,11H,3-7,10H2,1-2H3	C16H21NO2	259.343	3	0	30.82	3	2	0	-0.4543	3.27939	2.89	3.185	46.8786	77.4750000000001	2.0824	255.354215418356
Cond-008194	NPD8206	NPD8206	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3697819157	C=CCC1NC2(CCCCC2)Cc2c1cccc2	InChI=1S/C17H23N/c1-2-8-16-15-10-5-4-9-14(15)13-17(18-16)11-6-3-7-12-17/h2,4-5,9-10,16,18H,1,3,6-8,11-13H2	C17H23N	241.371	1	1	12.03	3	2	1	0.175799999999999	3.73749	3.22	5.412	45.9929	75.6047000000001	2.1059	255.069746643101
Cond-008195	NPD821	NPD821	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7198524544	CC(NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	InChI=1S/C22H25N3O4/c1-15(23-22(28)29-14-16-6-3-2-4-7-16)21(27)24-11-17-10-18(13-24)19-8-5-9-20(26)25(19)12-17/h2-9,15,17-18H,10-14H2,1H3,(H,23,28)/t15?,17-,18+/m0/s1	C22H25N3O4	395.452	7	1	78.95	4	7	0	-1.5807	1.17277	3.11	2.554	82.1069	107.8957	2.9642	375.801803487013
Cond-008196	NPD822	NPD822	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4319834364	CCCCCCc1c(OC(=O)c2c(C)cc(C)cc2C)cc2occ(c(=O)c2c1)c1ccc(Cl)cc1	InChI=1S/C31H31ClO4/c1-5-6-7-8-9-23-16-25-28(35-18-26(30(25)33)22-10-12-24(32)13-11-22)17-27(23)36-31(34)29-20(3)14-19(2)15-21(29)4/h10-18H,5-9H2,1-4H3	C31H31ClO4	503.028	4	0	52.6	4	9	1	0.874199999999998	8.22423000000001	4.32	10.946	66.1294	147.3435	3.8833	481.340617462547
Cond-008197	NPD823	NPD823	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1173214244	COc1cccc(OC)c1C(=O)Oc1ccc2c(=O)c(Oc3cc(C)ccc3)coc2c1	InChI=1S/C25H20O7/c1-15-6-4-7-16(12-15)31-22-14-30-21-13-17(10-11-18(21)24(22)26)32-25(27)23-19(28-2)8-5-9-20(23)29-3/h4-14H,1-3H3	C25H20O7	432.422	7	0	80.29	4	7	1	-0.624700000000001	5.84347	3.44	6.769	43.8976	123.6325	3.0916	388.724322038596
Cond-008198	NPD824	NPD824	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	81.4086014002	CC(C)COC(=O)C(C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3)coc2c1	InChI=1S/C23H24O6/c1-14(2)12-27-23(25)16(4)28-18-8-9-19-20(11-18)26-13-21(22(19)24)29-17-7-5-6-15(3)10-17/h5-11,13-14,16H,12H2,1-4H3	C23H24O6	396.433	6	0	71.06	3	8	1	-0.196499999999999	5.07278000000001	3.33	6.076	59.0866	112.954	2.9887	376.507960889502
Cond-008199	NPD825	NPD825	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.663604311	COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[N+](C)(CC(=O)N)CC2	InChI=1S/C22H25N3O5/c1-13-6-4-5-7-15(13)24-22(27)19-18-14(8-9-25(19,2)11-17(23)26)10-16-20(21(18)28-3)30-12-29-16/h4-7,10,19H,8-9,11-12H2,1-3H3,(H2-,23,24,26,27)/p+1	C22H26N3O5+	412.459	8	3	99.88	4	6	0	-2.4154	2.72281	3	1.163	57.9185	114.6875	3.0444	375.010259537975
Cond-008200	NPD826	NPD826	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6999511548	COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(C)cc(=O)oc2c1	InChI=1S/C24H22N2O6/c1-14-9-23(28)32-21-11-16(7-8-17(14)21)31-13-22(27)26-20(24(29)30-2)10-15-12-25-19-6-4-3-5-18(15)19/h3-9,11-12,20,25H,10,13H2,1-2H3,(H,26,27)	C24H22N2O6	434.441	8	2	106.72	4	9	0	-0.778200000000002	3.24476	3.22	3.378	57.9164	122.8877	3.1346	387.268089829302
Cond-008201	NPD827	NPD827	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	29.8292473529	Clc1ccc(cc1)N1C(=O)C2Cc3c(CN2C1=O)[nH]c1c3cccc1	InChI=1S/C19H14ClN3O2/c20-11-5-7-12(8-6-11)23-18(24)17-9-14-13-3-1-2-4-15(13)21-16(14)10-22(17)19(23)25/h1-8,17,21H,9-10H2	C19H14ClN3O2	351.786	5	1	56.41	5	1	0	-0.5104	3.42367	2.89	3.648	36.7001	99.663	2.3949	284.751546577124
Cond-008202	NPD828	NPD828	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.1007597954	COc1c2OCOc2cc2c1C(C(=O)Nc1cc(C)ccc1)[N+](C)(C)CC2	InChI=1S/C21H24N2O4/c1-13-6-5-7-15(10-13)22-21(24)18-17-14(8-9-23(18,2)3)11-16-19(20(17)25-4)27-12-26-16/h5-7,10-11,18H,8-9,12H2,1-4H3/p+1	C21H25N2O4+	369.434	6	1	56.79	4	4	0	-1.4765	4.31339	3.11	2.72	51.6117	108.3451	2.788	340.56374670418
Cond-008203	NPD83	NPD83	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.2249358839	CCCCNC(=O)OC[C@@]12COC(C([C@H]1C)C(=CC2C)C)c1ccc2OCOc2c1	InChI=1S/C24H33NO5/c1-5-6-9-25-23(26)28-13-24-12-27-22(21(17(24)4)15(2)10-16(24)3)18-7-8-19-20(11-18)30-14-29-19/h7-8,10-11,16-17,21-22H,5-6,9,12-14H2,1-4H3,(H,25,26)/t16?,17-,21?,22?,24-/m1/s1	C24H33NO5	415.523	6	1	66.02	4	8	0	-0.3042	4.53147000000001	3.44	4.605	85.005	117.3917	3.2341	405.099855125375
Cond-008204	NPD830	NPD830	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9586650563	COc1c(cccc1)c1coc2cc(OC(=O)c3ccccc3)ccc2c1=O	InChI=1S/C23H16O5/c1-26-20-10-6-5-9-17(20)19-14-27-21-13-16(11-12-18(21)22(19)24)28-23(25)15-7-3-2-4-8-15/h2-14H,1H3	C23H16O5	372.37	5	0	61.83	4	5	1	-0.8096	5.31786	3.44	6.691	28.9128	109.8535	2.6924	336.55189938574
Cond-008205	NPD832	NPD832	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4798455563	COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1	InChI=1S/C29H22O8/c1-32-24-13-19(14-25(33-2)28(24)34-3)29(31)37-21-10-11-22-23(15-21)35-16-26(27(22)30)36-20-9-8-17-6-4-5-7-18(17)12-20/h4-16H,1-3H3	C29H22O8	498.48	8	0	89.52	5	8	1	-1.3185	6.97725	3.77	7.324	45.7113	144.0505	3.51930000000001	438.169111140224
Cond-008206	NPD833	NPD833	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6745749308	O=C(Oc1ccc2c(occ(Oc3ccc4ccccc4c3)c2=O)c1)c1cccnc1	InChI=1S/C25H15NO5/c27-24-21-10-9-20(31-25(28)18-6-3-11-26-14-18)13-22(21)29-15-23(24)30-19-8-7-16-4-1-2-5-17(16)12-19/h1-15H	C25H15NO5	409.39	6	0	74.72	5	5	1	-1.1631	6.34645	3.55	7.26	23.7639	122.1895	2.8794	353.611252743241
Cond-008207	NPD834	NPD834	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0149791827	COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C25H24O6/c1-27-21-14-18(11-10-17-8-6-5-7-9-17)12-13-20(21)31-25(26)19-15-22(28-2)24(30-4)23(16-19)29-3/h5-16H,1-4H3/b11-10+	C25H24O6	420.454	6	0	63.22	3	9	1	0.169500000000002	5.28817	3.55	7.494	45.8735	122.649	3.1845	394.927012739635
Cond-008208	NPD835	NPD835	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.9948926511	C[C@]12CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(CC1)C(=O)O	InChI=1S/C33H45NO9/c1-31-13-11-22(35)15-21(31)7-8-23-24-12-14-33(42,32(24,2)16-25(36)29(23)31)26(37)18-43-28(39)10-9-27(38)34-17-19-3-5-20(6-4-19)30(40)41/h11,13,15,19-20,23-25,29,36,42H,3-10,12,14,16-18H2,1-2H3,(H,34,38)(H,40,41)/t19?,20?,23?,24?,25?,29?,31-,32-,33+/m0/s1	C33H45NO9	599.712	10	4	167.3	5	11	1	-0.710300000000004	2.98217000000001	3.99	1.356	153.6257	156.9521	4.5424	589.195247458018
Cond-008209	NPD836	NPD836	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6587463952	COc1ccc(OCC(=O)Oc2ccc3c4c(CCC4)c(=O)oc3c2)cc1	InChI=1S/C21H18O6/c1-24-13-5-7-14(8-6-13)25-12-20(22)26-15-9-10-17-16-3-2-4-18(16)21(23)27-19(17)11-15/h5-11H,2-4,12H2,1H3	C21H18O6	366.364	6	0	71.06	4	6	0	-0.6765	4.58886	3.11	3.904	46.6011	103.275	2.5983	329.559532936968
Cond-008210	NPD837	NPD837	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9687856163	[C@@H]12CC(=O)/C(=C(/C)\NC(=O)CCn3c(=O)sc4c3cccc4)/[C@@H]1C2(C)C	InChI=1S/C20H22N2O3S/c1-11(17-14(23)10-12-18(17)20(12,2)3)21-16(24)8-9-22-13-6-4-5-7-15(13)26-19(22)25/h4-7,12,18H,8-10H2,1-3H3,(H,21,24)/b17-11+/t12-,18-/m1/s1	C20H22N2O3S	370.465	5	1	91.78	4	5	0	0.800100000000001	3.66417	3	3.044	76.9148	97.3782	2.7304	342.568330084952
Cond-008211	NPD838	NPD838	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.248402175	Clc1cc(ccc1)N1C(=O)C2Cc3c(CN2C1=O)[nH]c1c3cccc1	InChI=1S/C19H14ClN3O2/c20-11-4-3-5-12(8-11)23-18(24)17-9-14-13-6-1-2-7-15(13)21-16(14)10-22(17)19(23)25/h1-8,17,21H,9-10H2	C19H14ClN3O2	351.786	5	1	56.41	5	1	0	-0.5104	3.42367	2.89	3.648	36.7001	99.663	2.3949	284.751546577124
Cond-008212	NPD839	NPD839	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8143573092	COc1ccc(cc1)c1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCc1ccc(OC)c(OC)c1	InChI=1S/C26H27N5O5/c1-28-23-22(24(32)29(2)26(28)33)31-15-19(17-7-9-18(34-3)10-8-17)30(25(31)27-23)13-12-16-6-11-20(35-4)21(14-16)36-5/h6-11,14-15H,12-13H2,1-5H3	C26H27N5O5	489.523	10	0	89.37	5	7	0	-0.908399999999997	3.65097	3.22	4.629	72.0729	138.085	3.5485	433.703654304175
Cond-008213	NPD84	NPD84	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.884990069	COC(=O)c1ccc(cc1)N1C(c2ccc(OC)cc2)c2c(CC1=O)cc(OC)c(OC)c2	InChI=1S/C26H25NO6/c1-30-20-11-7-16(8-12-20)25-21-15-23(32-3)22(31-2)13-18(21)14-24(28)27(25)19-9-5-17(6-10-19)26(29)33-4/h5-13,15,25H,14H2,1-4H3	C26H25NO6	447.48	7	0	74.3	4	7	0	-0.7946	3.78829	3.55	4.306	49.3244	124.671	3.3166	410.863298872869
Cond-008214	NPD840	NPD840	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7798427448	COc1ccc(cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1	InChI=1S/C27H18O6/c1-30-20-9-7-18(8-10-20)27(29)33-22-12-13-23-24(15-22)31-16-25(26(23)28)32-21-11-6-17-4-2-3-5-19(17)14-21/h2-16H,1H3	C27H18O6	438.428	6	0	71.06	5	6	1	-1.2149	6.96005	3.77	8.212	31.0797	130.9465	3.12010000000001	385.996688487368
Cond-008215	NPD842	NPD842	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4249994185	Cc1cc(Cl)ccc1OC(=O)COc1cc2c(cc1)c(C)cc(=O)o2	InChI=1S/C19H15ClO5/c1-11-8-18(21)25-17-9-14(4-5-15(11)17)23-10-19(22)24-16-6-3-13(20)7-12(16)2/h3-9H,10H2,1-2H3	C19H15ClO5	358.772	5	0	61.83	3	5	0	1.6557	4.78219	2.89	4.356	44.4077	98.519	2.4888	313.744863455907
Cond-008216	NPD843	NPD843	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.610140248	C/C(=N\O)/[C@]1([C@H](O)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)[n+]1ccccc1	InChI=1S/C26H36N2O3/c1-17(27-31)26(28-13-5-4-6-14-28)23(30)16-22-20-8-7-18-15-19(29)9-11-24(18,2)21(20)10-12-25(22,26)3/h4-7,13-14,19-23,29-30H,8-12,15-16H2,1-3H3/p+1/b27-17+/t19?,20?,21?,22?,23-,24+,25+,26-/m1/s1	C26H37N2O3+	425.584	5	3	76.93	5	2	0	-2.0475	4.11078000000001	3.77	4.281	95.1024	120.7553	3.4112	422.069901833753
Cond-008217	NPD844	NPD844	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.9046356384	Cc1cc(=O)oc2cc(OC(=O)COc3cc(C)c(Cl)cc3)ccc12	InChI=1S/C19H15ClO5/c1-11-8-18(21)25-17-9-14(3-5-15(11)17)24-19(22)10-23-13-4-6-16(20)12(2)7-13/h3-9H,10H2,1-2H3	C19H15ClO5	358.772	5	0	61.83	3	5	0	1.6557	4.72748	2.89	4.356	44.4077	98.253	2.4888	313.744863455907
Cond-008218	NPD846	NPD846	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.962953834	COc1ccc(Oc2coc3cc(OCc4cc(Cl)ccc4)ccc3c2=O)cc1	InChI=1S/C23H17ClO5/c1-26-17-5-7-18(8-6-17)29-22-14-28-21-12-19(9-10-20(21)23(22)25)27-13-15-3-2-4-16(24)11-15/h2-12,14H,13H2,1H3	C23H17ClO5	408.831	5	0	53.99	4	6	1	-0.522	5.97976	3.33	6.162	36.7349	115.007	2.8578	354.399425856974
Cond-008219	NPD847	NPD847	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4519340358	Cc1ccc(cc1)N1COc2ccc3c(cc(=O)oc3c2C1)c1ccccc1	InChI=1S/C24H19NO3/c1-16-7-9-18(10-8-16)25-14-21-22(27-15-25)12-11-19-20(13-23(26)28-24(19)21)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3	C24H19NO3	369.413	4	0	38.77	5	2	1	0.5926	5.71688	3.66	7.616	34.2804	113.595	2.7501	337.544190818652
Cond-008220	NPD848	NPD848	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.9447119298	CCCCCCc1c(OC(=O)c2c(OC)cccc2OC)cc2occ(c(=O)c2c1)c1ccc(Cl)cc1	InChI=1S/C30H29ClO6/c1-4-5-6-7-9-20-16-22-27(36-18-23(29(22)32)19-12-14-21(31)15-13-19)17-26(20)37-30(33)28-24(34-2)10-8-11-25(28)35-3/h8,10-18H,4-7,9H2,1-3H3	C30H29ClO6	521.001	6	0	71.06	4	11	2	-1.1554	8.10266000000001	3.99	9.01	64.2547	149.2615	3.8598	481.625086237802
Cond-008221	NPD849	NPD849	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2742352912	CCCCCCc1c(OC(=O)c2cccc(C)c2)cc2occ(c(=O)c2c1)c1ccc(Cl)cc1	InChI=1S/C29H27ClO4/c1-3-4-5-6-9-21-16-24-27(17-26(21)34-29(32)22-10-7-8-19(2)15-22)33-18-25(28(24)31)20-11-13-23(30)14-12-20/h7-8,10-18H,3-6,9H2,1-2H3	C29H27ClO4	474.975	4	0	52.6	4	9	1	-0.4098	8.11348000000001	4.1	10.3	55.1252	139.7975	3.6015	446.748648210814
Cond-008222	NPD85	NPD85	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7825869402	COc1ccccc1C(CCN[C@H](C)c1ccccc1)C1CCOC(C)(C)C1	InChI=1S/C25H35NO2/c1-19(20-10-6-5-7-11-20)26-16-14-22(21-15-17-28-25(2,3)18-21)23-12-8-9-13-24(23)27-4/h5-13,19,21-22,26H,14-18H2,1-4H3/t19-,21?,22?/m1/s1	C25H35NO2	381.551	3	1	30.49	3	8	1	-0.862100000000002	5.88459000000001	3.88	7.249	61.7882	117.2497	3.2645	394.845159649558
Cond-008223	NPD850	NPD850	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6531063196	CC(C)CN(CC(C)C)Cc1c2oc(=O)cc(c3ccccc3)c2ccc1O	InChI=1S/C24H29NO3/c1-16(2)13-25(14-17(3)4)15-21-22(26)11-10-19-20(12-23(27)28-24(19)21)18-8-6-5-7-9-18/h5-12,16-17,26H,13-15H2,1-4H3	C24H29NO3	379.492	4	1	49.77	3	7	1	0.807899999999999	5.49467000000001	3.66	6.46	63.4499	118.387	3.0963	381.066484322652
Cond-008224	NPD851	NPD851	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2892796502	COc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1	InChI=1S/C24H18O7/c1-27-16-5-3-15(4-6-16)24(26)31-19-11-12-20-21(13-19)29-14-22(23(20)25)30-18-9-7-17(28-2)8-10-18/h3-14H,1-2H3	C24H18O7	418.396	7	0	80.29	4	7	1	-1.2667	5.81545	3.33	5.681	38.3955	119.9925	2.9507	371.42833741273
Cond-008225	NPD852	NPD852	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5165019349	Cc1cccc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1	InChI=1S/C25H20O6/c1-17-6-5-9-20(12-17)31-23-15-29-22-13-19(10-11-21(22)25(23)27)28-16-24(26)30-14-18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3	C25H20O6	416.423	6	0	71.06	4	8	1	-0.865400000000001	5.65527	3.55	7.38	40.1593	120.3265	3.0329	379.934095338035
Cond-008226	NPD853	NPD853	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2709976043	CCCCCOC(=O)COc1ccc2c(=O)c(coc2c1)c1ccc(Cl)cc1	InChI=1S/C22H21ClO5/c1-2-3-4-11-26-21(24)14-27-17-9-10-18-20(12-17)28-13-19(22(18)25)15-5-7-16(23)8-6-15/h5-10,12-13H,2-4,11,14H2,1H3	C22H21ClO5	400.852	5	0	61.83	3	9	1	-1.1705	6.12116	3.22	5.675	52.7394	113.1115	2.9115	365.632817333507
Cond-008227	NPD854	NPD854	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.110518476	CCOC(=O)c1c(oc2ccc(OC/C=C/c3ccccc3)cc12)c1ccc(OC)cc1	InChI=1S/C27H24O5/c1-3-30-27(28)25-23-18-22(31-17-7-10-19-8-5-4-6-9-19)15-16-24(23)32-26(25)20-11-13-21(29-2)14-12-20/h4-16,18H,3,17H2,1-2H3/b10-7+	C27H24O5	428.476	5	0	57.9	4	9	1	0.381000000000001	6.13747000000001	3.88	8.184	41.867	130.136	3.256	394.835837889208
Cond-008228	NPD855	NPD855	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7456729405	COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(Cl)cc1)N(C)CC2	InChI=1S/C24H23ClN4O6/c1-28-8-7-13-9-18-20(35-12-34-18)21(33-2)19(13)17(28)11-26-10-16-22(30)27-24(32)29(23(16)31)15-5-3-14(25)4-6-15/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,32)/b16-10-	C24H23ClN4O6	498.916	10	2	109.44	5	5	0	-0.8102	3.76516	2.89	2.735	77.7381	133.7614	3.391	425.652678016069
Cond-008229	NPD856	NPD856	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.6032188177	COc1ccc(cc1)c1cc(=O)oc2cc(OCc3cc(ccc3)C(F)(F)F)ccc12	InChI=1S/C24H17F3O4/c1-29-18-7-5-16(6-8-18)21-13-23(28)31-22-12-19(9-10-20(21)22)30-14-15-3-2-4-17(11-15)24(25,26)27/h2-13H,14H2,1H3	C24H17F3O4	426.385	4	0	44.76	4	6	1	0.9782	5.51507	3.33	7.382	35.3968	110.634	2.8707	365.896792562765
Cond-008230	NPD857	NPD857	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	18.7907785994	COc1cccc(COc2ccc3c(oc(=O)c4c3ccc(OC)c4)c2)c1	InChI=1S/C22H18O5/c1-24-15-5-3-4-14(10-15)13-26-17-7-9-19-18-8-6-16(25-2)11-20(18)22(23)27-21(19)12-17/h3-12H,13H2,1-2H3	C22H18O5	362.375	5	0	53.99	4	5	0	-0.3372	4.66048	3.33	4.797	27.2546	105.925	2.6375	324.528832161474
Cond-008231	NPD858	NPD858	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4112064755	OC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1	InChI=1S/C23H26N2O4S/c26-20(27)14-8-7-13-19-21(25-23(29)17-11-5-2-6-12-17)18(15-30-19)24-22(28)16-9-3-1-4-10-16/h1-6,9-12,18-19,21H,7-8,13-15H2,(H,24,28)(H,25,29)(H,26,27)/t18-,19-,21-/m1/s1	C23H26N2O4S	426.529	6	3	120.8	3	11	2	-1.8876	3.57789	3.22	6.025	58.0857	120.9852	3.23440000000001	399.430051962313
Cond-008232	NPD859	NPD859	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2425990731	COC(=O)C(Cc1cc(c(O)cc1)N(=O)=O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C35H44N2O12/c1-33-12-10-21(38)16-20(33)5-6-22-23-11-13-35(45,34(23,2)17-27(40)31(22)33)28(41)18-49-30(43)9-8-29(42)36-24(32(44)48-3)14-19-4-7-26(39)25(15-19)37(46)47/h4,7,15-16,22-24,27,31,39-40,45H,5-6,8-14,17-18H2,1-3H3,(H,36,42)/t22?,23?,24?,27?,31?,33-,34-,35-/m0/s1	C35H44N2O12	684.73	14	4	219.67	5	14	1	-1.2013	3.01667000000001	3.77	2.245	143.2649	177.9273	4.9711	642.3452809172
Cond-008233	NPD86	NPD86	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.6278965911	CCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C	InChI=1S/C25H36O4/c1-6-20(27)25-21(28-22(2,3)29-25)14-19-17-8-7-15-13-16(26)9-11-23(15,4)18(17)10-12-24(19,25)5/h13,17-19,21H,6-12,14H2,1-5H3/t17?,18?,19?,21-,23+,24+,25-/m1/s1	C25H36O4	400.551	4	0	52.6	5	2	0	0.361599999999996	5.15768000000001	3.77	4.1	111.895	113.132	3.1939	406.425311543314
Cond-008234	NPD860	NPD860	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.55036849	Cc1cc(=O)oc2c1ccc1c2C(=O)/C(=C/c2cc(Br)ccc2O)/O1	InChI=1S/C19H11BrO5/c1-9-6-16(22)25-19-12(9)3-5-14-17(19)18(23)15(24-14)8-10-7-11(20)2-4-13(10)21/h2-8,21H,1H3/b15-8-	C19H11BrO5	399.192	5	1	72.83	4	1	0	0.748	4.96325	2.89	4.021	48.5923	99.7113	2.3898	302.82449726144
Cond-008235	NPD861	NPD861	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	19.813030621	CC1N2C(Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccc(Cl)cc1	InChI=1S/C20H16ClN3O2/c1-11-18-15(14-4-2-3-5-16(14)22-18)10-17-19(25)24(20(26)23(11)17)13-8-6-12(21)7-9-13/h2-9,11,17,22H,10H2,1H3	C20H16ClN3O2	365.813	5	1	56.41	5	1	0	-0.5211	3.98307	3	4.108	41.2845	104.352	2.5358	302.047531202991
Cond-008236	NPD862	NPD862	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	69.2519389542	COc1ccc(CNCCC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1	InChI=1S/C27H33NO2/c1-20(2)30-26-15-11-24(12-16-26)27(23-9-5-21(3)6-10-23)17-18-28-19-22-7-13-25(29-4)14-8-22/h5-16,20,27-28H,17-19H2,1-4H3	C27H33NO2	403.556	3	1	30.49	3	10	1	-0.327799999999998	5.96681000000001	4.1	9.034	49.048	123.8267	3.4173	410.627752798892
Cond-008237	NPD863	NPD863	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.969772	COc1cc2c(cc1OC)C1C/C(=N\CC(=O)O)/C3=C(CC(C)(C)CC3=O)N1CC2	InChI=1S/C23H28N2O5/c1-23(2)10-17-22(18(26)11-23)15(24-12-21(27)28)9-16-14-8-20(30-4)19(29-3)7-13(14)5-6-25(16)17/h7-8,16H,5-6,9-12H2,1-4H3,(H,27,28)/b24-15+	C23H28N2O5	412.479	7	1	88.43	4	4	0	0.445800000000001	2.89217	3.22	1.95	89.7258	115.3098	3.107	393.527713306075
Cond-008238	NPD864	NPD864	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9054346259	CC(C)C(=O)Oc1ccc2c(=O)c(c3nc4c(s3)cccc4)c(oc2c1C)C(C)C	InChI=1S/C24H23NO4S/c1-12(2)21-19(23-25-16-8-6-7-9-18(16)30-23)20(26)15-10-11-17(14(5)22(15)29-21)28-24(27)13(3)4/h6-13H,1-5H3	C24H23NO4S	421.509	5	0	93.73	4	5	1	1.8562	7.04078000000001	3.44	5.35	64.333	124.5015	3.1239	379.836358978413
Cond-008239	NPD865	NPD865	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.452645786	COc1c2OCOc2cc(CCN(C)C(=O)C)c1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(I)cc1	InChI=1S/C24H22IN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-	C24H22IN3O7	591.352	10	1	114.48	4	7	0	0.2077	3.79476	2.89	2.813	85.3848	138.9587	3.5513	443.231878408295
Cond-008240	NPD866	NPD866	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2375834956	COc1c2OCOc2c(C(=O)/C=C/c2ccc(Cl)cc2)c2c1CN(C)CC2	InChI=1S/C21H20ClNO4/c1-23-10-9-15-16(11-23)19(25-2)21-20(26-12-27-21)18(15)17(24)8-5-13-3-6-14(22)7-4-13/h3-8H,9-12H2,1-2H3/b8-5+	C21H20ClNO4	385.841	5	0	48	4	4	0	0.881399999999998	3.96298	3.11	3.294	58.4639	107.502	2.7461	340.823366215246
Cond-008241	NPD868	NPD868	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0745559169	CCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC)cc1	InChI=1S/C29H35NO3/c1-5-29(31)30(21-23-11-15-26(32-4)16-12-23)20-19-28(24-9-7-6-8-10-24)25-13-17-27(18-14-25)33-22(2)3/h6-18,22,28H,5,19-21H2,1-4H3	C29H35NO3	445.593	4	0	38.77	3	12	2	-1.0981	6.32089000000001	4.21	8.992	58.1353	135.37	3.7148	451.373490050386
Cond-008242	NPD87	NPD87	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8043052838	Brc1cc2c([nH]c3c2ncn(CCC2=CCCCC2)c3=O)cc1	InChI=1S/C18H18BrN3O/c19-13-6-7-15-14(10-13)16-17(21-15)18(23)22(11-20-16)9-8-12-4-2-1-3-5-12/h4,6-7,10-11,21H,1-3,5,8-9H2	C18H18BrN3O	372.259	4	1	48.46	4	3	0	0.0807999999999993	4.65206	2.89	4.364	60.2945	101.395	2.4425	291.267262560229
Cond-008243	NPD870	NPD870	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.535514991	[C@H]1(N2C=Cc3c(cccc3)[C@@H]2[C@H]2C(=O)N(C(=O)[C@@H]12)c1cc2c(OCO2)cc1)C(=O)C	InChI=1S/C23H18N2O5/c1-12(26)20-18-19(21-15-5-3-2-4-13(15)8-9-24(20)21)23(28)25(22(18)27)14-6-7-16-17(10-14)30-11-29-16/h2-10,18-21H,11H2,1H3/t18-,19+,20+,21-/m1/s1	C23H18N2O5	402.399	7	0	76.15	6	2	0	-1.8518	3.25766	3.22	3.426	57.0477	110.451	2.7608	350.005419802074
Cond-008244	NPD871	NPD871	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.4018040984	CCOc1ccc(CO[C@H]2[C@H](O[C@@H]3OC(C)(C)O[C@H]23)C2COC(C)(C)O2)cc1	InChI=1S/C21H30O7/c1-6-22-14-9-7-13(8-10-14)11-23-17-16(15-12-24-20(2,3)26-15)25-19-18(17)27-21(4,5)28-19/h7-10,15-19H,6,11-12H2,1-5H3/t15?,16-,17+,18-,19-/m1/s1	C21H30O7	394.459	7	0	64.61	4	6	0	-0.526999999999999	3.15969	3	3.044	75.7137	101.095	2.915	365.06851184233
Cond-008245	NPD872	NPD872	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.031672341	CCCC(=O)C1=C(CC(C)(C)C(C(=O)OC)C1=O)NCCCCCC(=O)O	InChI=1S/C20H31NO6/c1-5-9-14(22)16-13(21-11-8-6-7-10-15(23)24)12-20(2,3)17(18(16)25)19(26)27-4/h17,21H,5-12H2,1-4H3,(H,23,24)	C20H31NO6	381.463	7	2	109.77	1	12	1	-1.28	2.79258	2.89	2.49	94.9825	102.9315	3.055	392.675519424869
Cond-008246	NPD873	NPD873	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.000794202	CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc12	InChI=1S/C20H25NO6/c1-2-6-14-11-20(25)27-17-12-15(8-9-16(14)17)26-13-18(22)21-10-5-3-4-7-19(23)24/h8-9,11-12H,2-7,10,13H2,1H3,(H,21,22)(H,23,24)	C20H25NO6	375.416	7	2	101.93	2	12	1	-2.148	3.48107	2.89	2.932	67.8289	103.8125	2.8604	364.146143322469
Cond-008247	NPD874	NPD874	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.382586528	CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]23)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C	InChI=1S/C32H47NO14/c1-17(34)33-23-26(41-20(4)37)24(40-19(3)36)21(15-38-18(2)35)42-29(23)39-16-22-25-27(45-31(44-25)11-7-5-8-12-31)28-30(43-22)47-32(46-28)13-9-6-10-14-32/h21-30H,5-16H2,1-4H3,(H,33,34)/t21-,22-,23-,24-,25+,26-,27+,28-,29-,30-/m1/s1	C32H47NO14	669.714	15	1	172.61	6	12	2	-4.9028	2.13809	3.33	2.195	136.0277	159.1987	4.7154	611.403313736556
Cond-008248	NPD875	NPD875	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.7227427803	COC(=O)c1c(C)oc2c1cc(OC(=O)c1c(C)oc3ccc(OC(=O)C)cc13)cc2	InChI=1S/C23H18O8/c1-11-20(22(25)27-4)16-10-15(6-8-18(16)28-11)31-23(26)21-12(2)29-19-7-5-14(9-17(19)21)30-13(3)24/h5-10H,1-4H3	C23H18O8	422.384	8	0	105.18	4	7	0	0.409699999999999	4.54221	3.11	4.293	44.6994	116.9895	2.9115	354.659038188224
Cond-008249	NPD876	NPD876	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2271440632	COc1ccc(NC(=O)C2c3c(CC[N+]2(C)C)cc2OCOc2c3OC)cc1	InChI=1S/C21H24N2O5/c1-23(2)10-9-13-11-16-19(28-12-27-16)20(26-4)17(13)18(23)21(24)22-14-5-7-15(25-3)8-6-14/h5-8,11,18H,9-10,12H2,1-4H3/p+1	C21H25N2O5+	385.434	7	1	66.02	4	5	0	-2.1703	4.29397	3	1.742	53.4254	111.2571	2.8467	349.353973404741
Cond-008250	NPD877	NPD877	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8193114032	CCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C21H29NO7/c1-6-11-24-13-9-7-12(8-10-13)22-18(23)16-14-15(27-20(2,3)26-14)17-19(25-16)29-21(4,5)28-17/h7-10,14-17,19H,6,11H2,1-5H3,(H,22,23)/t14-,15+,16+,17-,19-/m1/s1	C21H29NO7	407.457	8	1	84.48	4	6	0	-1.7154	3.64438000000001	2.89	2.887	75.5686	106.8667	2.9718	373.428813349697
Cond-008251	NPD878	NPD878	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.133072407	COc1cc(cc(OC)c1OC)c1c(C(=O)C)c(C)nc2c1C(=O)c1c2cccc1	InChI=1S/C24H21NO5/c1-12-19(13(2)26)20(14-10-17(28-3)24(30-5)18(11-14)29-4)21-22(25-12)15-8-6-7-9-16(15)23(21)27/h6-11H,1-5H3	C24H21NO5	403.427	6	0	74.72	4	5	0	-0.233600000000001	4.6868	3.44	3.621	43.7963	117.6725	2.9761	367.481102920574
Cond-008252	NPD880	NPD880	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.795659949	COC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1	InChI=1S/C21H20O6/c1-12-18(26-13(2)21(23)25-4)10-9-16-17(11-19(22)27-20(12)16)14-5-7-15(24-3)8-6-14/h5-11,13H,1-4H3	C21H20O6	368.38	6	0	71.06	3	6	0	0.415899999999999	4.12169000000001	3.11	4.123	50.962	104.465	2.7069	341.915991637768
Cond-008253	NPD881	NPD881	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.6832220059	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCC(=O)O	InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h6,16-18,20-21H,4-5,7-14H2,1-3H3,(H,27,28)/t16-,17?,18?,20?,21?,24-,25+/m0/s1	C25H36O5	416.55	5	1	80.67	4	6	1	0.4918	5.09108000000001	3.66	5.679	110.1878	115.5968	3.3182	424.935538243875
Cond-008254	NPD882	NPD882	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	107.469307748	CC(C)C1=C(O)C(=O)/C(=C\Nc2cccc(c2)C(F)(F)F)/c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)C(=C(O)C(=O)/C/2=C\Nc1cc(ccc1)C(F)(F)F)C(C)C	InChI=1S/C44H38F6N2O6/c1-19(2)31-27-13-21(5)33(39(55)35(27)29(37(53)41(31)57)17-51-25-11-7-9-23(15-25)43(45,46)47)34-22(6)14-28-32(20(3)4)42(58)38(54)30(36(28)40(34)56)18-52-26-12-8-10-24(16-26)44(48,49)50/h7-20,51-52,55-58H,1-6H3/b29-17-,30-18-	C44H38F6N2O6	804.773	8	6	139.12	6	9	2	1.2576	11.40277	4.76	12.266	112.9186	209.6528	5.54060000000002	715.525007141271
Cond-008255	NPD883	NPD883	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.005003753	CCC(=O)N(CCC(c1ccc(C)cc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC(C)C)cc1	InChI=1S/C32H41NO3/c1-7-32(34)33(22-26-10-16-29(17-11-26)35-23(2)3)21-20-31(27-12-8-25(6)9-13-27)28-14-18-30(19-15-28)36-24(4)5/h8-19,23-24,31H,7,20-22H2,1-6H3	C32H41NO3	487.673	4	0	38.77	3	13	2	-0.5062	7.12751000000001	4.54	10.198	73.136	148.222	4.1375	503.261443927987
Cond-008256	NPD884	NPD884	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.0996852046	CCOC(=O)c1c(Nc2ccc(cc2)C(=O)OC)c2cc(ccc2nc1)C(=O)OC	InChI=1S/C22H20N2O6/c1-4-30-22(27)17-12-23-18-10-7-14(21(26)29-3)11-16(18)19(17)24-15-8-5-13(6-9-15)20(25)28-2/h5-12H,4H2,1-3H3,(H,23,24)	C22H20N2O6	408.404	8	1	103.82	3	9	0	-0.1364	4.70197	3	4.035	43.559	114.4087	2.9614	365.032579278369
Cond-008257	NPD885	NPD885	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7573179885	COc1cc(cc(OC)c1OC)C1NC(Cc2c1[nH]c1c2cc(OCc2ccccc2)cc1)C(=O)O	InChI=1S/C28H28N2O6/c1-33-23-11-17(12-24(34-2)27(23)35-3)25-26-20(14-22(30-25)28(31)32)19-13-18(9-10-21(19)29-26)36-15-16-7-5-4-6-8-16/h4-13,22,25,29-30H,14-15H2,1-3H3,(H,31,32)	C28H28N2O6	488.532	8	3	102.04	5	8	0	-1.5236	3.92088	3.66	4.693	53.6841	137.5325	3.58960000000001	433.195569631969
Cond-008258	NPD886	NPD886	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4614133248	CCOC(=O)c1c(Nc2ccc3OCCOc3c2)c2cc(ccc2nc1)C(=O)OC	InChI=1S/C22H20N2O6/c1-3-28-22(26)16-12-23-17-6-4-13(21(25)27-2)10-15(17)20(16)24-14-5-7-18-19(11-14)30-9-8-29-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,24)	C22H20N2O6	408.404	8	1	95.98	4	7	0	-0.4326	4.78217	3	3.379	44.2332	115.0792	2.8958	355.312579278369
Cond-008259	NPD887	NPD887	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.8838380273	[C@@H]1(C2C=Cc3c(cccc3)N2[C@@H](C(=O)C)[C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(CCCCC)cc1	InChI=1S/C33H32N2O3/c1-3-4-5-10-22-15-17-24(18-16-22)30(37)29-28-20-19-23-11-6-9-14-27(23)35(28)31(21(2)36)33(29)25-12-7-8-13-26(25)34-32(33)38/h6-9,11-20,28-29,31H,3-5,10H2,1-2H3,(H,34,38)/t28?,29-,31+,33+/m1/s1	C33H32N2O3	504.619	5	1	66.48	6	7	1	-2.1438	7.15986000000001	4.54	8.514	69.2362	153.3012	3.92340000000001	486.57543655722
Cond-008260	NPD888	NPD888	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7186103503	COc1c(OC)cc(cc1)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)C)O	InChI=1S/C20H25NO7/c1-12(22)17-18(13-8-9-14(27-2)15(11-13)28-3)21(20(26)19(17)25)10-6-4-5-7-16(23)24/h8-9,11,18,25H,4-7,10H2,1-3H3,(H,23,24)	C20H25NO7	391.415	8	2	113.37	2	10	0	-2.391	2.45218	2.78	2.302	72.1609	102.6346	2.9191	372.93637002303
Cond-008261	NPD889	NPD889	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2473824145	[C@@H]1(C2C=Cc3c(cccc3)N2[C@@H](C(=O)C)[C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(CCC)cc1	InChI=1S/C31H28N2O3/c1-3-8-20-13-15-22(16-14-20)28(35)27-26-18-17-21-9-4-7-12-25(21)33(26)29(19(2)34)31(27)23-10-5-6-11-24(23)32-30(31)36/h4-7,9-18,26-27,29H,3,8H2,1-2H3,(H,32,36)/t26?,27-,29+,31+/m1/s1	C31H28N2O3	476.566	5	1	66.48	6	5	1	-1.5678	6.37966000000001	4.32	7.376	63.413	144.0672	3.64160000000001	451.983467305486
Cond-008262	NPD89	NPD89	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2037908851	CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C	InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18?,19?,20?,21-,22-,23-/m0/s1	C23H32O4	372.498	4	0	60.44	4	3	0	0.695799999999997	4.56928000000001	3.55	3.775	102.3053	104.861	2.9777	381.55334229158
Cond-008263	NPD890	NPD890	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8661537703	[C@H]12CCCCN1CCC[C@H]2COC(=O)CCCCCCCCCCCl	InChI=1S/C21H38ClNO2/c22-15-9-6-4-2-1-3-5-7-14-21(24)25-18-19-12-11-17-23-16-10-8-13-20(19)23/h19-20H,1-18H2/t19-,20+/m0/s1	C21H38ClNO2	371.985	3	0	29.54	2	13	2	-2.8093	5.77769000000001	3.33	6.247	83.795	108.411	3.1469	388.211041121325
Cond-008264	NPD891	NPD891	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.259629791	COc1ccc(cc1)c1cc(=O)oc2cc(OC/C=C/c3ccccc3)ccc12	InChI=1S/C25H20O4/c1-27-20-11-9-19(10-12-20)23-17-25(26)29-24-16-21(13-14-22(23)24)28-15-5-8-18-6-3-2-4-7-18/h2-14,16-17H,15H2,1H3/b8-5+	C25H20O4	384.424	4	0	44.76	4	6	1	0.347900000000001	5.50736	3.77	8.089	39.2808	116.301	2.9155	362.353641936913
Cond-008265	NPD892	NPD892	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.886497065	COc1ccc(cc1)C(=O)Oc1ccc2c(=O)c(c3nc4c(s3)cccc4)c(C)oc2c1C	InChI=1S/C26H19NO5S/c1-14-20(32-26(29)16-8-10-17(30-3)11-9-16)13-12-18-23(28)22(15(2)31-24(14)18)25-27-19-6-4-5-7-21(19)33-25/h4-13H,1-3H3	C26H19NO5S	457.498	6	0	102.96	5	5	1	0.936699999999999	6.80558	3.55	5.927	48.0269	132.5955	3.2268	392.052720127507
Cond-008266	NPD894	NPD894	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8325924525	COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2c([nH]1)cc(OC)c(OC)c2	InChI=1S/C22H24N2O8/c1-27-14-9-12-13(10-15(14)28-2)23-19(22(26)32-6)18(12)24-21(25)11-7-16(29-3)20(31-5)17(8-11)30-4/h7-10,23H,1-6H3,(H,24,25)	C22H24N2O8	444.435	10	2	117.34	3	10	0	-1.303	3.14148	2.78	1.753	59.3089	121.2882	3.1648	387.885950081091
Cond-008267	NPD895	NPD895	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7533339639	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(cc1)C(=O)O	InChI=1S/C33H41NO9/c1-31-13-11-22(35)15-21(31)7-8-23-24-12-14-33(42,32(24,2)16-25(36)29(23)31)26(37)18-43-28(39)10-9-27(38)34-17-19-3-5-20(6-4-19)30(40)41/h3-6,15,23-25,29,36,42H,7-14,16-18H2,1-2H3,(H,34,38)(H,40,41)/t23?,24?,25?,29?,31-,32-,33-/m0/s1	C33H41NO9	595.68	10	4	167.3	5	11	1	-1.5458	2.68238000000001	3.99	1.536	128.5652	155.4931	4.4564	573.022330056418
Cond-008268	NPD896	NPD896	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.839129347	CC(C)Oc1ccc(cc1)C(CCNC(C)c1ccc(Cl)cc1)c1ccccc1	InChI=1S/C26H30ClNO/c1-19(2)29-25-15-11-23(12-16-25)26(22-7-5-4-6-8-22)17-18-28-20(3)21-9-13-24(27)14-10-21/h4-16,19-20,26,28H,17-18H2,1-3H3	C26H30ClNO	407.976	2	1	21.26	3	9	1	-0.184399999999999	7.14299000000001	3.99	9.711	46.4301	123.3337	3.3401	399.752609242897
Cond-008269	NPD897	NPD897	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.095821866	COc1ccccc1C(CCNCc1ccc(cc1)N(C)C)c1ccc(OC(C)C)cc1	InChI=1S/C28H36N2O2/c1-21(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-20-22-10-14-24(15-11-22)30(3)4/h6-17,21,26,29H,18-20H2,1-5H3	C28H36N2O2	432.598	4	1	33.73	3	11	2	-0.751999999999999	6.05950000000001	4.1	7.255	57.8373	134.7797	3.658	438.920497632925
Cond-008270	NPD898	NPD898	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9214838307	CCOC(=O)C(=O)Oc1ccc2c(=O)c(c3nc4c(s3)cccc4)c(oc2c1C)C(=O)OCC	InChI=1S/C24H19NO8S/c1-4-30-22(27)20-17(21-25-14-8-6-7-9-16(14)34-21)18(26)13-10-11-15(12(3)19(13)33-20)32-24(29)23(28)31-5-2/h6-11H,4-5H2,1-3H3	C24H19NO8S	481.475	9	0	146.33	4	9	0	1.0722	4.85498000000001	3	4.53	67.543	128.0915	3.2727	409.724348379057
Cond-008271	NPD899	NPD899	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.284341602	CC(C)CCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C	InChI=1S/C22H39NO11/c1-10(2)6-7-29-18-17(32-21-19(18)33-22(4,5)34-21)12(26)9-30-20-14(23-11(3)25)16(28)15(27)13(8-24)31-20/h10,12-21,24,26-28H,6-9H2,1-5H3,(H,23,25)/t12?,13-,14-,15-,16-,17-,18+,19-,20-,21-/m1/s1	C22H39NO11	493.545	12	5	165.4	3	11	2	-3.0872	-1.15081	2.56	-0.0930000000000002	111.7911	118.4599	3.58510000000001	457.051539581008
Cond-008272	NPD9	NPD9	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.819204254	CCC(=O)Oc1cc2c(cc1CC)c(=O)c(c(CC)o2)c1cc2c(OCCO2)cc1	InChI=1S/C24H24O6/c1-4-14-11-16-20(13-19(14)30-22(25)6-3)29-17(5-2)23(24(16)26)15-7-8-18-21(12-15)28-10-9-27-18/h7-8,11-13H,4-6,9-10H2,1-3H3	C24H24O6	408.444	6	0	71.06	4	6	0	-0.812299999999999	6.28555	3.44	4.503	63.9543	119.7115	3.021	381.447486814569
Cond-008273	NPD901	NPD901	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	31.5136352264	CC(C)Oc1ccc(cc1)C(CCN(Cc1ccco1)C(=O)C)c1ccc(C)cc1	InChI=1S/C26H31NO3/c1-19(2)30-24-13-11-23(12-14-24)26(22-9-7-20(3)8-10-22)15-16-27(21(4)28)18-25-6-5-17-29-25/h5-14,17,19,26H,15-16,18H2,1-4H3	C26H31NO3	405.529	4	0	42.68	3	10	1	-0.6346	5.52401000000001	3.88	8.113	52.9172	122.536	3.3351	402.121994873586
Cond-008274	NPD902	NPD902	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.5881506475	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)c3cc(OC)ccc3)ccc12	InChI=1S/C25H20O6/c1-28-18-8-6-16(7-9-18)22-14-25(27)31-24-13-20(10-11-21(22)24)30-15-23(26)17-4-3-5-19(12-17)29-2/h3-14H,15H2,1-2H3	C25H20O6	416.423	6	0	71.06	4	7	1	-0.648900000000001	4.86817	3.55	5.098	41.4738	119.2115	3.0329	379.934095338035
Cond-008275	NPD903	NPD903	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.362878714	C1(Cc2c([nH]c3ccccc23)C(CCc2ccccc2)N1C(=O)C)C(=O)OC	InChI=1S/C23H24N2O3/c1-15(26)25-20(13-12-16-8-4-3-5-9-16)22-18(14-21(25)23(27)28-2)17-10-6-7-11-19(17)24-22/h3-11,20-21,24H,12-14H2,1-2H3	C23H24N2O3	376.448	5	1	62.4	4	6	1	-1.4048	3.60408000000001	3.44	6.103	47.5174	111.769	2.9036	348.874342503352
Cond-008276	NPD904	NPD904	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3302489745	COc1ccc(cc1COc1ccc(NC(=O)C)cc1)C1NCCc2c1[nH]c1c2cc(OCc2ccccc2)cc1	InChI=1S/C34H33N3O4/c1-22(38)36-26-9-11-27(12-10-26)41-21-25-18-24(8-15-32(25)39-2)33-34-29(16-17-35-33)30-19-28(13-14-31(30)37-34)40-20-23-6-4-3-5-7-23/h3-15,18-19,33,35,37H,16-17,20-21H2,1-2H3,(H,36,38)	C34H33N3O4	547.644	7	3	84.61	6	10	1	-1.5857	6.80397	4.43	7.173	52.0062	164.7634	4.17980000000001	499.221949391014
Cond-008277	NPD905	NPD905	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.3326397427	CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2c([nH]1)ccc(OC)c2	InChI=1S/C22H24N2O7/c1-6-31-22(26)19-18(14-11-13(27-2)7-8-15(14)23-19)24-21(25)12-9-16(28-3)20(30-5)17(10-12)29-4/h7-11,23H,6H2,1-5H3,(H,24,25)	C22H24N2O7	428.435	9	2	108.11	3	10	0	-1.0008	3.52298	2.89	2.62	56.2869	119.3532	3.1061	379.09572338053
Cond-008278	NPD906	NPD906	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.3251733606	COc1c2OCOc2cc2c1C(CC(O)c1ccccc1)[N+](C)(C)CC2	InChI=1S/C21H26NO4/c1-22(2)10-9-15-11-18-20(26-13-25-18)21(24-3)19(15)16(22)12-17(23)14-7-5-4-6-8-14/h4-8,11,16-17,23H,9-10,12-13H2,1-3H3/q+1	C21H26NO4+	356.435	5	1	47.92	4	4	0	-2.1757	3.59529	3.22	3.21	47.6173	101.3882	2.7312	332.203445196813
Cond-008279	NPD907	NPD907	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7838403802	COc1c(OC)cc(CCNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1	InChI=1S/C20H20N2O5/c1-26-15-8-7-12(11-16(15)27-2)9-10-21-19(24)17-18(23)13-5-3-4-6-14(13)22-20(17)25/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25)	C20H20N2O5	368.383	7	3	96.89	3	7	0	-1.3969	2.93517	2.89	4.545	49.3826	103.3042	2.7069	337.823300727674
Cond-008280	NPD908	NPD908	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.5735352267	COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1OCOc1c2C(=O)/C=C/c1c(OC)cccc1	InChI=1S/C25H28NO7/c1-26(14-21(28)30-3)12-11-17-18(13-26)23(31-4)25-24(32-15-33-25)22(17)19(27)10-9-16-7-5-6-8-20(16)29-2/h5-10H,11-15H2,1-4H3/q+1/b10-9+	C25H28NO7+	454.492	8	0	80.29	4	8	0	-1.5624	3.00598	3.33	2.266	73.8165	124.3484	3.3419	419.848687699563
Cond-008281	NPD909	NPD909	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2057988551	COc1c2C(C/C(=N/O)/c3ccc(C)cc3)N(C)CCc2cc2c1OCO2	InChI=1S/C21H24N2O4/c1-13-4-6-14(7-5-13)16(22-24)11-17-19-15(8-9-23(17)2)10-18-20(21(19)25-3)27-12-26-18/h4-7,10,17,24H,8-9,11-12H2,1-3H3/b22-16-	C21H24N2O4	368.426	6	1	63.52	4	4	0	0.432699999999999	4.3353	3.11	3.924	54.8767	107.2437	2.7665	339.24551735378
Cond-008282	NPD91	NPD91	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	49.1094327192	CCCCCCC1OC[C@@]2(COC(=O)NCCCC)C(C)C=C(C)C1[C@H]2C	InChI=1S/C23H41NO3/c1-6-8-10-11-12-20-21-17(3)14-18(4)23(15-26-20,19(21)5)16-27-22(25)24-13-9-7-2/h14,18-21H,6-13,15-16H2,1-5H3,(H,24,25)/t18?,19-,20?,21?,23-/m1/s1	C23H41NO3	379.577	4	1	47.56	2	12	2	-1.3902	5.24078000000001	3.55	6.348	97.9896	113.3497	3.322	413.745710602386
Cond-008283	NPD910	NPD910	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9679481065	CCCOc1ccc(cc1OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O	InChI=1S/C22H24N2O4/c1-3-10-28-18-9-8-13(11-19(18)27-2)20-21-15(12-17(24-20)22(25)26)14-6-4-5-7-16(14)23-21/h4-9,11,17,20,23-24H,3,10,12H2,1-2H3,(H,25,26)	C22H24N2O4	380.437	6	3	83.58	4	6	0	-1.6567	3.45298	3.22	3.665	47.8628	110.1965	2.8644	343.005043278846
Cond-008284	NPD911	NPD911	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4489167139	CCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5O[C@]6(CCC(C)CN6C(=O)C)[C@@H](C)C45)C3CC=C2C1	InChI=1S/C33H51NO4/c1-7-8-29(36)37-24-12-14-31(5)23(17-24)9-10-25-26(31)13-15-32(6)27(25)18-28-30(32)21(3)33(38-28)16-11-20(2)19-34(33)22(4)35/h9,20-21,24-28,30H,7-8,10-19H2,1-6H3/t20?,21-,24?,25?,26?,27?,28?,30?,31-,32-,33+/m0/s1	C33H51NO4	525.762	5	0	55.84	6	5	1	-0.0263999999999991	7.05688000000001	4.54	7.435	142.5208	150.89	4.3123	543.433490057613
Cond-008285	NPD912	NPD912	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.598195902	CC(C)CCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C	InChI=1S/C28H45NO14/c1-13(2)9-10-35-24-21(41-27-25(24)42-28(7,8)43-27)18(34)11-37-26-20(29-14(3)30)23(39-17(6)33)22(38-16(5)32)19(40-26)12-36-15(4)31/h13,18-27,34H,9-12H2,1-8H3,(H,29,30)/t18?,19-,20-,21-,22-,23-,24+,25-,26-,27-/m1/s1	C28H45NO14	619.655	15	2	183.61	3	17	2	-1.9499	0.561590000000001	2.89	0.84	139.2456	147.1015	4.4776	579.28875133549
Cond-008286	NPD913	NPD913	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7890538657	CC(=CCC/C(=C/COc1c(Br)cc2oc(C)c(C(=O)O)c2c1)/C)C	InChI=1S/C20H23BrO4/c1-12(2)6-5-7-13(3)8-9-24-18-10-15-17(11-16(18)21)25-14(4)19(15)20(22)23/h6,8,10-11H,5,7,9H2,1-4H3,(H,22,23)/b13-8+	C20H23BrO4	407.298	4	1	59.67	2	7	1	3.5803	5.73988000000001	3.11	5.182	73.5218	107.0748	2.8182	343.952548690746
Cond-008287	NPD914	NPD914	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5989492119	CC(C)Oc1ccc(cc1)C(CC(=O)N1CCCCC1)Cc1ccccc1	InChI=1S/C24H31NO2/c1-19(2)27-23-13-11-21(12-14-23)22(17-20-9-5-3-6-10-20)18-24(26)25-15-7-4-8-16-25/h3,5-6,9-14,19,22H,4,7-8,15-18H2,1-2H3	C24H31NO2	365.508	3	0	29.54	3	8	1	-1.5276	5.43659000000001	3.77	7.813	54.5217	113.384	3.0806	374.912716322891
Cond-008288	NPD915	NPD915	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.6534725243	COC(=O)COc1ccc2c(cc(=O)oc2c1C)c1ccc(OC)cc1	InChI=1S/C20H18O6/c1-12-17(25-11-19(22)24-3)9-8-15-16(10-18(21)26-20(12)15)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3	C20H18O6	354.353	6	0	71.06	3	6	0	0.319899999999999	3.73319	3	3.597	46.3025	99.87	2.566	324.620007011902
Cond-008289	NPD918	NPD918	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.055225395	COC(=O)c1c(NC(=O)CN2CCc3c(cc(OC)c(O)c3)[C@@H]2C)c2c([nH]1)ccc(C)c2	InChI=1S/C24H27N3O5/c1-13-5-6-18-17(9-13)22(23(25-18)24(30)32-4)26-21(29)12-27-8-7-15-10-19(28)20(31-3)11-16(15)14(27)2/h5-6,9-11,14,25,28H,7-8,12H2,1-4H3,(H,26,29)/t14-/m0/s1	C24H27N3O5	437.488	8	3	103.89	4	7	0	-0.8346	2.80510000000001	3.22	3.084	64.033	123.9755	3.2617	394.747540738508
Cond-008290	NPD919	NPD919	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9918823995	COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1OCOc1c2C(=O)/C=C/c1ccc(F)cc1	InChI=1S/C24H25FNO6/c1-26(13-20(28)29-2)11-10-17-18(12-26)22(30-3)24-23(31-14-32-24)21(17)19(27)9-6-15-4-7-16(25)8-5-15/h4-9H,10-14H2,1-3H3/q+1/b9-6+	C24H25FNO6+	442.457	7	0	71.06	4	7	0	-1.0309	3.13648	3.22	2.669	67.3732	117.7544	3.16	399.830035223442
Cond-008291	NPD92	NPD92	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4642190417	CCOC(=O)COc1cc(OCC(=O)OCC)c2c3c(CCC3)c(=O)oc2c1	InChI=1S/C20H22O8/c1-3-24-17(21)10-26-12-8-15(27-11-18(22)25-4-2)19-13-6-5-7-14(13)20(23)28-16(19)9-12/h8-9H,3-7,10-11H2,1-2H3	C20H22O8	390.384	8	0	97.36	3	10	0	-0.366299999999999	2.97887	2.78	2.121	71.7391	101.346	2.7694	358.373377814624
Cond-008292	NPD920	NPD920	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1633270866	O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1c1ccccn1	InChI=1S/C23H17NO3/c25-23-20(21-10-4-5-13-24-21)15-18-11-12-19(16-22(18)27-23)26-14-6-9-17-7-2-1-3-8-17/h1-13,15-16H,14H2/b9-6+	C23H17NO3	355.386	4	0	48.42	4	5	1	0.5064	4.89376	3.55	7.644	32.0401	107.544	2.6748	329.968206192785
Cond-008293	NPD921	NPD921	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.3826822354	CCOC(=O)c1c(oc2c1cc(OC(=O)CC)cc2)c1ccc(OC)cc1	InChI=1S/C21H20O6/c1-4-18(22)26-15-10-11-17-16(12-15)19(21(23)25-5-2)20(27-17)13-6-8-14(24-3)9-7-13/h6-12H,4-5H2,1-3H3	C21H20O6	368.38	6	0	74.97	3	8	0	0.0507000000000005	4.54338	3.11	4.351	41.9567	106.153	2.7069	331.015991637768
Cond-008294	NPD922	NPD922	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.0090877489	COc1cc2c(cc1OC)[C@H](C)N(CC(O)CNc1ccc(O)cc1)CC2	InChI=1S/C21H28N2O4/c1-14-19-11-21(27-3)20(26-2)10-15(19)8-9-23(14)13-18(25)12-22-16-4-6-17(24)7-5-16/h4-7,10-11,14,18,22,24-25H,8-9,12-13H2,1-3H3/t14-,18?/m0/s1	C21H28N2O4	372.458	6	3	74.19	3	7	0	-1.1905	2.83099000000001	3.11	2.058	57.2417	107.4825	2.9181	354.23843475538
Cond-008295	NPD923	NPD923	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.0892883027	Clc1cc2c([nH]c3c2ncn(CCc2c[nH]c4c2cccc4)c3=O)cc1	InChI=1S/C20H15ClN4O/c21-13-5-6-17-15(9-13)18-19(24-17)20(26)25(11-23-18)8-7-12-10-22-16-4-2-1-3-14(12)16/h1-6,9-11,22,24H,7-8H2	C20H15ClN4O	362.812	5	2	64.25	5	3	0	-0.4983	4.37356	3	4.155	36.3721	111.283	2.5339	290.717606009796
Cond-008296	NPD924	NPD924	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4816040859	CCS(=O)(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2c1cc(OC)c(OC)c2	InChI=1S/C22H26N2O6S/c1-6-31(25,26)24-17-13-22(30-5)20(28-3)11-15(17)9-18-16-12-21(29-4)19(27-2)10-14(16)7-8-23-18/h7-8,10-13,24H,6,9H2,1-5H3	C22H26N2O6S	446.517	8	1	104.36	3	9	0	-0.469799999999998	4.40779	2.89	2.675	55.1499	116.2647	3.2539	391.450979438369
Cond-008297	NPD925	NPD925	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	16.3307852675	[C@@H]12Cc3c([nH]c4c3cccc4)C(C)(C)N1C(=O)N(C1CCCCC1)C2=O	InChI=1S/C21H25N3O2/c1-21(2)18-15(14-10-6-7-11-16(14)22-18)12-17-19(25)23(20(26)24(17)21)13-8-4-3-5-9-13/h6-7,10-11,13,17,22H,3-5,8-9,12H2,1-2H3/t17-/m0/s1	C21H25N3O2	351.442	5	1	56.41	5	1	0	-2.1626	3.10478	3.22	3.925	58.0962	103.32	2.6833	322.941824160824
Cond-008298	NPD926	NPD926	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8043532649	CC(C)Oc1ccc(cc1)C(CCN(Cc1ccc(cc1)N(C)C)C(=O)CCl)c1ccccc1	InChI=1S/C29H35ClN2O2/c1-22(2)34-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-32(29(33)20-30)21-23-10-14-26(15-11-23)31(3)4/h5-17,22,28H,18-21H2,1-4H3	C29H35ClN2O2	479.053	4	0	32.78	3	12	2	-0.372099999999998	6.20709000000001	4.1	9.019	64.8406	143.574	3.8783	468.791091328425
Cond-008299	NPD927	NPD927	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2746121502	CCCCC(=O)OC1CCC2C3CCc4cc(OCc5ccc(F)cc5)ccc4C3CC[C@]12C	InChI=1S/C30H37FO3/c1-3-4-5-29(32)34-28-15-14-27-26-12-8-21-18-23(33-19-20-6-9-22(31)10-7-20)11-13-24(21)25(26)16-17-30(27,28)2/h6-7,9-11,13,18,25-28H,3-5,8,12,14-17,19H2,1-2H3/t25?,26?,27?,28?,30-/m0/s1	C30H37FO3	464.611	3	0	35.53	5	8	1	0.206899999999999	7.25719000000001	4.32	9.53	77.2335	133.683	3.6854	457.836732019193
Cond-008300	NPD928	NPD928	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.510050005	Cc1ccc(cc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)O	InChI=1S/C20H25NO8/c1-9-6-7-10(17(23)24)8-11(9)21-16(22)14-12-13(27-19(2,3)26-12)15-18(25-14)29-20(4,5)28-15/h6-8,12-15,18H,1-5H3,(H,21,22)(H,23,24)/t12-,13+,14+,15-,18-/m1/s1	C20H25NO8	407.414	9	2	112.55	4	4	0	-0.934	2.37101	2.67	1.899	73.1484	101.7245	2.8466	362.286596723591
Cond-008301	NPD929	NPD929	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6234748889	[nH+]1c(Cc2cc(OC)c(OC)cc2Br)c2cc(OC)c(OC)cc2cc1	InChI=1S/C20H20BrNO4/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21/h5-6,8-11H,7H2,1-4H3/p+1	C20H21BrNO4+	419.289	5	1	51.06	3	6	0	-0.4411	5.12789	3	3.685	42.6169	108.641	2.7879	330.374620847713
Cond-008302	NPD93	NPD93	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.001240103	CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C	InChI=1S/C24H32O6/c1-4-20(28)30-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)21(16)18(26)12-23(17,24)3/h7,9,11,16-18,21,26,29H,4-6,8,10,12-13H2,1-3H3/t16?,17?,18?,21?,22-,23-,24-/m0/s1	C24H32O6	416.507	6	2	100.9	4	5	0	-0.402400000000003	2.60477	3.44	1.585	111.3706	111.9156	3.193	413.793321617769
Cond-008303	NPD930	NPD930	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8385469712	[C@H]12CCCCN1CCC[C@H]2COC(=O)CCCCCCCCCCCCCCC	InChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-26(28)29-23-24-18-17-22-27-21-16-15-19-25(24)27/h24-25H,2-23H2,1H3/t24-,25+/m0/s1	C26H49NO2	407.673	3	0	29.54	2	17	2	-4.9539	7.50929000000001	3.99	9.383	93.9239	126.45	3.72899999999999	459.479896480226
Cond-008304	NPD933	NPD933	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9432485323	COc1ccc2c(=O)/c(=C\c3ccc(Br)cc3)/oc3c2c1ccc3	InChI=1S/C20H13BrO3/c1-23-16-10-9-15-19-14(16)3-2-4-17(19)24-18(20(15)22)11-12-5-7-13(21)8-6-12/h2-11H,1H3/b18-11+	C20H13BrO3	381.219	3	0	35.53	4	2	1	0.4401	5.51357	3.22	5.811	32.5263	101.598	2.4133	291.640028486184
Cond-008305	NPD934	NPD934	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9606824198	CC(C)COc1ccc(CO[C@H]2[C@H](O[C@@H]3OC4(CCCCC4)O[C@H]23)C2COC3(CCCCC3)O2)cc1	InChI=1S/C29H42O7/c1-20(2)17-30-22-11-9-21(10-12-22)18-31-25-24(23-19-32-28(34-23)13-5-3-6-14-28)33-27-26(25)35-29(36-27)15-7-4-8-16-29/h9-12,20,23-27H,3-8,13-19H2,1-2H3/t23?,24-,25+,26-,27-/m1/s1	C29H42O7	502.64	7	0	64.61	6	7	1	-3.3804	5.64439000000001	3.88	5.589	90.2244	133.733	3.825	478.723471447664
Cond-008306	NPD935	NPD935	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5665362969	O=C1C2Cc3c([nH]c4c3cccc4)C(N2C(=O)N1c1ccccc1)c1ccccc1	InChI=1S/C25H19N3O2/c29-24-21-15-19-18-13-7-8-14-20(18)26-22(19)23(16-9-3-1-4-10-16)28(21)25(30)27(24)17-11-5-2-6-12-17/h1-14,21,23,26H,15H2	C25H19N3O2	393.437	5	1	56.41	6	2	1	-1.3167	4.34137	3.66	6.708	29.7702	118.285	2.8803	342.150551758691
Cond-008307	NPD936	NPD936	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.7823367526	COC(=O)C1Cc2c([nH]c3c2cccc3)C(N1)c1cc(COc2c(F)cccc2)c(OC)cc1	InChI=1S/C27H25FN2O4/c1-32-23-12-11-16(13-17(23)15-34-24-10-6-4-8-20(24)28)25-26-19(14-22(30-25)27(31)33-2)18-7-3-5-9-21(18)29-26/h3-13,22,25,29-30H,14-15H2,1-2H3	C27H25FN2O4	460.497	6	2	72.58	5	7	1	-0.6893	5.18747000000001	3.66	5.439	44.6941	133.1547	3.34900000000001	404.386690455287
Cond-008308	NPD937	NPD937	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.1366104464	CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)c3cc4c(o3)cccc4)cc12	InChI=1S/C22H18O6/c1-12(2)25-22(24)20-13(3)26-18-9-8-15(11-16(18)20)27-21(23)19-10-14-6-4-5-7-17(14)28-19/h4-12H,1-3H3	C22H18O6	378.375	6	0	78.88	4	6	1	0.00129999999999925	5.36749	3.22	5.501	36.7494	111.2525	2.6962	322.419058862035
Cond-008309	NPD938	NPD938	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.3508245528	COc1c2OCOc2c(C(=O)/C=C/c2cccc(F)c2)c2c1CN(C)CC2	InChI=1S/C21H20FNO4/c1-23-9-8-15-16(11-23)19(25-2)21-20(26-12-27-21)18(15)17(24)7-6-13-4-3-5-14(22)10-13/h3-7,10H,8-9,11-12H2,1-2H3/b7-6+	C21H20FNO4	369.386	5	0	48	4	4	0	0.616799999999998	3.44868	3.11	3.157	53.7208	102.45	2.6414	331.679857295119
Cond-008310	NPD939	NPD939	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.548230682	COC(=O)C1C(=O)/C(=C\NCCc2ccc(OC)c(OC)c2)/C(=O)CC1(C)C	InChI=1S/C21H27NO6/c1-21(2)11-15(23)14(19(24)18(21)20(25)28-5)12-22-9-8-13-6-7-16(26-3)17(10-13)27-4/h6-7,10,12,18,22H,8-9,11H2,1-5H3/b14-12-	C21H27NO6	389.442	7	1	90.93	2	8	0	-0.217699999999999	2.23718	3	2.992	79.9117	106.2267	3.0013	381.442127948335
Cond-008311	NPD941	NPD941	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.8218448875	CCC(=O)N(CCC(c1ccco1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1	InChI=1S/C27H33NO4/c1-5-27(29)28(19-21-12-14-22(15-13-21)32-20(2)3)17-16-24(26-11-8-18-31-26)23-9-6-7-10-25(23)30-4/h6-15,18,20,24H,5,16-17,19H2,1-4H3	C27H33NO4	435.555	5	0	51.91	3	12	2	-1.1556	6.46939000000001	3.88	6.333	59.5476	129.963	3.5347	428.208206200014
Cond-008312	NPD942	NPD942	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7962735269	[C@@H]12Cc3c(c(C)nn3C(=O)Cc3cc(OC)c(OC)c(OC)c3)[C@@H]1C2(C)C	InChI=1S/C21H26N2O4/c1-11-18-14(10-13-19(18)21(13,2)3)23(22-11)17(24)9-12-7-15(25-4)20(27-6)16(8-12)26-5/h7-8,13,19H,9-10H2,1-6H3/t13-,19-/m1/s1	C21H26N2O4	370.442	6	0	62.58	4	6	0	0.624900000000002	3.94900000000001	3.11	3.306	65.4579	105.381	2.8095	341.88197605458
Cond-008313	NPD943	NPD943	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7719551357	Cc1c(/C=C/2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)oc2c1cc1CCCN3CCCc2c13	InChI=1S/C28H25N3O5/c1-16-20-13-18-9-5-11-30-12-6-10-19(23(18)30)24(20)36-27(34)21(16)14-22-25(32)29-28(35)31(26(22)33)15-17-7-3-2-4-8-17/h2-4,7-8,13-14H,5-6,9-12,15H2,1H3,(H,29,32,35)/b22-14+	C28H25N3O5	483.515	8	1	96.02	6	3	0	-0.378199999999997	3.94865000000001	3.66	4.184	81.1849	135.7797	3.4791	442.209185737975
Cond-008314	NPD945	NPD945	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1523712012	COc1c2OCOc2cc(CCN(C)C(=O)c2c(Cl)cccc2)c1C=C1C(=O)NC(=O)NC1=O	InChI=1S/C23H20ClN3O7/c1-27(22(30)13-5-3-4-6-16(13)24)8-7-12-9-17-19(34-11-33-17)18(32-2)14(12)10-15-20(28)25-23(31)26-21(15)29/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,26,28,29,31)	C23H20ClN3O7	485.874	10	2	123.27	4	7	0	-0.478	2.05747	2.78	2.125	71.6298	124.7449	3.2746	415.870159882596
Cond-008315	NPD946	NPD946	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	105.346183234	COc1cc2c(cc1OC)c(Cc1cc(OC)c(OC)cc1NC(=O)c1c3ccccc3ccc1)ncc2	InChI=1S/C31H28N2O5/c1-35-27-15-20-12-13-32-26(24(20)17-29(27)37-3)14-21-16-28(36-2)30(38-4)18-25(21)33-31(34)23-11-7-9-19-8-5-6-10-22(19)23/h5-13,15-18H,14H2,1-4H3,(H,33,34)	C31H28N2O5	508.564	7	1	78.91	5	9	1	-0.520799999999999	7.10628	4.1	7.231	41.4593	152.6507	3.8246	457.483920706608
Cond-008316	NPD947	NPD947	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.6231040733	CCOc1c(cccc1)N1C(=O)C2Cc3c([nH]c4c3cccc4)C(C)N2C1=S	InChI=1S/C22H21N3O2S/c1-3-27-19-11-7-6-10-17(19)25-21(26)18-12-15-14-8-4-5-9-16(14)23-20(15)13(2)24(18)22(25)28/h4-11,13,18,23H,3,12H2,1-2H3	C22H21N3O2S	391.486	5	1	80.66	5	3	1	-0.1677	4.52917000000001	3.22	5.045	55.2694	118.102	2.8587	339.937456741891
Cond-008317	NPD948	NPD948	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6753996028	[C@@H]12Cc3c(c(C)nn3C(=O)[C@@H]3CC=CC[C@@H]3Cc3ccccc3)[C@@H]1C2(C)C	InChI=1S/C24H28N2O/c1-15-21-20(14-19-22(21)24(19,2)3)26(25-15)23(27)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-10,17-19,22H,11-14H2,1-3H3/t17-,18-,19-,22-/m1/s1	C24H28N2O	360.492	3	0	34.89	5	4	1	1.2085	5.43179000000001	3.77	7.914	70.1897	110.809	2.9045	352.406332428897
Cond-008318	NPD949	NPD949	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.382231116	COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1/C=C\1/C(=O)NC(=O)N(Cc2ccccc2)C1=O	InChI=1S/C30H27N3O7/c1-32(28(35)20-11-7-4-8-12-20)14-13-21-15-24-26(40-18-39-24)25(38-2)22(21)16-23-27(34)31-30(37)33(29(23)36)17-19-9-5-3-6-10-19/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,31,34,37)/b23-16-	C30H27N3O7	541.551	10	1	114.48	5	9	1	-1.2107	3.61307	3.66	5.501	70.7264	148.2172	3.9009	490.56514969003
Cond-008319	NPD95	NPD95	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	109.0228342	CCCCCCCCC1CCC2C3CC=C4CC(S)CC[C@]4(C)C3CC[C@]12C	InChI=1S/C27H46S/c1-4-5-6-7-8-9-10-20-12-14-24-23-13-11-21-19-22(28)15-17-27(21,3)25(23)16-18-26(20,24)2/h11,20,22-25,28H,4-10,12-19H2,1-3H3/t20?,22?,23?,24?,25?,26-,27+/m1/s1	C27H46S	402.719	0	0	38.8	4	7	1	-0.0962999999999996	8.54059000000001	4.32	11.858	113.7333	125.69	3.599	441.994774152803
Cond-008320	NPD950	NPD950	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.526361194	CCCCCCCCCCCCCCCCN1C(C(=C(O)C1=O)C(=O)C)c1ccc(OC)c(OC)c1	InChI=1S/C30H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-28(27(23(2)32)29(33)30(31)34)24-19-20-25(35-3)26(22-24)36-4/h19-20,22,28,33H,5-18,21H2,1-4H3	C30H47NO5	501.698	6	1	76.07	2	19	2	-5.3027	7.28848	4.1	9.866	98.3187	146.8428	4.2537	530.952221581375
Cond-008321	NPD951	NPD951	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3578504035	COc1c2C(NC(=O)Nc3c(Br)cccc3)N(C)CCc2cc2c1OCO2	InChI=1S/C19H20BrN3O4/c1-23-8-7-11-9-14-16(27-10-26-14)17(25-2)15(11)18(23)22-19(24)21-13-6-4-3-5-12(13)20/h3-6,9,18H,7-8,10H2,1-2H3,(H2,21,22,24)	C19H20BrN3O4	434.284	7	2	72.06	4	5	0	0.4215	4.40787	2.67	2.85	54.2658	111.1954	2.7595	334.93392728778
Cond-008322	NPD952	NPD952	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8307098657	[C@@H]1(C2C=Cc3c(cccc3)N2[C@@H](C(=O)C)[C@]21C(=O)Nc1c2cccc1)C(=O)c1cccs1	InChI=1S/C26H20N2O3S/c1-15(29)24-26(17-8-3-4-9-18(17)27-25(26)31)22(23(30)21-11-6-14-32-21)20-13-12-16-7-2-5-10-19(16)28(20)24/h2-14,20,22,24H,1H3,(H,27,31)/t20?,22-,24+,26+/m1/s1	C26H20N2O3S	440.514	5	1	94.72	6	3	0	-0.8029	5.48866	3.66	4.605	57.5308	127.9492	3.1436	386.649026934552
Cond-008323	NPD953	NPD953	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.4089449435	COc1c2OCOc2cc2c1C(CN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(C)cc1)[N+](C)(C)CC2	InChI=1S/C26H28N4O6/c1-15-5-7-17(8-6-15)29-25(32)18(24(31)28-26(29)33)12-27-13-19-21-16(9-10-30(19,2)3)11-20-22(23(21)34-4)36-14-35-20/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H-,27,28,31,32,33)/p+1	C26H29N4O6+	493.532	10	2	106.2	5	5	0	-2.2673	3.28438	3.22	2.982	80.4233	136.7368	3.5719	446.351808847769
Cond-008324	NPD954	NPD954	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.360078278	Cc1c(c2nc3c(s2)cccc3)c(=O)c2ccc(OC(=O)c3c(C)cccc3)c(C)c2o1	InChI=1S/C26H19NO4S/c1-14-8-4-5-9-17(14)26(29)31-20-13-12-18-23(28)22(16(3)30-24(18)15(20)2)25-27-19-10-6-7-11-21(19)32-25/h4-13H,1-3H3	C26H19NO4S	441.498	5	0	93.73	5	4	1	1.6305	6.87971	3.66	7.327	46.2132	129.9495	3.1681	383.262493426946
Cond-008325	NPD955	NPD955	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5287383069	COc1c(Br)cc(Br)cc1CC1(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O	InChI=1S/C26H28Br2N4O5/c1-29-23(34)26(24(35)30(2)25(29)36,10-16-8-18(27)9-19(28)22(16)37-3)14-31-11-15-7-17(13-31)20-5-4-6-21(33)32(20)12-15/h4-6,8-9,15,17H,7,10-14H2,1-3H3/t15-,17+/m0/s1	C26H28Br2N4O5	636.332	9	0	90.47	5	5	0	0.3992	3.11977	3.11	1.568	122.5036	145.143	3.8847	488.347049452742
Cond-008326	NPD956	NPD956	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1433541093	COc1c(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(/C=N/n2cnc3c([nH]c4c3cc(Cl)cc4)c2=O)cc1	InChI=1S/C30H27ClN6O3/c1-40-26-8-5-18(12-33-37-17-32-28-23-11-22(31)6-7-24(23)34-29(28)30(37)39)9-21(26)16-35-13-19-10-20(15-35)25-3-2-4-27(38)36(25)14-19/h2-9,11-12,17,19-20,34H,10,13-16H2,1H3/b33-12+/t19-,20-/m0/s1	C30H27ClN6O3	555.027	9	1	93.6	7	5	0	-1.174	4.83685000000001	3.66	3.939	98.324	160.5905	3.9137	481.529132581919
Cond-008327	NPD957	NPD957	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6206078094	CN1C(=S)N(C)C(=O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2cccc3c2cccc3)C1=O	InChI=1S/C29H30N4O3S/c1-30-26(35)29(27(36)31(2)28(30)37,14-21-9-5-8-20-7-3-4-10-23(20)21)18-32-15-19-13-22(17-32)24-11-6-12-25(34)33(24)16-19/h3-12,19,22H,13-18H2,1-2H3/t19-,22+/m1/s1	C29H30N4O3S	514.639	7	0	96.26	6	4	0	-0.427499999999999	2.90427	3.77	4.537	105.9805	147.899	3.8089	474.066959929286
Cond-008328	NPD958	NPD958	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2442407037	COc1c2C([NH+](C)CCc2cc2c1OCO2)c1c([O-])n(c(=O)[nH]c1=O)c1cccc(c1)C(F)(F)F	InChI=1S/C23H20F3N3O6/c1-28-7-6-11-8-14-18(35-10-34-14)19(33-2)15(11)17(28)16-20(30)27-22(32)29(21(16)31)13-5-3-4-12(9-13)23(24,25)26/h3-5,8-9,17,31H,6-7,10H2,1-2H3,(H,27,30,32)	C23H20F3N3O6	491.417	9	2	104.6	5	4	0	-1.645	1.94416	2.67	3.156	61.5045	118.0324	3.124	402.988000663321
Cond-008329	NPD959	NPD959	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.5194626924	CCOc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C21H30O7/c1-6-23-14-9-7-13(8-10-14)11-22-12-15-16-17(26-20(2,3)25-16)18-19(24-15)28-21(4,5)27-18/h7-10,15-19H,6,11-12H2,1-5H3/t15-,16+,17+,18-,19-/m1/s1	C21H30O7	394.459	7	0	64.61	4	6	0	-0.526999999999999	3.15969	3	3.044	75.7137	101.095	2.915	365.06851184233
Cond-008330	NPD96	NPD96	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1921441081	CC(NC(=O)CCC(=O)NC(C)C1COc2c(O1)cccc2)C1COc2c(O1)cccc2	InChI=1S/C24H28N2O6/c1-15(21-13-29-17-7-3-5-9-19(17)31-21)25-23(27)11-12-24(28)26-16(2)22-14-30-18-8-4-6-10-20(18)32-22/h3-10,15-16,21-22H,11-14H2,1-2H3,(H,25,27)(H,26,28)	C24H28N2O6	440.489	8	2	95.12	4	9	0	-1.8922	3.69147	3.22	2.84	65.2712	124.5144	3.2636	406.077465931702
Cond-008331	NPD960	NPD960	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.945176153	COc1ccc(CC2(CN3CCc4c(cc(OC)c(OC)c4)[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	InChI=1S/C28H35N3O7/c1-17-21-14-24(38-7)23(37-6)12-18(21)10-11-31(17)16-28(25(32)29(2)27(34)30(3)26(28)33)15-19-8-9-20(35-4)13-22(19)36-5/h8-9,12-14,17H,10-11,15-16H2,1-7H3/t17-/m0/s1	C28H35N3O7	525.593	10	0	97.85	4	8	0	-0.498	2.17649	3.44	2.015	93.7745	141.933	3.9427	492.411932643097
Cond-008332	NPD961	NPD961	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.416248936	[C@@H]12Cc3c(c(C)nn3C(=O)C3(CCCC3)c3ccc(Cl)cc3)[C@@H]1C2(C)C	InChI=1S/C22H25ClN2O/c1-13-18-17(12-16-19(18)21(16,2)3)25(24-13)20(26)22(10-4-5-11-22)14-6-8-15(23)9-7-14/h6-9,16,19H,4-5,10-12H2,1-3H3/t16-,19-/m1/s1	C22H25ClN2O	368.9	3	0	34.89	5	3	1	0.668800000000002	5.84590000000001	3.44	6.026	62.7514	107.177	2.7881	335.661889648397
Cond-008333	NPD962	NPD962	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3278252887	COc1cc2c(CCN(CC(=O)c3c(C)[nH]c4c3ccc(C)c4)[C@H]2C)cc1O	InChI=1S/C23H26N2O3/c1-13-5-6-17-19(9-13)24-14(2)23(17)21(27)12-25-8-7-16-10-20(26)22(28-4)11-18(16)15(25)3/h5-6,9-11,15,24,26H,7-8,12H2,1-4H3/t15-/m0/s1	C23H26N2O3	378.464	5	2	65.56	4	4	0	-0.0352999999999998	3.34543000000001	3.44	3.891	55.6816	112.2428	2.9466	351.510801204152
Cond-008334	NPD963	NPD963	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8664433745	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)ON1C(=O)CCC1=O	InChI=1S/C29H37NO9/c1-27-12-9-18(31)15-17(27)3-4-19-20(27)10-13-28(2)21(19)11-14-29(28,37)22(32)16-38-25(35)7-8-26(36)39-30-23(33)5-6-24(30)34/h15,19-21,37H,3-14,16H2,1-2H3/t19?,20?,21?,27-,28-,29-/m0/s1	C29H37NO9	543.605	10	1	144.35	5	9	0	-0.696299999999999	2.49698	3.55	1.139	135.4546	138.0608	3.9788	520.011308954553
Cond-008335	NPD965	NPD965	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.07222972	COc1cc(ccc1)N1C(=O)NC(=O)/C(=C/c2c(CCN(C)C(=O)C)cc3OCOc3c2OC)/C1=O	InChI=1S/C25H25N3O8/c1-14(29)27(2)9-8-15-10-20-22(36-13-35-20)21(34-4)18(15)12-19-23(30)26-25(32)28(24(19)31)16-6-5-7-17(11-16)33-3/h5-7,10-12H,8-9,13H2,1-4H3,(H,26,30,32)/b19-12-	C25H25N3O8	495.481	11	1	123.71	4	8	0	-1.2642	3.19876	3	1.735	78.7544	132.7937	3.4927	444.041288064458
Cond-008336	NPD966	NPD966	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.421708011	CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2NC(=O)C)[C@H](O)[C@@H]1OC(=O)C	InChI=1S/C31H42N2O15/c1-15(34)32-24-28(45-19(5)38)26(40)22(47-30(24)42-12-21-10-8-7-9-11-21)13-43-31-25(33-16(2)35)29(46-20(6)39)27(44-18(4)37)23(48-31)14-41-17(3)36/h7-11,22-31,40H,12-14H2,1-6H3,(H,32,34)(H,33,35)/t22-,23-,24-,25-,26+,27-,28-,29-,30+,31-/m1/s1	C31H42N2O15	682.67	17	3	220.55	3	19	2	-2.7553	-0.707509999999998	3	0.997	129.312	161.5032	4.84380000000001	626.881398617817
Cond-008337	NPD967	NPD967	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1616791548	CCOc1ccc(cc1)N1C(=O)NC(=O)C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc(OC)cc2)C1=O	InChI=1S/C32H34N4O6/c1-3-42-26-13-9-24(10-14-26)36-30(39)32(29(38)33-31(36)40,16-21-7-11-25(41-2)12-8-21)20-34-17-22-15-23(19-34)27-5-4-6-28(37)35(27)18-22/h4-14,22-23H,3,15-20H2,1-2H3,(H,33,38,40)/t22-,23+,32?/m1/s1	C32H34N4O6	570.636	10	1	108.49	6	8	0	-1.3844	3.75316000000001	3.88	3.08	105.5216	157.8667	4.2012	531.180111150169
Cond-008338	NPD969	NPD969	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1461349967	COc1ccccc1N1CCN(CC1)C(=O)c1cc2cccc(OC)c2oc1=O	InChI=1S/C22H22N2O5/c1-27-18-8-4-3-7-17(18)23-10-12-24(13-11-23)21(25)16-14-15-6-5-9-19(28-2)20(15)29-22(16)26/h3-9,14H,10-13H2,1-2H3	C22H22N2O5	394.42	7	0	68.31	4	5	0	-0.497700000000001	3.43406	3.11	3.047	59.2101	113.059	2.8801	360.058811278607
Cond-008339	NPD97	NPD97	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.556012916	C[C@H]1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)c2ccccc2)O[C@@]21CCC(C)CO2	InChI=1S/C34H46O4/c1-21-12-17-34(36-20-21)22(2)30-29(38-34)19-28-26-11-10-24-18-25(37-31(35)23-8-6-5-7-9-23)13-15-32(24,3)27(26)14-16-33(28,30)4/h5-10,21-22,25-30H,11-20H2,1-4H3/t21?,22-,25?,26?,27?,28?,29?,30?,32-,33-,34+/m0/s1	C34H46O4	518.727	4	0	44.76	7	3	1	0.646299999999998	7.47318000000001	4.76	9.527	117.9145	150.091	4.1588	521.203338372914
Cond-008340	NPD970	NPD970	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.6759916896	Cn1c2c(n(CCCc3ccccc3)c(NCCO)n2)c(=O)n(C)c1=O	InChI=1S/C18H23N5O3/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)19-10-12-24)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,24H,6,9-12H2,1-2H3,(H,19,20)	C18H23N5O3	357.407	8	2	90.7	3	7	0	-1.6049	2.34067	2.56	2.778	56.9537	103.5615	2.6931	323.914076100919
Cond-008341	NPD971	NPD971	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9649477822	COc1c2OCOc2c(C(=O)/C=C/c2ccncc2)c2c1CN(C)CC2	InChI=1S/C20H20N2O4/c1-22-10-7-14-15(11-22)18(24-2)20-19(25-12-26-20)17(14)16(23)4-3-13-5-8-21-9-6-13/h3-6,8-9H,7,10-12H2,1-2H3/b4-3+	C20H20N2O4	352.384	6	0	60.89	4	4	0	0.137099999999998	2.70458	3	1.591	52.8483	100.287	2.5826	319.313074027113
Cond-008342	NPD972	NPD972	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	22.6647464866	[C@@H]12CCC3C4CC=C(C(=O)C)[C@@]4(C)CCC3[C@@]1(C)CCC(C2)OC(=O)CCN1CCCC1	InChI=1S/C28H43NO3/c1-19(30)23-8-9-24-22-7-6-20-18-21(32-26(31)12-17-29-15-4-5-16-29)10-13-27(20,2)25(22)11-14-28(23,24)3/h8,20-22,24-25H,4-7,9-18H2,1-3H3/t20-,21?,22?,24?,25?,27-,28+/m0/s1	C28H43NO3	441.646	4	0	46.61	5	6	1	0.168800000000002	5.71218000000001	4.1	6.498	121.2771	129.018	3.6577	460.51979892852
Cond-008343	NPD973	NPD973	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.7307834488	COc1ccc(cc1OC)C(=O)NCC1(CCCC1)c1ccc(OC)c(OC)c1	InChI=1S/C23H29NO5/c1-26-18-9-7-16(13-20(18)28-3)22(25)24-15-23(11-5-6-12-23)17-8-10-19(27-2)21(14-17)29-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,25)	C23H29NO5	399.48	6	1	66.02	3	9	0	-1.6514	3.93119000000001	3.33	4.17	59.5914	114.5927	3.1158	383.987411798708
Cond-008344	NPD974	NPD974	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1128493752	[C@@H]12C(C)N(C)C(=O)N(C)[C@@H]1N(C)C(=O)N(C)C2c1ccc(O)c(OC)c1	InChI=1S/C18H26N4O4/c1-10-14-15(11-7-8-12(23)13(9-11)26-6)20(3)18(25)22(5)16(14)21(4)17(24)19(10)2/h7-10,14-16,23H,1-6H3/t10?,14-,15?,16+/m0/s1	C18H26N4O4	362.423	8	1	76.56	3	2	0	-1.5817	1.02399	2.56	0.409	71.2272	98.0598000000001	2.738	337.880459994913
Cond-008345	NPD975	NPD975	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1555492812	COc1ccc(NC(=O)NC2N(C)CCc3cc4c(OCO4)c(OC)c23)cc1	InChI=1S/C20H23N3O5/c1-23-9-8-12-10-15-17(28-11-27-15)18(26-3)16(12)19(23)22-20(24)21-13-4-6-14(25-2)7-5-13/h4-7,10,19H,8-9,11H2,1-3H3,(H2,21,22,24)	C20H23N3O5	385.414	8	2	81.29	4	6	0	-0.519099999999998	3.65397	2.78	1.972	52.9825	110.0474	2.7841	341.736519636641
Cond-008346	NPD976	NPD976	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9719771299	COc1ccc(CCNC(=O)NC2N(C)CCc3cc4c(OCO4)c(OC)c23)cc1OC	InChI=1S/C23H29N3O6/c1-26-10-8-15-12-18-20(32-13-31-18)21(30-4)19(15)22(26)25-23(27)24-9-7-14-5-6-16(28-2)17(11-14)29-3/h5-6,11-12,22H,7-10,13H2,1-4H3,(H2,24,25,27)	C23H29N3O6	443.493	9	2	90.52	4	9	0	-0.303699999999999	2.78268000000001	3	1.829	69.4623	124.4404	3.2655	402.414700214802
Cond-008347	NPD977	NPD977	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9602213107	COc1ccccc1c1coc2cc(OCC(=O)OCC(C)C)ccc2c1=O	InChI=1S/C22H22O6/c1-14(2)11-28-21(23)13-26-15-8-9-17-20(10-15)27-12-18(22(17)24)16-6-4-5-7-19(16)25-3/h4-10,12,14H,11,13H2,1-3H3	C22H22O6	382.406	6	0	71.06	3	8	0	-0.581	4.94216	3.22	4.505	54.0739	109.9665	2.8478	359.211976263635
Cond-008348	NPD978	NPD978	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.696122243	CCOC(=O)c1c(oc2ccc(OCC(=O)OC(C)C)cc12)c1ccccc1	InChI=1S/C22H22O6/c1-4-25-22(24)20-17-12-16(26-13-19(23)27-14(2)3)10-11-18(17)28-21(20)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3	C22H22O6	382.406	6	0	74.97	3	9	1	-0.287300000000001	4.54978000000001	3.22	5.54	45.5694	110.398	2.8478	348.311976263635
Cond-008349	NPD979	NPD979	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.878432736	COc1c2OCOc2cc2c1C(N(C)CC2)c1nnnn1c1ccc(cc1)C(=O)N/N=C/c1c(O)cccc1	InChI=1S/C27H25N7O5/c1-33-12-11-17-13-21-24(39-15-38-21)25(37-2)22(17)23(33)26-29-31-32-34(26)19-9-7-16(8-10-19)27(36)30-28-14-18-5-3-4-6-20(18)35/h3-10,13-14,23,35H,11-12,15H2,1-2H3,(H,30,36)/b28-14+	C27H25N7O5	527.531	12	2	135.7	6	7	0	-1.1383	3.49507	3.11	4.339	56.3996	147.8835	3.6944	444.463783243975
Cond-008350	NPD98	NPD98	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5616712534	CC(C)CC(NC(=O)/C(=C\c1ccc2OCOc2c1)/NC(=O)c1ccccc1)C(=O)O	InChI=1S/C23H24N2O6/c1-14(2)10-18(23(28)29)25-22(27)17(24-21(26)16-6-4-3-5-7-16)11-15-8-9-19-20(12-15)31-13-30-19/h3-9,11-12,14,18H,10,13H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/b17-11+	C23H24N2O6	424.446	8	3	113.96	3	10	1	-1.1197	3.35367	3.11	5.135	61.2631	117.7137	3.1453	395.865022605036
Cond-008351	NPD980	NPD980	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0029782587	Cc1cc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)c2c(oc(=O)c3c2CCCC3)c1	InChI=1S/C24H23NO6/c1-14-11-18(21-16-9-5-6-10-17(16)24(29)31-19(21)12-14)30-13-20(26)25-22(23(27)28)15-7-3-2-4-8-15/h2-4,7-8,11-12,22H,5-6,9-10,13H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1	C24H23NO6	421.443	7	2	101.93	4	7	0	-1.2113	3.49299	3.33	4.77	59.3909	115.0255	3.0778	389.807788321935
Cond-008352	NPD981	NPD981	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.7623771821	COc1ccc(cc1COc1ccc(cc1)N(=O)=O)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C25H23N3O4/c1-31-23-11-6-16(14-17(23)15-32-19-9-7-18(8-10-19)28(29)30)24-25-21(12-13-26-24)20-4-2-3-5-22(20)27-25/h2-11,14,24,26-27H,12-13,15H2,1H3	C25H23N3O4	429.468	7	2	89.42	5	6	1	-0.158200000000001	5.10118	3.44	5.561	36.699	126.5927	3.1493	374.723922561413
Cond-008353	NPD982	NPD982	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.540509231	[nH+]1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)[O-])c2cc(OC)c(OC)cc2cc1	InChI=1S/C20H21NO7S/c1-25-16-8-12-5-6-21-15(14(12)10-18(16)27-3)7-13-9-17(26-2)19(28-4)11-20(13)29(22,23)24/h5-6,8-11H,7H2,1-4H3,(H,22,23,24)	C20H21NO7S	419.448	8	1	116.64	3	7	0	-2.5492	3.28259	2.67	1.47	42.6594	102.5394	2.931	354.65247667903
Cond-008354	NPD983	NPD983	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.2982236678	COc1ccccc1C(CCNC(=O)CCl)c1ccc(OC(C)C)cc1	InChI=1S/C21H26ClNO3/c1-15(2)26-17-10-8-16(9-11-17)18(12-13-23-21(24)14-22)19-6-4-5-7-20(19)25-3/h4-11,15,18H,12-14H2,1-3H3,(H,23,24)	C21H26ClNO3	375.889	4	1	47.56	2	10	1	-0.6533	5.13209	3.22	5.504	53.1528	110.0327	2.9476	359.382515617085
Cond-008355	NPD984	NPD984	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2607585359	C[C@]12CCC3C(CCC4=C/C(=N\OCC(=O)NCC(CC(=O)O)c5ccccc5)/CC[C@]34C)C1CC[C@]2(O)C#C	InChI=1S/C33H42N2O5/c1-4-33(39)17-14-28-26-11-10-24-19-25(12-15-31(24,2)27(26)13-16-32(28,33)3)35-40-21-29(36)34-20-23(18-30(37)38)22-8-6-5-7-9-22/h1,5-9,19,23,26-28,39H,10-18,20-21H2,2-3H3,(H,34,36)(H,37,38)/b35-25-/t23?,26?,27?,28?,31-,32-,33+/m0/s1	C33H42N2O5	546.697	7	3	108.22	5	9	1	0.0035000000000017	5.45016000000001	4.32	6.768	124.3108	157.8043	4.3214	548.858183462341
Cond-008356	NPD985	NPD985	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4108808411	COc1ccc(C(=O)CC2(O)C(=O)Nc3c2cc(Br)cc3)c(OC)c1	InChI=1S/C18H16BrNO5/c1-24-11-4-5-12(16(8-11)25-2)15(21)9-18(23)13-7-10(19)3-6-14(13)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)	C18H16BrNO5	406.227	6	2	84.86	3	5	0	-0.823800000000001	3.16109	2.67	3.025	45.435	97.9145	2.5433	314.15464894614
Cond-008357	NPD986	NPD986	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3848533482	CCCCOc1ccc(/C=C/C(=O)c2c3OCOc3c(OC)c3c2CCN(C)C3)cc1	InChI=1S/C25H29NO5/c1-4-5-14-29-18-9-6-17(7-10-18)8-11-21(27)22-19-12-13-26(2)15-20(19)23(28-3)25-24(22)30-16-31-25/h6-11H,4-5,12-16H2,1-3H3/b11-8+	C25H29NO5	423.501	6	0	57.23	4	8	0	-0.530100000000001	4.48848000000001	3.55	4.104	70.9015	122.895	3.246	403.586463648841
Cond-008358	NPD987	NPD987	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.372781645	COc1c(Cl)cc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1	InChI=1S/C19H24ClNO7/c1-18(2)25-12-13(26-18)15-17(28-19(3,4)27-15)24-14(12)16(22)21-9-6-7-11(23-5)10(20)8-9/h6-8,12-15,17H,1-5H3,(H,21,22)/t12-,13+,14+,15-,17-/m1/s1	C19H24ClNO7	413.849	8	1	84.48	4	4	0	-0.643699999999999	3.51758	2.56	2.202	73.3584	102.6427	2.8124	354.047911868396
Cond-008359	NPD988	NPD988	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4657679857	COC(=O)c1c(NC(=O)CN2CCc3c(cc(OC)c(OC)c3)[C@@H]2C)c2c([nH]1)ccc(Cl)c2	InChI=1S/C24H26ClN3O5/c1-13-16-11-20(32-3)19(31-2)9-14(16)7-8-28(13)12-21(29)27-22-17-10-15(25)5-6-18(17)26-23(22)24(30)33-4/h5-6,9-11,13,26H,7-8,12H2,1-4H3,(H,27,29)/t13-/m0/s1	C24H26ClN3O5	471.933	8	2	92.89	4	8	0	-0.323800000000001	3.73348000000001	3.11	3.165	68.8977	130.2327	3.3841	409.958608508941
Cond-008360	NPD989	NPD989	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7428670669	COC(=O)C1=C(O)C2=C(CC(C)(C)CC2=O)N2CCc3c(cccc3)C12	InChI=1S/C21H23NO4/c1-21(2)10-14-16(15(23)11-21)19(24)17(20(25)26-3)18-13-7-5-4-6-12(13)8-9-22(14)18/h4-7,18,24H,8-11H2,1-3H3	C21H23NO4	353.412	5	1	66.84	4	2	0	0.782100000000001	2.97287	3.22	4.995	74.853	98.2368	2.6667	339.148757145613
Cond-008361	NPD99	NPD99	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.0322742057	CC(NC(=O)C(=O)NC(C)C1COc2c(O1)cccc2)C1COc2c(O1)cccc2	InChI=1S/C22H24N2O6/c1-13(19-11-27-15-7-3-5-9-17(15)29-19)23-21(25)22(26)24-14(2)20-12-28-16-8-4-6-10-18(16)30-20/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)	C22H24N2O6	412.436	8	2	95.12	4	7	0	-1.9618	2.91127	3	2.862	56.1728	115.2804	2.9818	371.485496679969
Cond-008362	NPD990	NPD990	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4955554521	COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C2=O)c2cccc(Cl)c2)cc1	InChI=1S/C30H29ClN4O5/c1-40-24-10-8-19(9-11-24)14-30(27(37)32-29(39)35(28(30)38)23-5-2-4-22(31)13-23)18-33-15-20-12-21(17-33)25-6-3-7-26(36)34(25)16-20/h2-11,13,20-21H,12,14-18H2,1H3,(H,32,37,39)/t20-,21+,30?/m1/s1	C30H29ClN4O5	561.028	9	1	99.26	6	6	0	-0.838699999999999	4.00786	3.66	3.197	99.5276	151.7077	3.9831	503.008982968308
Cond-008363	NPD991	NPD991	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4755123307	COc1c(OC)c(/C=N/C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1	InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)24(11-21-17)9-8-14(25)20-10-12-6-5-7-13(28-3)16(12)29-4/h5-7,10-11H,8-9H2,1-4H3/b20-10+	C19H21N5O5	399.401	10	0	106.33	3	7	0	-1.3945	2.51986	2.45	0.872	65.361	111.0235	2.8654	353.517596726308
Cond-008364	NPD992	NPD992	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.863097306	CC(C)C1=C(O)C(=O)/C(=C\Nc2cccnc2)/c2c(O)c(c(C)cc12)c1c(O)c2c(cc1C)C(=C(O)C(=O)/C/2=C\Nc1cnccc1)C(C)C	InChI=1S/C40H38N4O6/c1-19(2)29-25-13-21(5)31(37(47)33(25)27(35(45)39(29)49)17-43-23-9-7-11-41-15-23)32-22(6)14-26-30(20(3)4)40(50)36(46)28(34(26)38(32)48)18-44-24-10-8-12-42-16-24/h7-20,43-44,47-50H,1-6H3/b27-17-,28-18-	C40H38N4O6	670.753	10	6	164.9	6	7	2	-0.938600000000003	8.83736999999999	4.76	7.246	100.0494	196.7948	5.07040000000001	631.9292359523
Cond-008365	NPD993	NPD993	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.3832249094	[C@@H]12CCC3C(CC[C@@]4(C)C3CC(=O)NC4=O)[C@@]1(C)CCC(C2)OC(=O)C	InChI=1S/C21H31NO4/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(24)22-19(21)25/h13-17H,4-11H2,1-3H3,(H,22,24,25)/t13-,14?,15?,16?,17?,20-,21-/m0/s1	C21H31NO4	361.475	5	1	72.47	4	2	0	-0.132299999999997	3.44739	3.22	4.077	91.4924	99.0567	2.8387	360.594591948813
Cond-008366	NPD994	NPD994	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.5073805354	COc1ccc(CN(CCC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(=O)C)cc1	InChI=1S/C29H35NO3/c1-21(2)33-28-16-12-26(13-17-28)29(25-10-6-22(3)7-11-25)18-19-30(23(4)31)20-24-8-14-27(32-5)15-9-24/h6-17,21,29H,18-20H2,1-5H3	C29H35NO3	445.593	4	0	38.77	3	11	2	-0.532299999999997	5.95881000000001	4.21	9.062	58.6139	134.393	3.7148	451.373490050386
Cond-008367	NPD995	NPD995	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	65.8390028306	[C@H]12CCCCN1CCC[C@H]2COC(=O)Nc1c(Cl)cccc1Cl	InChI=1S/C17H22Cl2N2O2/c18-13-6-3-7-14(19)16(13)20-17(22)23-11-12-5-4-10-21-9-2-1-8-15(12)21/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,20,22)/t12-,15+/m0/s1	C17H22Cl2N2O2	357.275	4	1	41.57	3	5	0	0.1997	5.00448	2.67	3.897	59.3575	96.4657	2.5679	314.069095793257
Cond-008368	NPD996	NPD996	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.937267411	COc1ccc(cc1)c1cc(=O)oc2cc(OCC(=O)OC(C)C)ccc12	InChI=1S/C21H20O6/c1-13(2)26-21(23)12-25-16-8-9-17-18(11-20(22)27-19(17)10-16)14-4-6-15(24-3)7-5-14/h4-11,13H,12H2,1-3H3	C21H20O6	368.38	6	0	71.06	3	7	0	-0.3722	3.92827	3.11	4.368	50.299	103.115	2.7069	341.915991637768
Cond-008369	NPD998	NPD998	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.823806256	CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)Nc1cc(ccc1)C(F)(F)F	InChI=1S/C19H22F3NO6/c1-17(2)26-11-12(27-17)14-16(29-18(3,4)28-14)25-13(11)15(24)23-10-7-5-6-9(8-10)19(20,21)22/h5-8,11-14,16H,1-4H3,(H,23,24)/t11-,12+,13+,14-,16-/m1/s1	C19H22F3NO6	417.376	7	1	75.25	4	4	0	-0.2381	3.53328	2.45	3.664	66.8616	95.3047	2.6844	348.249293948321
Cond-008370	NPD999	NPD999	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.2421816362	CC(C)Oc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1	InChI=1S/C30H36ClNO3/c1-22(2)34-27-14-10-24(11-15-27)21-32(30(33)20-31)19-18-29(25-8-6-5-7-9-25)26-12-16-28(17-13-26)35-23(3)4/h5-17,22-23,29H,18-21H2,1-4H3	C30H36ClNO3	494.065	4	0	38.77	3	13	2	-0.6918	6.92829000000001	4.21	9.859	67.3636	145.011	3.97810000000001	483.880542446686
Cond-008371	NPE1	10-[(1,3-benzooxazole-2-ylsulfanyl)acetyl]-2-(trifluoromethyl)-10H-phenothiazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0194496172	FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1	InChI=1S/C22H13F3N2O2S2/c23-22(24,25)13-9-10-19-16(11-13)27(15-6-2-4-8-18(15)31-19)20(28)12-30-21-26-14-5-1-3-7-17(14)29-21/h1-11H,12H2	C22H13F3N2O2S2	458.476	4	0	96.94	5	5	1	1.2886	6.45945	2.89	6.926	35.6442	109.122	2.8895	349.479479740643
Cond-008372	NPE10	1-[1,1'-biphenyl]-4-yl-2-{2-[(3-hydroxypropyl)amino]-1H-benzoimidazole-1-yl}ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.419891027	OCCCNc1nc2ccccc2n1CC(=O)c1ccc(cc1)c1ccccc1	InChI=1S/C24H23N3O2/c28-16-6-15-25-24-26-21-9-4-5-10-22(21)27(24)17-23(29)20-13-11-19(12-14-20)18-7-2-1-3-8-18/h1-5,7-14,28H,6,15-17H2,(H,25,26)	C24H23N3O2	385.458	5	2	67.15	4	8	1	-1.5979	5.20767000000001	3.55	7.488	31.0066	122.1215	2.9996	352.203943235224
Cond-008373	NPE100	1-((3-Dimethylaminopropyl)amino)anthraquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9076326728	CN(C)CCCNc1cccc2c1C(=O)c1c(cccc1)C2=O	InChI=1S/C19H20N2O2/c1-21(2)12-6-11-20-16-10-5-9-15-17(16)19(23)14-8-4-3-7-13(14)18(15)22/h3-5,7-10,20H,6,11-12H2,1-2H3	C19H20N2O2	308.374	4	1	49.41	3	5	0	-0.995	2.79399	3.11	3.223	40.6194	94.4312	2.4329	296.793094700924
Cond-008374	NPE1000	9-ethyl-2-(4-phenylphenyl)-9-hydroimidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9285447156	CCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)c1ccccc1	InChI=1S/C23H19N3/c1-2-25-21-10-6-7-11-22(21)26-16-20(24-23(25)26)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3	C23H19N3	337.417	3	0	22.23	5	3	1	0.3791	6.95527	3.66	8.727	15.7865	112.125	2.6327	294.071046507435
Cond-008375	NPE1001	9-Fluoro-1-hydroxy-5-methyl-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid (3-diethylamino-propyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.4655401557	CCN(CC)CCCNC(=O)c1c(O)c2c3n(C(C)CCc3cc(F)c2)c1=O	InChI=1S/C21H28FN3O3/c1-4-24(5-2)10-6-9-23-20(27)17-19(26)16-12-15(22)11-14-8-7-13(3)25(18(14)16)21(17)28/h11-13,26H,4-10H2,1-3H3,(H,23,27)	C21H28FN3O3	389.464	6	2	72.88	3	8	0	-0.851700000000002	3.38518	3	3.973	78.7481	110.2995	2.9769	373.412527113292
Cond-008376	NPE1002	9H-Xanthene-9-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6487057205	O=C(NCc1ccc2OCOc2c1)C1c2ccccc2Oc2ccccc12	InChI=1S/C22H17NO4/c24-22(23-12-14-9-10-19-20(11-14)26-13-25-19)21-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)21/h1-11,21H,12-13H2,(H,23,24)	C22H17NO4	359.375	5	1	56.79	5	4	0	-1.2247	4.90328	3.33	4.788	24.8665	105.1607	2.57	314.378906968279
Cond-008377	NPE1003	Acetic acid (1R,2R,3R)-3-acetoxy-1-[(R)-1-(2-acetylamino-ethylsulfanylcarbonyl)-ethyl]-2-methoxy-2-methyl-pentyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.8200372927	CC[C@@H](OC(=O)C)[C@@](C)(OC)[C@H](OC(=O)C)[C@@H](C)C(=O)SCCNC(=O)C	InChI=1S/C18H31NO7S/c1-8-15(25-13(4)21)18(6,24-7)16(26-14(5)22)11(2)17(23)27-10-9-19-12(3)20/h11,15-16H,8-10H2,1-7H3,(H,19,20)/t11-,15-,16-,18-/m1/s1	C18H31NO7S	405.506	8	1	133.3	0	15	1	-0.236900000000003	1.93079	2.45	1.44	98.769	105.3687	3.147	400.375718332897
Cond-008378	NPE1004	Acetic acid (E)-(S)-1-[(R)-2-((S)-4-isopropyl-2-oxo-oxazolidin-3-yl)-1-methyl-2-oxo-ethyl]-2-methyl-pent-2-enyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4456987351	CC/C=C(\C)/[C@@H](OC(=O)C)[C@@H](C)C(=O)N1[C@H](COC1=O)C(C)C	InChI=1S/C17H27NO5/c1-7-8-11(4)15(23-13(6)19)12(5)16(20)18-14(10(2)3)9-22-17(18)21/h8,10,12,14-15H,7,9H2,1-6H3/b11-8+/t12-,14-,15-/m1/s1	C17H27NO5	325.4	6	0	72.91	1	8	0	1.1673	2.43808	2.67	2.509	83.9912	88.17	2.6166	334.633797547507
Cond-008379	NPE1005	adamantane-1,3-diphosphonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2205123349	[O-]P(=O)([O-])C12CC3CC(C1)CC(C3)(C2)P(=O)([O-])[O-]	InChI=1S/C10H18O6P2/c11-17(12,13)9-2-7-1-8(4-9)5-10(3-7,6-9)18(14,15)16/h7-8H,1-6H2,(H2,11,12,13)(H2,14,15,16)/p-4	C10H14O6P2----	292.162	6	0	146	0	2	0	-4.9908	-2.01491	1.68	-0.959000000000001	52.851	45.3705	1.8672	231.569878474833
Cond-008380	NPE1006	adamantanyl[2-(4-chloro-3,5-dimethylphenoxy)acetylamino]	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	12.3978296812	Cc1cc(OCC(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl	InChI=1S/C21H28ClN3O3/c1-12-3-17(4-13(2)19(12)22)28-11-18(26)24-25-20(27)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,14-16H,5-11H2,1-2H3,(H,24,26)(H2,23,25,27)	C21H28ClN3O3	405.918	6	3	79.46	1	8	0	-0.418899999999999	3.17282	3	4.24	80.0888	109.8551	3.016	372.836036033419
Cond-008381	NPE1007	allyl-[4-(2-bromo-4,5-dimethyl-phenoxy)-butyl]-amine 1oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9617639442	Cc1c(C)cc(OCCCC[NH2+]CC=C)c(Br)c1	InChI=1S/C15H22BrNO/c1-4-7-17-8-5-6-9-18-15-11-13(3)12(2)10-14(15)16/h4,10-11,17H,1,5-9H2,2-3H3/p+1	C15H23BrNO+	313.253	2	2	25.84	1	8	0	0.7411	2.84052	2.78	4.489	51.3294	79.7984	2.2965	274.582769821495
Cond-008382	NPE1008	alpha-Naphtholbenzein	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	41.754546844	Oc1ccc(/C(=C/2\C=CC(=O)c3c2cccc3)/c2ccccc2)c2c1cccc2	InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+	C27H18O2	374.431	2	1	37.3	5	2	1	-0.2864	6.23056	4.21	9.981	26.0325	121.2	2.8853	350.835781685124
Cond-008383	NPE1009	Amino-acetic acid 5-methyl-3-(4-methyl-thiazol-2-yl)-4-oxo-4H-chromen-7-yl ester 2Cl-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5420651315	[Cl-].[Cl-].Cc1csc([nH+]1)c1coc2cc(OC(=O)C[NH3+])cc(C)c2c1=O	InChI=1S/C16H14N2O4S.2ClH/c1-8-3-10(22-13(19)5-17)4-12-14(8)15(20)11(6-21-12)16-18-9(2)7-23-16;;/h3-4,6-7H,5,17H2,1-2H3;2*1H	C16H16Cl2N2O4S	403.28	6	4	122.62	3	4	0	-2.1753	2.26231	2.45	2.631	45.1871	91.4326	2.3341	283.631076982845
Cond-008384	NPE101	(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)methyl (2,3-dioxo-2,3-dihydro-1H-indole-1-yl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8799687335	O=C(CN1C(=O)C(=O)c2ccccc12)OCN1C(=O)c2ccccc2C1=O	InChI=1S/C19H12N2O6/c22-15(9-20-14-8-4-3-7-13(14)16(23)19(20)26)27-10-21-17(24)11-5-1-2-6-12(11)18(21)25/h1-8H,9-10H2	C19H12N2O6	364.308	8	0	101.06	4	5	0	-1.9443	1.77378	2.67	2.57	40.2581	94.6935	2.4301	311.688166699968
Cond-008385	NPE1010	Benzhydrylidenefluorene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.8834377706	c1ccc(cc1)C(=C1c2c(cccc2)c2c1cccc2)c1ccccc1	InChI=1S/C26H18/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18H	C26H18	330.421	0	0	0	5	2	1	0.0766	6.43119	4.32	14.274	7.8784	108.81	2.67	318.595802358935
Cond-008386	NPE1011	benzo[f]indole-2-sulfonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1659388646	OS(=O)(=O)c1cc2cc3c(cccc3)cc2[nH]1	InChI=1S/C12H9NO3S/c14-17(15,16)12-7-10-5-8-3-1-2-4-9(8)6-11(10)13-12/h1-7,13H,(H,14,15,16)	C12H9NO3S	247.27	4	2	78.54	3	1	0	-0.9619	2.59979	2.23	2.93	14.2194	61.7478	1.655	186.39661027145
Cond-008387	NPE1012	Benzoic acid (3S,6S)-6-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2-hydroxymethyl-6-methyl-tetrahydro-pyran-3-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	122.372177524	CC1(C)OCC(O1)[C@]1(C)CC[C@H](OC(=O)c2ccccc2)C(CO)O1	InChI=1S/C19H26O6/c1-18(2)22-12-16(25-18)19(3)10-9-14(15(11-20)24-19)23-17(21)13-7-5-4-6-8-13/h4-8,14-16,20H,9-12H2,1-3H3/t14-,15?,16?,19-/m0/s1	C19H26O6	350.406	6	1	74.22	3	5	0	-0.8969	2.26189	2.89	3.583	62.8286	93.1688	2.6401	331.406315890035
Cond-008388	NPE1013	Benzoic acid (3S,6S)-6-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-hydroxy-6-methyl-tetrahydro-pyran-3-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	123.916428757	CC1(C)OCC(O1)[C@]1(C)CC[C@H](OC(=O)c2ccccc2)C(CO)O1	InChI=1S/C19H26O6/c1-18(2)22-12-16(25-18)19(3)10-9-14(15(11-20)24-19)23-17(21)13-7-5-4-6-8-13/h4-8,14-16,20H,9-12H2,1-3H3/t14-,15?,16?,19-/m0/s1	C19H26O6	350.406	6	1	74.22	3	5	0	-0.8969	2.26189	2.89	3.583	62.8286	93.1688	2.6401	331.406315890035
Cond-008389	NPE1014	Benzoic acid (R)-4-((E)-(S)-3-methoxycarbonyl-1-methyl-but-2-enyl)-2,2,5-trimethyl-[1,3]dioxan-5-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.3654689311	COC(=O)/C(=C/[C@H](C)C1OC(C)(C)OC[C@@]1(C)OC(=O)c1ccccc1)/C	InChI=1S/C21H28O6/c1-14(12-15(2)18(22)24-6)17-21(5,13-25-20(3,4)26-17)27-19(23)16-10-8-7-9-11-16/h7-12,14,17H,13H2,1-6H3/b15-12+/t14-,17?,21+/m0/s1	C21H28O6	376.443	6	0	71.06	2	7	0	0.8979	3.66908	3.11	4.842	74.8978	103.0765	2.9445	373.081826440969
Cond-008390	NPE1015	Benzoic acid (R)-4-((E)-(S)-4-hydroxy-1,3-dimethyl-but-2-enyl)-2,2,5-trimethyl-[1,3]dioxan-5-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4348636799	C[C@@H](/C=C(\C)/CO)C1OC(C)(C)OC[C@@]1(C)OC(=O)c1ccccc1	InChI=1S/C20H28O5/c1-14(12-21)11-15(2)17-20(5,13-23-19(3,4)24-17)25-18(22)16-9-7-6-8-10-16/h6-11,15,17,21H,12-13H2,1-5H3/b14-11+/t15-,17?,20+/m0/s1	C20H28O5	348.433	5	1	64.99	2	6	0	0.438000000000001	3.22288	3.11	4.095	70.1862	97.9248	2.7879	349.632073815341
Cond-008391	NPE1016	Benzoic acid (R)-4-ethyl-2,2,5-trimethyl-6-[(S)-1-methyl-2-(1-naphthalen-2-yl-ethylcarbamoyloxy)-ethyl]-[1,3]dioxan-5-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8107141057	CCC1OC(C)(C)OC([C@@H](C)COC(=O)NC(C)c2cc3c(cccc3)cc2)[C@]1(C)OC(=O)c1ccccc1	InChI=1S/C32H39NO6/c1-7-27-32(6,39-29(34)24-14-9-8-10-15-24)28(38-31(4,5)37-27)21(2)20-36-30(35)33-22(3)25-18-17-23-13-11-12-16-26(23)19-25/h8-19,21-22,27-28H,7,20H2,1-6H3,(H,33,35)/t21-,22?,27?,28?,32+/m0/s1	C32H39NO6	533.655	7	1	83.09	4	11	2	-0.397699999999999	6.06579000000001	4.21	10.29	78.6064	152.4652	4.20500000000001	517.27566532887
Cond-008392	NPE1017	benzyl 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9001770237	CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)OCc1ccccc1	InChI=1S/C23H22N2O5S/c1-2-29-20-10-16(8-9-19(20)26)17-11-21(27)25-23(18(17)12-24)31-14-22(28)30-13-15-6-4-3-5-7-15/h3-10,17,26H,2,11,13-14H2,1H3,(H,25,27)	C23H22N2O5S	438.496	7	2	133.95	3	9	0	-0.367100000000002	3.25908000000001	3.11	3.533	66.6419	116.6035	3.2071	402.947361261274
Cond-008393	NPE1018	bicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	75.4699069679	N#CC1(C#N)C2CC(C=C2)C1(C#N)C#N	InChI=1S/C11H6N4/c12-4-10(5-13)8-1-2-9(3-8)11(10,6-14)7-15/h1-2,8-9H,3H2	C11H6N4	194.192	4	0	95.16	2	0	0	-0.1392	1.25182	2.23	-0.141	52.3652	49.303	1.4535	194.3582847092
Cond-008394	NPE1019	bis-(2-amino-triazo-5-yl)-methylene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8829490033	Nc1nnc(Cc2nnc(N)[nH]2)[nH]1	InChI=1S/C5H8N8/c6-4-8-2(10-12-4)1-3-9-5(7)13-11-3/h1H2,(H3,6,8,10,12)(H3,7,9,11,13)	C5H8N8	180.171	8	6	135.18	2	2	0	-2.6286	-1.20312	1.13	-0.924	17.9558	47.6288	1.2223	125.951711290667
Cond-008395	NPE102	1,3-Dioxolane, 4-(1-hydroxy-2-methyl-3-trimethylacetoxy)propyl-5-ethyl-4-methyl-2-(2,4,6-trimethylphenyl)-, (4S,5R, .alpha.R,.beta.S)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.5042080331	CCC1OC(O[C@@]1(C)[C@H](O)[C@@H](C)COC(=O)C(C)(C)C)c1c(C)cc(C)cc1C	InChI=1S/C24H38O5/c1-10-18-24(9,20(25)17(5)13-27-22(26)23(6,7)8)29-21(28-18)19-15(3)11-14(2)12-16(19)4/h11-12,17-18,20-21,25H,10,13H2,1-9H3/t17-,18?,20+,21?,24+/m0/s1	C24H38O5	406.556	5	1	64.99	2	8	1	2.7169	3.83245	3.55	5.704	87.7942	112.8068	3.3945	421.452471019608
Cond-008396	NPE1020	Cyclopropanecarboxylic acid [2-(3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-Ij]quinolin-2-ylmethanesulfonyl)-ethyl]-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.2189101956	O=C(NCCS(=O)(=O)Cc1cc2cccc3c2n(CCC3)c1=O)C1CC1	InChI=1S/C19H22N2O4S/c22-18(14-6-7-14)20-8-10-26(24,25)12-16-11-15-4-1-3-13-5-2-9-21(17(13)15)19(16)23/h1,3-4,11,14H,2,5-10,12H2,(H,20,22)	C19H22N2O4S	374.454	6	1	91.93	4	7	0	-1.2353	2.43578	2.78	1.621	71.7741	101.7057	2.6912	336.699030860446
Cond-008397	NPE1021	Cyclopropanecarboxylic acid N'-[1-(3,4-dichloro-benzyl)-piperidine-4-carbonyl]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5491564863	Clc1c(Cl)cc(CN2CCC(CC2)C(=O)NNC(=O)C2CC2)cc1	InChI=1S/C17H21Cl2N3O2/c18-14-4-1-11(9-15(14)19)10-22-7-5-13(6-8-22)17(24)21-20-16(23)12-2-3-12/h1,4,9,12-13H,2-3,5-8,10H2,(H,20,23)(H,21,24)	C17H21Cl2N3O2	370.274	5	2	61.44	3	7	0	-0.0871999999999993	2.65719	2.56	2.32	65.1188	95.9594	2.6247	322.429397300624
Cond-008398	NPE1022	Cyclopropanecarboxylic acid (N'-[2-[5-(3,5-bis-trifluoromethyl-phenyl)-tetrazol-2-yl]-acetyl]-hydrazinocarbothioyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3094822571	FC(F)(F)c1cc(cc(c1)C(F)(F)F)c1nn(CC(=O)N[N-]C(=S)NC(=O)C2CC2)nn1	InChI=1S/C16H13F6N7O2S/c17-15(18,19)9-3-8(4-10(5-9)16(20,21)22)12-25-28-29(27-12)6-11(30)24-26-14(32)23-13(31)7-1-2-7/h3-5,7H,1-2,6H2,(H3,23,24,25,26,27,28,30,31,32)/p-1	C16H12F6N7O2S-	480.368	9	2	133.89	3	11	1	1.8872	2.59898	1.46	3.403	63.1709	101.8354	2.7574	353.485089673195
Cond-008399	NPE1023	Decanoic acid (7-methoxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-yl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4833550527	CCCCCCCCCC(=O)Nc1nc2c(CCc3cc(OC)ccc23)s1	InChI=1S/C22H30N2O2S/c1-3-4-5-6-7-8-9-10-20(25)23-22-24-21-18-13-12-17(26-2)15-16(18)11-14-19(21)27-22/h12-13,15H,3-11,14H2,1-2H3,(H,23,24,25)	C22H30N2O2S	386.551	4	1	79.46	3	11	2	-1.7079	7.28407000000001	3.33	6.494	62.6971	118.1607	3.1051	372.462990037725
Cond-008400	NPE1024	diethyl 3-cyano-4-(hexyloxy)benzylphosphonate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.714430344	CCCCCCOc1ccc(CP(=O)(OCC)OCC)cc1C#N	InChI=1S/C18H28NO4P/c1-4-7-8-9-12-21-18-11-10-16(13-17(18)14-19)15-24(20,22-5-2)23-6-3/h10-11,13H,4-9,12,15H2,1-3H3	C18H28NO4P	353.393	5	0	78.36	1	12	1	-0.922699999999997	4.70329000000001	2.78	4.234	63.9445	92.6475000000001	2.8604	349.430350180013
Cond-008401	NPE1025	(E)-(2R,3R)-3-Hydroxy-2,4-dimethyl-hept-4-enoic acid benzyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4492768231	CC/C=C(\C)/[C@H](O)[C@@H](C)C(=O)OCc1ccccc1	InChI=1S/C16H22O3/c1-4-8-12(2)15(17)13(3)16(18)19-11-14-9-6-5-7-10-14/h5-10,13,15,17H,4,11H2,1-3H3/b12-8+/t13-,15+/m1/s1	C16H22O3	262.344	3	1	46.53	1	7	0	0.382100000000001	2.90368	2.89	4.12	49.7314	77.6738	2.2155	275.22414061155
Cond-008402	NPE1026	(E)-5-[(2R,3S,6S)-3-Butoxy-6-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-6-methyl-tetrahydro-pyran-2-yl]-3-methyl-pent-2-en-1-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1958877186	[C@H]1(CC/C(=C/CO)/C)O[C@@](C)(CC[C@@H]1OCCCC)[C@H]1COC(C)(C)O1	InChI=1S/C21H38O5/c1-6-7-14-23-17-10-12-21(5,19-15-24-20(3,4)26-19)25-18(17)9-8-16(2)11-13-22/h11,17-19,22H,6-10,12-15H2,1-5H3/b16-11+/t17-,18+,19+,21-/m0/s1	C21H38O5	370.523	5	1	57.15	2	9	0	-0.784399999999998	3.90589000000001	3.22	3.144	96.9677	101.8708	3.1008	388.373893244408
Cond-008403	NPE1027	Ethanediamide, N1-[2-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]ethyl]-N2-(1-methylethyl)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5328470566	CC(C)NC(=O)C(=O)NCC[NH+]1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	InChI=1S/C18H26Cl2N4O2/c1-13(2)22-18(26)17(25)21-5-6-23-7-9-24(10-8-23)12-14-3-4-15(19)16(20)11-14/h3-4,11,13H,5-10,12H2,1-2H3,(H,21,25)(H,22,26)/p+2	C18H28Cl2N4O2++	403.347	6	4	67.08	2	9	0	-2.5354	-1.18801	2.56	1.42	74.2949	105.2018	3.017	365.715059536258
Cond-008404	NPE1028	ethyl 1-benzyl-6-bromo-5-hydroxy-2-(4-morpholinylmethyl)-1H-indole-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9847570954	CCOC(=O)c1c(C[NH+]2CCOCC2)n(Cc2ccccc2)c2cc(Br)c(O)cc12	InChI=1S/C23H25BrN2O4/c1-2-30-23(28)22-17-12-21(27)18(24)13-19(17)26(14-16-6-4-3-5-7-16)20(22)15-25-8-10-29-11-9-25/h3-7,12-13,27H,2,8-11,14-15H2,1H3/p+1	C23H26BrN2O4+	474.368	6	2	65.13	4	7	0	-0.825099999999998	2.65069	3.22	4.206	60.2362	120.5745	3.2018	380.90287623268
Cond-008405	NPE1029	ethyl 2-{2-[(2-methylpropyl)amino]acetylamino}-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	53.93109428	CCOC(=O)c1c(NC(=O)CNCC(C)C)scc1c1ccccc1	InChI=1S/C19H24N2O3S/c1-4-24-19(23)17-15(14-8-6-5-7-9-14)12-25-18(17)21-16(22)11-20-10-13(2)3/h5-9,12-13,20H,4,10-11H2,1-3H3,(H,21,22)	C19H24N2O3S	360.47	5	2	95.67	2	10	1	0.179700000000001	3.25028	2.89	5.158	58.3592	102.5064	2.8067	339.085262860685
Cond-008406	NPE103	1,3-Dioxolane-4-ethanol, 2,2-dimethyl-.beta.-(phenylmethoxy)-, (.beta.S,4S)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.8639318651	CC1(C)OCC(O1)[C@H](CO)OCc1ccccc1	InChI=1S/C14H20O4/c1-14(2)17-10-13(18-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13?/m0/s1	C14H20O4	252.306	4	1	47.92	2	5	0	-0.866000000000001	1.3761	2.56	2.717	42.4523	66.2528	1.9698	242.338856761178
Cond-008407	NPE1030	ethyl 2-(2-{[3-(dimethylamino)propyl]amino}acetylamino)-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.7187922373	CCOC(=O)c1c(NC(=O)CNCCCN(C)C)scc1c1ccccc1	InChI=1S/C20H27N3O3S/c1-4-26-20(25)18-16(15-9-6-5-7-10-15)14-27-19(18)22-17(24)13-21-11-8-12-23(2)3/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3,(H,22,24)	C20H27N3O3S	389.512	6	2	98.91	2	12	1	-0.451800000000002	2.54598	2.89	4.291	66.0066	110.8394	3.0474	367.378007694719
Cond-008408	NPE1031	ethyl 2-{2-[(3-hydroxypropyl)amino]acetylamino}-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5391579323	CCOC(=O)c1c(NC(=O)CNCCCO)scc1c1ccccc1	InChI=1S/C18H22N2O4S/c1-2-24-18(23)16-14(13-7-4-3-5-8-13)12-25-17(16)20-15(22)11-19-9-6-10-21/h3-5,7-8,12,19,21H,2,6,9-11H2,1H3,(H,20,22)	C18H22N2O4S	362.443	6	3	115.9	2	11	1	-1.1299	1.97668	2.67	3.729	54.2798	99.3712	2.7245	330.579504935379
Cond-008409	NPE1032	ethyl 2-{2-[bisbenzylamino]acetylamino}-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9810267003	CCOC(=O)c1c(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)scc1c1ccccc1	InChI=1S/C29H28N2O3S/c1-2-34-29(33)27-25(24-16-10-5-11-17-24)21-35-28(27)30-26(32)20-31(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17,21H,2,18-20H2,1H3,(H,30,32)	C29H28N2O3S	484.609	5	1	86.88	4	12	2	0.0520000000000003	5.02808000000001	3.99	10.135	48.4016	140.2847	3.7405	449.713439512953
Cond-008410	NPE1033	ethyl 2-[2-(cyclohexylamino)acetylamino]-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.4724708643	CCOC(=O)c1c(NC(=O)CNC2CCCCC2)scc1c1ccccc1	InChI=1S/C21H26N2O3S/c1-2-26-21(25)19-17(15-9-5-3-6-10-15)14-27-20(19)23-18(24)13-22-16-11-7-4-8-12-16/h3,5-6,9-10,14,16,22H,2,4,7-8,11-13H2,1H3,(H,23,24)	C21H26N2O3S	386.508	5	2	95.67	3	9	1	-1.8952	3.92698000000001	3.11	5.908	57.3351	109.6744	2.9799	361.320773411619
Cond-008411	NPE1034	ethyl 2-[2-(diethylamino)acetylamino]-4-phenylthiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.9791905746	CCOC(=O)c1c(NC(=O)CN(CC)CC)scc1c1ccccc1	InChI=1S/C19H24N2O3S/c1-4-21(5-2)12-16(22)20-18-17(19(23)24-6-3)15(13-25-18)14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3,(H,20,22)	C19H24N2O3S	360.47	5	1	86.88	2	10	1	0.7342	3.34648	2.89	5.165	58.9582	102.5867	2.8067	339.085262860685
Cond-008412	NPE1035	ethyl 2-({[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.1986637688	CCOC(=O)c1c(NC(=O)CSc2nc(C)nc3c2c2c(CCCC2)s3)sc2c1CCC2	InChI=1S/C23H25N3O3S3/c1-3-29-23(28)19-14-8-6-10-16(14)32-22(19)26-17(27)11-30-20-18-13-7-4-5-9-15(13)31-21(18)25-12(2)24-20/h3-11H2,1-2H3,(H,26,27)	C23H25N3O3S3	487.658	6	1	162.96	5	8	0	1.0201	4.77998000000001	3	4.518	84.9341	126.9247	3.4283	405.678174884319
Cond-008413	NPE1036	ethyl 2-[({[3-cyano-6-methyl-4-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0615214842	CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(c3cccs3)c2C#N)sc2c1CCCC2	InChI=1S/C24H23N3O3S3/c1-3-30-24(29)21-15-7-4-5-8-19(15)33-23(21)27-20(28)13-32-22-17(12-25)16(11-14(2)26-22)18-9-6-10-31-18/h6,9-11H,3-5,7-8,13H2,1-2H3,(H,27,28)	C24H23N3O3S3	497.653	6	1	173.86	4	9	1	1.413	6.73220000000001	3.11	5.067	78.7377	136.1282	3.5488	427.421242108586
Cond-008414	NPE1037	ethyl 2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8005151018	CCOC(=O)c1c(NC(=O)CSc2nnc3cc(C)c4c(cccc4)n23)sc2c1CCC2	InChI=1S/C23H22N4O3S2/c1-3-30-22(29)20-15-8-6-10-17(15)32-21(20)24-19(28)12-31-23-26-25-18-11-13(2)14-7-4-5-9-16(14)27(18)23/h4-5,7,9,11H,3,6,8,10,12H2,1-2H3,(H,24,28)	C23H22N4O3S2	466.576	7	1	139.13	5	8	1	1.2914	3.63248	3	5.516	64.5016	122.0537	3.2786	381.992993633285
Cond-008415	NPE1038	ethyl 2-({[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6756338976	CCOC(=O)c1c(NC(=O)CSc2nnc3c([nH]c4c3cc(C)cc4C)n2)sc2c1CCCC2	InChI=1S/C24H25N5O3S2/c1-4-32-23(31)18-14-7-5-6-8-16(14)34-22(18)25-17(30)11-33-24-27-21-20(28-29-24)15-10-12(2)9-13(3)19(15)26-21/h9-10H,4-8,11H2,1-3H3,(H,25,30)(H,26,27,29)	C24H25N5O3S2	495.617	8	2	163.4	5	8	0	1.2118	3.59749000000001	3	4.964	73.3173	130.4807	3.5193	410.285738467319
Cond-008416	NPE1039	ethyl 2-amino-3-[3-(1,3-dioxobenzo[c]azolin-2-yl)propylthio]propanoate, trifluoroacetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2537614027	[O-]C(=O)C(F)(F)F.CCOC(=O)C(N)CSCCCN1C(=O)C2CC=CC=C2C1=O	InChI=1S/C16H22N2O4S.C2HF3O2/c1-2-22-16(21)13(17)10-23-9-5-8-18-14(19)11-6-3-4-7-12(11)15(18)20;3-2(4,5)1(6)7/h3-4,6,12-13H,2,5,7-10,17H2,1H3;(H,6,7)/p-1	C18H22F3N2O6S-	451.437	6	2	115	2	9	0	-0.4086	0.95767	2.45	0.676	88.9559	91.3034	2.5287	323.060453085246
Cond-008417	NPE104	1,3-Dioxolane-4-methanol, 5-(2-(1-ethoxyethoxy)-1-methylethyl)-2,2,4-trimethyl-, [4R,5S,5.alpha.S]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7502393791	CCOC(C)OC[C@H](C)[C@H]1OC(C)(C)O[C@]1(C)CO	InChI=1S/C14H28O5/c1-7-16-11(3)17-8-10(2)12-14(6,9-15)19-13(4,5)18-12/h10-12,15H,7-9H2,1-6H3/t10-,11?,12+,14+/m0/s1	C14H28O5	276.369	5	1	57.15	1	7	0	0.1327	1.9241	2.45	1.711	70.9784	71.7318	2.2661	282.294918264939
Cond-008418	NPE1040	ethyl 2-methyl-9-[2-(4-morpholinyl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1135406019	CCOC(=O)C1=[N+]2c3ccccc3[N+](=C2N=C1C)CC[NH+]1CCOCC1	InChI=1S/C19H24N4O3/c1-3-26-18(24)17-14(2)20-19-22(9-8-21-10-12-25-13-11-21)15-6-4-5-7-16(15)23(17)19/h4-7H,3,8-13H2,1-2H3/q+2/p+1	C19H25N4O3+++	357.427	7	1	52.33	4	5	0	-4.4208	-0.66473	2.78	2.106	71.7965	106.7617	2.6686	NA
Cond-008419	NPE1041	ethyl 4-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridine-2-yl]sulfanyl}-3-oxobutanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9464330873	CCOC(=O)CC(=O)CSc1c(ccc(n1)c1ccc(OC)c(OC)c1)C#N	InChI=1S/C20H20N2O5S/c1-4-27-19(24)10-15(23)12-28-20-14(11-21)5-7-16(22-20)13-6-8-17(25-2)18(9-13)26-3/h5-9H,4,10,12H2,1-3H3	C20H20N2O5S	400.448	7	0	123.81	2	10	0	0.352499999999999	3.36649	2.78	2.868	59.3631	106.875	2.936	366.052324785274
Cond-008420	NPE1042	ethyl 5-(2-dodecanoylhydrazino)-3-methyl-1H-pyrazole-4-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4293629446	CCCCCCCCCCCC(=O)NNc1c(C(=O)OCC)c(C)n[nH]1	InChI=1S/C19H34N4O3/c1-4-6-7-8-9-10-11-12-13-14-16(24)21-23-18-17(15(3)20-22-18)19(25)26-5-2/h4-14H2,1-3H3,(H,21,24)(H2,20,22,23)	C19H34N4O3	366.498	7	3	96.11	1	16	2	-3.2804	3.92481000000001	2.78	7.453	72.7085	106.5544	3.0804	373.735594022619
Cond-008421	NPE1043	ethyl ({5-cyano-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-phenyl-4-pyrimidinyl}sulfanyl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.1271581948	CCOC(=O)CSc1nc(c2ccccc2)c(C#N)c(SCC(=O)OCC)n1	InChI=1S/C19H19N3O4S2/c1-3-25-15(23)11-27-18-14(10-20)17(13-8-6-5-7-9-13)21-19(22-18)28-12-16(24)26-4-2/h5-9H,3-4,11-12H2,1-2H3	C19H19N3O4S2	417.502	7	0	152.77	2	11	1	1.3355	4.25067	2.56	4.06	63.474	111.381	2.9997	369.471897724613
Cond-008422	NPE1044	gluco-Heptonic acid, 2,6,7-trideoxy-2-methyl-4-C-methyl-3,5-O-(1-methylethylidene)-, .gamma.-lactone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1692284433	CC[C@H]1OC(C)(C)O[C@@H]2C(C)C(=O)O[C@]12C	InChI=1S/C12H20O4/c1-6-8-12(5)9(7(2)10(13)16-12)15-11(3,4)14-8/h7-9H,6H2,1-5H3/t7?,8-,9-,12-/m1/s1	C12H20O4	228.285	4	0	44.76	2	1	0	-0.164800000000001	2.10199	2.34	1.887	56.6236	61.0200000000001	1.774	223.919804911045
Cond-008423	NPE1045	Heptanoic acid, 4-methoxy-2,4-dimethyl-3,5-diacetoxy-, (2R,3S,4R,5R)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	125.058396055	CCC(OC(=O)C)[C@@](C)(OC)[C@H](OC(=O)C)[C@@H](C)C(=O)O	InChI=1S/C14H24O7/c1-7-11(20-9(3)15)14(5,19-6)12(21-10(4)16)8(2)13(17)18/h8,11-12H,7H2,1-6H3,(H,17,18)/t8-,11?,12-,14-/m1/s1	C14H24O7	304.336	7	1	99.13	0	10	0	-0.3421	1.61949	2.23	1.224	70.963	76.8558	2.3631	304.322454264462
Cond-008424	NPE1046	isobutyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.2486086207	CC(C)COC(=O)CCCCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C28H31NO4/c1-17(2)16-33-22(30)14-4-3-9-15-29-27(31)25-23-18-10-5-6-11-19(18)24(26(25)28(29)32)21-13-8-7-12-20(21)23/h5-8,10-13,17,23-26H,3-4,9,14-16H2,1-2H3	C28H31NO4	445.55	5	0	63.68	3	9	1	-1.3749	4.83869000000001	3.99	7.429	70.3427	125.924	3.4584	431.69127342428
Cond-008425	NPE1047	isopropyl {[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-2-yl]sulfanyl}acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8936248477	CC(C)OC(=O)CSc1nc2c(CN(C)CC2)c(c2cccs2)c1C#N	InChI=1S/C19H21N3O2S2/c1-12(2)24-17(23)11-26-19-13(9-20)18(16-5-4-8-25-16)14-10-22(3)7-6-15(14)21-19/h4-5,8,12H,6-7,10-11H2,1-3H3	C19H21N3O2S2	387.519	5	0	119.76	3	6	0	0.825900000000001	3.89368	2.78	2.872	68.7653	106.942	2.8597	344.807903024291
Cond-008426	NPE1048	isopropyl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-2-yl)sulfanyl]-3-oxobutanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6750120698	CC(C)OC(=O)CC(=O)CSc1c(cc2CCCCCCc2n1)C#N	InChI=1S/C19H24N2O3S/c1-13(2)24-18(23)10-16(22)12-25-19-15(11-20)9-14-7-5-3-4-6-8-17(14)21-19/h9,13H,3-8,10,12H2,1-2H3	C19H24N2O3S	360.47	5	0	105.35	2	7	0	-0.678399999999999	4.08658	2.89	4.201	70.8999	98.963	2.8067	349.985262860685
Cond-008427	NPE1049	isopropyl 4-{[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.1056435853	CC(C)OC(=O)CC(=O)CSc1c(C#N)c(c2cscc2)c(C#N)c(N)n1	InChI=1S/C18H16N4O3S2/c1-10(2)25-15(24)5-12(23)9-27-18-14(7-20)16(11-3-4-26-8-11)13(6-19)17(21)22-18/h3-4,8,10H,5,9H2,1-2H3,(H2,21,22)	C18H16N4O3S2	400.475	7	2	183.4	2	8	0	0.030999999999999	3.65836	2.45	1.972	68.1505	106.4114	2.8569	351.745987905552
Cond-008428	NPE105	1-[(3-hydroxypropyl)amino]anthracene-9,10-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8786881901	OCCCNc1cccc2c1C(=O)c1c(cccc1)C2=O	InChI=1S/C17H15NO3/c19-10-4-9-18-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20/h1-3,5-8,18-19H,4,9-10H2	C17H15NO3	281.306	4	2	66.4	3	4	0	-1.6731	2.22469	2.89	3.09	28.8926	82.963	2.11	259.994591941584
Cond-008429	NPE1050	L-glycero-L-ido-Nonitol, 4,8-anhydro-9-azido-3,5-dideoxy-5,5-dimethyl-6-O-methyl-7,9-O-methylidene-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1084868933	[C@H]1(C[C@H](O)CO)OC2C(OCO[C@@H]2[C@@H](OC)C1(C)C)N=N#N	InChI=1S/C13H23N3O6/c1-13(2)8(4-7(18)5-17)22-10-9(11(13)19-3)20-6-21-12(10)15-16-14/h7-12,17-18H,4-6H2,1-3H3/t7-,8+,9-,10?,11+,12?/m0/s1	C13H23N3O6	317.338	9	2	89.74	2	5	0	-3.9328	-0.221700000000001	1.9	-0.29	67.9832	73.4826	2.2887	289.150064861734
Cond-008430	NPE1051	Methanesulfonic acid 3-methanesulfonyloxymethyl-chroman-2-ylmethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.374772904	CS(=O)(=O)OCC1Cc2ccccc2OC1COS(=O)(=O)C	InChI=1S/C13H18O7S2/c1-21(14,15)18-8-11-7-10-5-3-4-6-12(10)20-13(11)9-19-22(2,16)17/h3-6,11,13H,7-9H2,1-2H3	C13H18O7S2	350.408	7	0	112.73	2	6	0	-0.7472	2.45409	1.9	0.511	53.3758	74.8885	2.332	288.431600352195
Cond-008431	NPE1052	methyl 2-{[7-(difluoromethyl)-5-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-2-yl)]carbonylamino}-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1108149811	CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1nn3c(n1)nc(C)cc3C(F)F)c2C(=O)OC	InChI=1S/C23H27F2N5O3S/c1-6-23(3,4)12-7-8-13-15(10-12)34-20(16(13)21(32)33-5)28-19(31)18-27-22-26-11(2)9-14(17(24)25)30(22)29-18/h9,12,17H,6-8,10H2,1-5H3,(H,28,31)	C23H27F2N5O3S	491.554	8	1	126.72	4	8	1	2.3189	5.14129000000001	2.78	6.05	82.3594	125.0282	3.4449	415.145223586865
Cond-008432	NPE1053	methyl 3-[2-{[(1H-benzoimidazole-2-ylsulfanyl)acetyl]amino}-4-(4-methoxyphenyl)-1,3-thiazole-5-yl]propanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0864657333	COC(=O)CCc1c(nc(NC(=O)CSc2nc3ccccc3[nH]2)s1)c1ccc(OC)cc1	InChI=1S/C23H22N4O4S2/c1-30-15-9-7-14(8-10-15)21-18(11-12-20(29)31-2)33-23(27-21)26-19(28)13-32-22-24-16-5-3-4-6-17(16)25-22/h3-10H,11-13H2,1-2H3,(H,24,25)(H,26,27,28)	C23H22N4O4S2	482.575	8	2	159.74	4	11	1	0.174	4.03285000000001	2.89	3.959	59.1957	128.7317	3.4029	400.503220333846
Cond-008433	NPE1054	methyl 4-({4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-1-piperazinyl}methyl)benzoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0876233226	COC(=O)c1ccc(CN2CCN(CCn3c(=O)c4cccc5cccc(c3=O)c45)CC2)cc1	InChI=1S/C27H27N3O4/c1-34-27(33)21-10-8-19(9-11-21)18-29-14-12-28(13-15-29)16-17-30-25(31)22-6-2-4-20-5-3-7-23(24(20)22)26(30)32/h2-11H,12-18H2,1H3	C27H27N3O4	457.521	7	0	70.16	5	7	0	-0.639499999999999	2.66909	3.66	4.568	63.1528	131.079	3.4311	420.215891813147
Cond-008434	NPE1055	methyl 6-{[4-(2-naphthylmethyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	77.2438219432	COc1c2OCOc2cc(CN2CCN(Cc3cc4c(cccc4)cc3)CC2)c1	InChI=1S/C24H26N2O3/c1-27-22-13-19(14-23-24(22)29-17-28-23)16-26-10-8-25(9-11-26)15-18-6-7-20-4-2-3-5-21(20)12-18/h2-7,12-14H,8-11,15-17H2,1H3	C24H26N2O3	390.475	5	0	34.17	5	5	1	-0.258500000000001	3.71669000000001	3.55	5.36	48.8571	114.168	2.9789	356.450327129219
Cond-008435	NPE1056	methyl 6-{[4-(3-methylbenzyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.132105349	COc1c2OCOc2cc(C[NH+]2CC[NH+](Cc3cccc(C)c3)CC2)c1	InChI=1S/C21H26N2O3/c1-16-4-3-5-17(10-16)13-22-6-8-23(9-7-22)14-18-11-19(24-2)21-20(12-18)25-15-26-21/h3-5,10-12H,6-9,13-15H2,1-2H3/p+2	C21H28N2O3++	356.459	5	2	36.57	4	5	0	-2.5307	-0.242689999999998	3.22	3.489	48.5632	98.5494000000001	2.7938	335.728208054819
Cond-008436	NPE1057	methyl 6-{[4-(4-methylbenzyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0546835171	COc1c2OCOc2cc(CN2CCN(Cc3ccc(C)cc3)CC2)c1	InChI=1S/C21H26N2O3/c1-16-3-5-17(6-4-16)13-22-7-9-23(10-8-22)14-18-11-19(24-2)21-20(12-18)25-15-26-21/h3-6,11-12H,7-10,13-15H2,1-2H3	C21H26N2O3	354.443	5	0	34.17	4	5	0	0.3835	2.59151	3.22	3.807	54.3592	100.302	2.7508	333.091749354019
Cond-008437	NPE1058	methyl 9-methyl-2-phenyl-9H-imidazo[1,2-a]benzimidazole-3-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	62.4996883492	COC(=O)c1c(nc2n(C)c3c(cccc3)n12)c1ccccc1	InChI=1S/C18H15N3O2/c1-20-13-10-6-7-11-14(13)21-16(17(22)23-2)15(19-18(20)21)12-8-4-3-5-9-12/h3-11H,1-2H3	C18H15N3O2	305.331	5	0	48.53	4	3	1	0.1399	4.51196	2.89	5.02	23.4811	95.473	2.2402	253.700952881623
Cond-008438	NPE1059	Methyl diphenyl amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	128.211783026	CN(c1ccccc1)c1ccccc1	InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3	C13H13N	183.249	1	0	3.24	2	2	1	0.1155	3.98159	2.78	5.149	8.5947	61.371	1.5649	182.069349438834
Cond-008439	NPE106	1-((3-Imidazol-1-yl-propyl)amino)anthraquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.0383291255	O=C1c2c(cccc2)C(=O)c2c1cccc2NCCCn1ccnc1	InChI=1S/C20H17N3O2/c24-19-14-5-1-2-6-15(14)20(25)18-16(19)7-3-8-17(18)22-9-4-11-23-12-10-21-13-23/h1-3,5-8,10,12-13,22H,4,9,11H2	C20H17N3O2	331.368	5	1	63.99	4	5	0	-1.1996	3.12909	3.11	3.29	29.226	98.1042	2.479	296.556463432557
Cond-008440	NPE1060	Methyleneamino-1,3,5,7,9,11-cyclododecahexaene, (1E,3E,5E,7Z,9E,11E)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4176283828	C=N/C/1=C/C=C/C=C/C=C\C=C\C=C1	InChI=1S/C13H13N/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h2-12H,1H2/b3-2-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9+,12-10+,13-11+,13-12+	C13H13N	183.249	1	0	12.36	1	1	0	1.6341	2.82033	2.78	3.091	68.8034	62.527	1.6305	213.589349438834
Cond-008441	NPE1061	N-(1,2,3,5,6,7-hexahydros-indacenyl)-2-piperidylacetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8064712208	O=C(CN1CCCCC1)NC1CCc2c1cc1CCCc1c2	InChI=1S/C19H26N2O/c22-19(13-21-9-2-1-3-10-21)20-18-8-7-16-11-14-5-4-6-15(14)12-17(16)18/h11-12,18H,1-10,13H2,(H,20,22)	C19H26N2O	298.423	3	1	32.34	4	4	0	-2.1034	2.65749	3.22	4.114	56.878	90.4277000000001	2.4376	297.092244102763
Cond-008442	NPE1062	N-{1-[2-(4-morpholinyl)ethyl]-1H-benzoimidazole-2-yl}-1,3-diphenyl-1H-pyrazole-4-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.2788830551	O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cn(nc1c1ccccc1)c1ccccc1	InChI=1S/C29H28N6O2/c36-28(24-21-35(23-11-5-2-6-12-23)32-27(24)22-9-3-1-4-10-22)31-29-30-25-13-7-8-14-26(25)34(29)16-15-33-17-19-37-20-18-33/h1-14,21H,15-20H2,(H,30,31,36)/p+1	C29H29N6O2+	493.58	8	2	77.89	6	8	1	-2.1368	4.91305000000001	3.77	6.006	43.1298	150.7824	3.7218	432.106541536258
Cond-008443	NPE1063	N-(1,3-benzodioxol-5-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.2485975716	FC(F)(F)c1cc(nc2c(cnn12)C(=O)Nc1cc2c(OCO2)cc1)c1cc2c(OCCO2)cc1	InChI=1S/C23H15F3N4O5/c24-23(25,26)20-9-15(12-1-3-16-18(7-12)33-6-5-32-16)29-21-14(10-27-30(20)21)22(31)28-13-2-4-17-19(8-13)35-11-34-17/h1-4,7-10H,5-6,11H2,(H,28,31)	C23H15F3N4O5	484.384	9	1	96.21	6	5	0	-0.1112	6.30975	2.67	3.849	36.9088	124.7737	2.9705	365.765158068526
Cond-008444	NPE1064	N'-(1,3-benzodioxol-5-ylmethylene)-2-{[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy}acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.176058119	COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc3OCOc3c2)c1C#N	InChI=1S/C19H18N4O5/c1-12-5-14(9-25-2)15(7-20)19(22-12)26-10-18(24)23-21-8-13-3-4-16-17(6-13)28-11-27-16/h3-6,8H,9-11H2,1-2H3,(H,23,24)/b21-8+	C19H18N4O5	382.37	9	1	115.06	3	8	0	-0.893599999999999	2.0253	2.56	2.307	52.6048	102.3127	2.7226	339.884377817341
Cond-008445	NPE1065	N-(1,3-benzothiazol-2-yl)-2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.6065715018	CC(C)n1c2ccccc2c2c1nc(SCC(=O)Nc1nc3ccccc3s1)nn2	InChI=1S/C21H18N6OS2/c1-12(2)27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-11-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h3-10,12H,11H2,1-2H3,(H,22,23,28)	C21H18N6OS2	434.537	7	1	139.13	5	6	0	0.41	6.38354	2.78	4.951	45.6838	124.4487	3.036	338.277632695963
Cond-008446	NPE1066	N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2623091577	Cn1cc(CNC(=O)c2nn3c(c2)nc2c4ccccc4CCc2c3C(F)(F)F)c(C)n1	InChI=1S/C22H19F3N6O/c1-12-14(11-30(2)28-12)10-26-21(32)17-9-18-27-19-15-6-4-3-5-13(15)7-8-16(19)20(22(23,24)25)31(18)29-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,26,32)	C22H19F3N6O	440.421	7	1	77.11	5	5	0	1.1679	4.21688	2.78	4.865	45.5443	115.6527	2.946	350.294704458349
Cond-008447	NPE1067	N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9038725753	CN(Cc1cn(C)nc1C)C(=O)c1nn2c(c1)nc1c3ccccc3CCc1c2C(F)(F)F	InChI=1S/C23H21F3N6O/c1-13-15(12-31(3)28-13)11-30(2)22(33)18-10-19-27-20-16-7-5-4-6-14(16)8-9-17(20)21(23(24,25)26)32(19)29-18/h4-7,10,12H,8-9,11H2,1-3H3	C23H21F3N6O	454.448	7	0	68.32	5	5	1	1.2702	4.55908	2.89	5.007	51.241	120.28	3.0869	367.590689084216
Cond-008448	NPE1068	N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0336574936	CN1C(=O)N(C)C(=O)C(=CNC(Cc2c[nH]c3c2cccc3)C(=O)O)C1=O	InChI=1S/C18H18N4O5/c1-21-15(23)12(16(24)22(2)18(21)27)9-20-14(17(25)26)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8-9,14,19-20H,7H2,1-2H3,(H,25,26)	C18H18N4O5	370.359	9	3	122.81	3	5	0	-2.0942	0.77087	2.45	1.624	61.5667	100.0275	2.6247	325.224851892274
Cond-008449	NPE1069	N-[(1,3-dimethylpyrazol-4-yl)methyl][3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7349566846	COc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)NCc1cn(C)nc1C	InChI=1S/C21H18ClF3N6O2/c1-11-13(10-30(2)28-11)9-26-20(32)18-17(22)19-27-15(12-4-6-14(33-3)7-5-12)8-16(21(23,24)25)31(19)29-18/h4-8,10H,9H2,1-3H3,(H,26,32)	C21H18ClF3N6O2	478.855	8	1	86.34	4	7	0	1.7356	4.78028	2.45	3.789	48.7449	119.8067	3.0948	369.356473004277
Cond-008450	NPE107	1-((3-Morpholin-4-yl-propyl)amino)anthraquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.8089409125	O=C1c2c(cccc2)C(=O)c2c1cccc2NCCCN1CCOCC1	InChI=1S/C21H22N2O3/c24-20-15-5-1-2-6-16(15)21(25)19-17(20)7-3-8-18(19)22-9-4-10-23-11-13-26-14-12-23/h1-3,5-8,22H,4,9-14H2	C21H22N2O3	350.411	5	1	58.64	4	5	0	-1.3073	2.56459	3.22	2.823	49.6939	103.1362	2.6648	327.818831952419
Cond-008451	NPE1070	N~1~-(4-chlorobenzyl)-N~2~-{2-[4-(3,4-dichlorobenzyl)-1-piperazinyl]ethyl}ethanediamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9225697854	Clc1ccc(CNC(=O)C(=O)NCC[NH+]2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1	InChI=1S/C22H25Cl3N4O2/c23-18-4-1-16(2-5-18)14-27-22(31)21(30)26-7-8-28-9-11-29(12-10-28)15-17-3-6-19(24)20(25)13-17/h1-6,13H,7-12,14-15H2,(H,26,30)(H,27,31)/p+2	C22H27Cl3N4O2++	485.834	6	4	67.08	3	10	0	-1.8317	-0.0823099999999999	2.89	2.908	69.4274	124.4658	3.4654	418.944231006958
Cond-008452	NPE1071	N-[1-(4-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-phenethyl-succinamic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6138015454	OC(=O)CCC(=O)N(CCc1ccccc1)C1CC(=O)N(C1=O)c1ccc(Cl)cc1	InChI=1S/C22H21ClN2O5/c23-16-6-8-17(9-7-16)25-20(27)14-18(22(25)30)24(19(26)10-11-21(28)29)13-12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,28,29)	C22H21ClN2O5	428.866	7	1	94.99	3	9	0	-0.674100000000001	3.66898	3	4.245	58.7938	114.7458	3.0681	384.989879049041
Cond-008453	NPE1072	N-[1,4-Dioxa-7lambda(4)-thia-spiro[4.4]non-(7E)-ylidene]-3,5-bis-trifluoromethyl-benzamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8182679777	FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)/N=S/1\CCC2(C1)OCCO2	InChI=1S/C15H13F6NO3S/c16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)12(23)22-26-4-1-13(8-26)24-2-3-25-13/h5-7H,1-4,8H2	C15H13F6NO3S	401.324	4	0	67.1	3	4	0	1.0316	3.74989	1.9	4.912	47.6099	81.247	2.2699	301.762834652489
Cond-008454	NPE1073	N-[1,4-Dioxa-7lambda(4)-thia-spiro[4.4]non-(7Z)-ylidene]-3,5-bis-trifluoromethyl-benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.6047861628	FC(F)(F)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)/N=S/1\CCC2(C1)OCCO2	InChI=1S/C14H13F6NO4S2/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)27(22,23)21-26-4-1-12(8-26)24-2-3-25-12/h5-7H,1-4,8H2	C14H13F6NO4S2	437.378	5	0	92.55	3	4	0	0.7299	3.84389	1.57	4.294	51.31	76.7770000000001	2.3942	314.402559485584
Cond-008455	NPE1074	N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0010970106	Cc1ccc(Cn2ccc(NC(=O)c3nn4c(c3)nc(cc4C(F)(F)F)c3ccccc3)n2)cc1	InChI=1S/C25H19F3N6O/c1-16-7-9-17(10-8-16)15-33-12-11-22(32-33)30-24(35)20-14-23-29-19(18-5-3-2-4-6-18)13-21(25(26,27)28)34(23)31-20/h2-14H,15H2,1H3,(H,30,32,35)	C25H19F3N6O	476.453	7	1	77.11	5	7	1	1.1433	6.29868000000001	3.11	8.061	29.8864	128.5277	3.23970000000001	383.373282233549
Cond-008456	NPE1075	N~1~-[(5-{2-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]carbohydrazonoyl}-2-furyl)methyl]-N~2~-(4-methylphenyl)ethanediamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2960209473	Cc1c(n2ccc(C)cc2n1)C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	InChI=1S/C25H24N6O4/c1-15-4-6-18(7-5-15)29-25(34)24(33)26-13-19-8-9-20(35-19)14-27-30-23(32)22-17(3)28-21-12-16(2)10-11-31(21)22/h4-12,14H,13H2,1-3H3,(H,26,33)(H,29,34)(H,30,32)/b27-14+	C25H24N6O4	472.496	10	3	130.1	4	10	1	-0.344399999999999	2.91063	3.11	5.328	55.8415	132.9986	3.47130000000001	414.797744485114
Cond-008457	NPE1076	N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7703114025	Cn1ncc(CNC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccco2)c1C	InChI=1S/C18H15F3N6O2/c1-10-11(9-23-26(10)2)8-22-17(28)13-7-16-24-12(14-4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-7,9H,8H2,1-2H3,(H,22,28)	C18H15F3N6O2	404.346	8	1	90.25	4	6	0	0.889	3.25138	2.23	2.744	37.4326	99.2037	2.5927	304.893910057043
Cond-008458	NPE1077	N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5720840377	Cn1ncc(CNC(=O)c2nn3c(c2)nc2c4ccccc4CCc2c3C(F)(F)F)c1C	InChI=1S/C22H19F3N6O/c1-12-14(11-27-30(12)2)10-26-21(32)17-9-18-28-19-15-6-4-3-5-13(15)7-8-16(19)20(22(23,24)25)31(18)29-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,26,32)	C22H19F3N6O	440.421	7	1	77.11	5	5	0	1.1679	3.75698	2.78	4.865	45.5443	114.3457	2.946	350.294704458349
Cond-008459	NPE1078	N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.9656186891	CN(Cc1c(C)n(C)nc1)C(=O)c1nn2c(c1)nc1c(CCc3c1cccc3)c2C(F)(F)F	InChI=1S/C23H21F3N6O/c1-13-15(11-27-31(13)3)12-30(2)22(33)18-10-19-28-20-16-7-5-4-6-14(16)8-9-17(20)21(23(24,25)26)32(19)29-18/h4-7,10-11H,8-9,12H2,1-3H3	C23H21F3N6O	454.448	7	0	68.32	5	5	1	1.2702	4.09918	2.89	5.007	51.241	118.973	3.0869	367.590689084216
Cond-008460	NPE1079	N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl[7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	36.741946042	CN(Cc1c(C)n(C)nc1)C(=O)c1nn2c(c1)nc1c(CCc3c1cccc3)c2C(F)(F)F	InChI=1S/C23H21F3N6O/c1-13-15(11-27-31(13)3)12-30(2)22(33)18-10-19-28-20-16-7-5-4-6-14(16)8-9-17(20)21(23(24,25)26)32(19)29-18/h4-7,10-11H,8-9,12H2,1-3H3	C23H21F3N6O	454.448	7	0	68.32	5	5	1	1.2702	4.09918	2.89	5.007	51.241	118.973	3.0869	367.590689084216
Cond-008461	NPE108	1-{3-nitrophenyl}-6,7-dimethoxy-2-[(1-naphtyloxy)acetyl]-1,2,3,4-tetrahydroisoquinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6145789498	COc1c(OC)cc2C(N(CCc2c1)C(=O)COc1cccc2ccccc12)c1cc(ccc1)N(=O)=O	InChI=1S/C29H26N2O6/c1-35-26-16-20-13-14-30(28(32)18-37-25-12-6-8-19-7-3-4-11-23(19)25)29(24(20)17-27(26)36-2)21-9-5-10-22(15-21)31(33)34/h3-12,15-17,29H,13-14,18H2,1-2H3	C29H26N2O6	498.527	8	0	91.14	5	8	1	-0.217400000000001	5.55418000000001	3.77	6.965	44.7061	144.818	3.64450000000001	445.218636856236
Cond-008462	NPE1080	N~1~-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~2~,N~2~-diethyl-1,2-ethanediamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.6134700227	CCN(CC)CCNc1ncnc2c1sc1c2cc2COC(C)(C)Cc2n1	InChI=1S/C20H27N5OS/c1-5-25(6-2)8-7-21-18-17-16(22-12-23-18)14-9-13-11-26-20(3,4)10-15(13)24-19(14)27-17/h9,12H,5-8,10-11H2,1-4H3,(H,21,22,23)	C20H27N5OS	385.526	6	1	91.41	4	6	0	1.426	4.17816000000001	2.89	2.387	68.3616	110.4847	2.9554	338.81461600913
Cond-008463	NPE1081	N~1~-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N~3~,N~3~-dimethyl-1,3-propanediamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9086239996	CN(C)CCCNc1ncnc2c1sc1c2cc2COC(C)(C)Cc2n1	InChI=1S/C19H25N5OS/c1-19(2)9-14-12(10-25-19)8-13-15-16(26-18(13)23-14)17(22-11-21-15)20-6-5-7-24(3)4/h8,11H,5-7,9-10H2,1-4H3,(H,20,21,22)	C19H25N5OS	371.5	6	1	91.41	4	5	0	0.637199999999999	3.78806	2.78	1.899	62.6856	105.8677	2.8145	321.518631383263
Cond-008464	NPE1082	N-(1-adamantyl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7848882449	Cc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2	InChI=1S/C25H26F2N4O/c1-14-2-4-18(5-3-14)20-9-21(22(26)27)31-23(29-20)19(13-28-31)24(32)30-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,9,13,15-17,22H,6-8,10-12H2,1H3,(H,30,32)	C25H26F2N4O	436.497	5	1	59.29	3	5	1	-0.204599999999998	5.60130000000001	3.44	6.894	61.2903	120.8647	3.1288	377.93803777011
Cond-008465	NPE1083	N-(1-adamantylmethyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.1046982747	Clc1cc2c(sc(SCC(=O)NCC34CC5CC(CC(C5)C3)C4)n2)cc1	InChI=1S/C20H23ClN2OS2/c21-15-1-2-17-16(6-15)23-19(26-17)25-10-18(24)22-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,22,24)	C20H23ClN2OS2	406.992	3	1	95.53	2	6	1	0.963200000000001	5.44657	3	5.579	77.8072	108.9047	2.8763	340.724427212663
Cond-008466	NPE1084	N-(1-benzyl-1H-benzoimidazole-2-yl)-N-[4-(decyloxy)benzylidene]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5533714969	CCCCCCCCCCOc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)cc1	InChI=1S/C31H37N3O/c1-2-3-4-5-6-7-8-14-23-35-28-21-19-26(20-22-28)24-32-31-33-29-17-12-13-18-30(29)34(31)25-27-15-10-9-11-16-27/h9-13,15-22,24H,2-8,14,23,25H2,1H3/b32-24+	C31H37N3O	467.645	4	0	39.41	4	14	2	-2.4046	8.92988	4.43	12.012	50.684	149.22	3.9272	464.485608915731
Cond-008467	NPE1085	N'-(1-benzyl-2-oxo-1,2-dihydro-3H-indole-3-ylidene)-3-(3,5-dimethyl-1H-pyrazole-1-yl)propanohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9351449525	Cc1cc(C)nn1CCC(=O)N/N=C/1\C(=O)N(Cc2ccccc2)c2ccccc12	InChI=1S/C23H23N5O2/c1-16-14-17(2)28(26-16)13-12-21(29)24-25-22-19-10-6-7-11-20(19)27(23(22)30)15-18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,29)/b25-22-	C23H23N5O2	401.461	7	1	79.59	4	7	1	-0.425	3.63551	3.22	6.073	49.8227	119.2177	3.0583	367.801479025691
Cond-008468	NPE1086	N-[(1-benzyl-5-oxo-3-pyrrolidinyl)methyl]-4-methyl-1-piperazinecarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4423715341	CN1CCN(CC1)C(=O)NCC1CN(Cc2ccccc2)C(=O)C1	InChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)	C18H26N4O2	330.425	6	1	55.89	3	6	0	-1.3371	0.25059	2.78	1.537	66.3162	94.5327	2.6206	320.300006593791
Cond-008469	NPE1087	N-[(1E)-2-(5-methyl(2-furyl))-1-azavinyl]-2-{1-[(2-chlorophenyl)methyl]benzimidazol-2-ylthio}acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	49.9964410278	Cc1ccc(o1)/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl	InChI=1S/C22H19ClN4O2S/c1-15-10-11-17(29-15)12-24-26-21(28)14-30-22-25-19-8-4-5-9-20(19)27(22)13-16-6-2-3-7-18(16)23/h2-12H,13-14H2,1H3,(H,26,28)/b24-12+	C22H19ClN4O2S	438.93	6	1	97.72	4	8	1	0.7743	4.82438	3	6.611	47.9254	122.5617	3.1035	362.328826019691
Cond-008470	NPE1088	N'-(1H-indol-3-ylmethylene)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8787304595	O=C(Cn1cnc2c(c3c(CCCC3)s2)c1=O)N/N=C\c1c[nH]c2ccccc12	InChI=1S/C21H19N5O2S/c27-18(25-24-10-13-9-22-16-7-3-1-5-14(13)16)11-26-12-23-20-19(21(26)28)15-6-2-4-8-17(15)29-20/h1,3,5,7,9-10,12,22H,2,4,6,8,11H2,(H,25,27)/b24-10-	C21H19N5O2S	405.473	7	2	118.16	5	5	0	-1.6276	3.32666	2.89	3.768	60.7809	120.5312	2.8744	341.998533831558
Cond-008471	NPE1089	N'-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6882932196	CC1CCc2c(C1)sc1c2c(=O)n(CC(=O)N/N=C/2\C(=O)N(C)c3ccccc23)cn1	InChI=1S/C22H21N5O3S/c1-12-7-8-14-16(9-12)31-20-18(14)21(29)27(11-23-20)10-17(28)24-25-19-13-5-3-4-6-15(13)26(2)22(19)30/h3-6,11-12H,7-10H2,1-2H3,(H,24,28)/b25-19-	C22H21N5O3S	435.499	8	1	122.68	5	4	0	-1.0393	3.04176	2.89	3.97	77.2487	124.5252	3.074	378.984745157986
Cond-008472	NPE109	1-(3-Trifluoromethyl-phenoxy)-3-[2-(4-trifluoromethyl-pyrimidin-2-ylamino)-ethylamino]-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0408719346	OC(CNCCNc1nc(ccn1)C(F)(F)F)COc1cccc(c1)C(F)(F)F	InChI=1S/C17H18F6N4O2/c18-16(19,20)11-2-1-3-13(8-11)29-10-12(28)9-24-6-7-26-15-25-5-4-14(27-15)17(21,22)23/h1-5,8,12,24,28H,6-7,9-10H2,(H,25,26,27)	C17H18F6N4O2	424.341	6	3	79.3	2	11	1	0.737	3.23409	2.01	4.021	45.8996	93.1512000000001	2.6515	338.229375069762
Cond-008473	NPE1090	N-[(1-methyl-2-oxobenzo[d]azolin-3-ylidene)azamethyl]-N'-[(1-methyl-2-oxobenzo[d]azolin-3-ylidene)azamethyl]hexane-1,6-diamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3431507174	CN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C/2\C(=O)N(C)c3ccccc23)/c2ccccc12	InChI=1S/C24H24N6O4/c1-29-17-11-5-3-9-15(17)21(23(29)33)27-25-19(31)13-7-8-14-20(32)26-28-22-16-10-4-6-12-18(16)30(2)24(22)34/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,25,31)(H,26,32)/b27-21-,28-22-	C24H24N6O4	460.485	10	2	123.54	4	9	0	-3.0522	2.62405	3	4.874	69.2872	133.2524	3.3734	421.938218560047
Cond-008474	NPE1091	N~1~,N~3~-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)malonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2757984492	O=C(CC(=O)Nc1c(C#N)c2c(CCCCC2)s1)Nc1c(C#N)c2c(CCCCC2)s1	InChI=1S/C23H24N4O2S2/c24-12-16-14-7-3-1-5-9-18(14)30-22(16)26-20(28)11-21(29)27-23-17(13-25)15-8-4-2-6-10-19(15)31-23/h1-11H2,(H,26,28)(H,27,29)	C23H24N4O2S2	452.592	6	2	162.26	4	6	0	-1.0762	5.18195000000001	3.11	4.905	83.5204	120.7754	3.3285	407.359225633524
Cond-008475	NPE1092	N-[(1Z)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[4-benzylpiperazinyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.623081759	Cn1cccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1	InChI=1S/C19H25N5O/c1-22-9-5-8-18(22)14-20-21-19(25)16-24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,21,25)/b20-14+	C19H25N5O	339.435	6	1	52.87	3	7	0	-0.670899999999999	1.49027	2.89	3.735	57.5062	103.6517	2.7166	323.629607325663
Cond-008476	NPE1093	N-[2-(1-adamantyl)ethyl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.4337214196	O=C(CSc1nc2ccccc2s1)NCCC12CC3CC(CC(C3)C1)C2	InChI=1S/C21H26N2OS2/c24-19(13-25-20-23-17-3-1-2-4-18(17)26-20)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H,22,24)	C21H26N2OS2	386.574	3	1	95.53	2	7	1	0.4745	5.18327000000001	3.22	6.474	76.6434	108.5117	2.8948	342.809344068097
Cond-008477	NPE1094	N-[2-(1-adamantyl)ethyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3563283158	Clc1cc2c(sc(SCC(=O)NCCC34CC5CC(CC(C5)C3)C4)n2)cc1	InChI=1S/C21H25ClN2OS2/c22-16-1-2-18-17(8-16)24-20(27-18)26-12-19(25)23-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,23,25)	C21H25ClN2OS2	421.019	3	1	95.53	2	7	1	1.2188	5.83667000000001	3.11	6.57	82.259	113.5217	3.0172	358.02041183853
Cond-008478	NPE1095	N-[2-(1H-Benzoimidazol-2-ylmethylsulfanyl)-benzothiazol-6-yl]-2-naphthalen-1-yl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.729660474	O=C(Cc1cccc2ccccc12)Nc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1	InChI=1S/C27H20N4OS2/c32-26(14-18-8-5-7-17-6-1-2-9-20(17)18)28-19-12-13-23-24(15-19)34-27(31-23)33-16-25-29-21-10-3-4-11-22(21)30-25/h1-13,15H,14,16H2,(H,28,32)(H,29,30)	C27H20N4OS2	480.604	5	2	124.21	6	7	1	0.1724	7.53975000000001	3.66	8.701	35.5899	144.6597	3.44420000000001	388.89418523163
Cond-008479	NPE1096	N-{2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-4-(4-methoxyphenyl)butaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6064556176	COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc3OCOc3c2)cc1	InChI=1S/C21H23N3O5/c1-27-17-8-5-15(6-9-17)3-2-4-20(25)22-13-21(26)24-23-12-16-7-10-18-19(11-16)29-14-28-18/h5-12H,2-4,13-14H2,1H3,(H,22,25)(H,24,26)/b23-12+	C21H23N3O5	397.424	8	2	98.25	3	11	1	-2.0509	2.64547	2.89	4.016	54.1101	113.3624	2.9476	366.116045561708
Cond-008480	NPE1097	N-{2-[2-(4-bromophenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]ethyl}-N-(tert-butyl)amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3428906231	CC(C)(C)NCCn1c(cn2c3ccccc3nc12)c1ccc(Br)cc1	InChI=1S/C21H23BrN4/c1-21(2,3)23-12-13-25-19(15-8-10-16(22)11-9-15)14-26-18-7-5-4-6-17(18)24-20(25)26/h4-11,14,23H,12-13H2,1-3H3	C21H23BrN4	411.338	4	1	34.26	4	5	1	1.5516	6.37057000000001	3.22	5.789	46.62	115.5867	2.8633	320.925291244635
Cond-008481	NPE1098	N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazole-6-yl)-2-[(1-methyl-1H-tetraazole-5-yl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0533279966	Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1	InChI=1S/C20H19N7O2S3/c1-27-19(24-25-26-27)30-12-18(29)22-14-7-8-15-16(9-14)32-20(23-15)31-11-17(28)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,21,28)(H,22,29)	C20H19N7O2S3	485.606	9	2	193.53	4	11	1	0.2257	3.15464	2.34	3.667	60.6944	123.8004	3.3257	382.534117737224
Cond-008482	NPE1099	N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazole-6-yl)-2-[(1-methyl-1H-tetraazole-5-yl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5441754604	CCCCNC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3C)cc2s1	InChI=1S/C17H21N7O2S3/c1-3-4-7-18-14(25)9-28-17-20-12-6-5-11(8-13(12)29-17)19-15(26)10-27-16-21-22-23-24(16)2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,25)(H,19,26)	C17H21N7O2S3	451.589	9	2	193.53	3	12	1	-0.299	3.09404	2.01	2.109	72.4163	114.1854	3.1406	361.811998662824
Cond-008483	NPE11	1-[1,1'-biphenyl]-4-yl-2-[(5-phenyl-4H-1,2,4-triazole-3-yl)sulfanyl]ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.9978619215	O=C(CSc1nnc([nH]1)c1ccccc1)c1ccc(cc1)c1ccccc1	InChI=1S/C22H17N3OS/c26-20(18-13-11-17(12-14-18)16-7-3-1-4-8-16)15-27-22-23-21(24-25-22)19-9-5-2-6-10-19/h1-14H,15H2,(H,23,24,25)	C22H17N3OS	371.455	4	1	83.94	4	6	1	-0.2954	4.53527	3.33	9.052	21.0015	110.666	2.7796	324.69431263973
Cond-008484	NPE110	1-[(3Z,1E)-4-(3-nitrophenyl)-4-(3,5,7-triazatricyclo[3.3.1.1<3,7>]decyl)-2,3-diazabuta-1,3-dienyl]-2-ethoxybenzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.6377523694	CCOc1c(/C=N/N=C(/c2cc(ccc2)N(=O)=O)\C23CN4CN(CN(C4)C2)C3)cccc1	InChI=1S/C23H26N6O3/c1-2-32-21-9-4-3-6-19(21)11-24-25-22(18-7-5-8-20(10-18)29(30)31)23-12-26-15-27(13-23)17-28(14-23)16-26/h3-11H,2,12-17H2,1H3/b24-11+,25-22-	C23H26N6O3	434.491	9	0	86.81	2	7	0	0.44	2.94098	3	4.94	67.8065	125.788	3.1942	391.404924635219
Cond-008485	NPE1100	N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]tryptophan	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7170839368	CC1(C)OC(=O)C(=CNC(Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)O1	InChI=1S/C18H18N2O6/c1-18(2)25-16(23)12(17(24)26-18)9-20-14(15(21)22)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8-9,14,19-20H,7H2,1-2H3,(H,21,22)/p-1	C18H17N2O6-	357.337	8	2	120.55	3	5	0	-2.1615	-0.814529999999999	2.56	3.055	54.7513	92.7257	2.5053	313.339787526901
Cond-008486	NPE1101	N-[2-(2-hydroxyethoxy)ethyl]-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-yl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3324229511	Cn1c(=O)c2c(sc3c2CCCC3)nc1SCC(=O)NCCOCCO	InChI=1S/C17H23N3O4S2/c1-20-16(23)14-11-4-2-3-5-12(11)26-15(14)19-17(20)25-10-13(22)18-6-8-24-9-7-21/h21H,2-10H2,1H3,(H,18,22)	C17H23N3O4S2	397.512	7	2	144.77	3	9	0	-0.4608	0.88197	2.34	0.406	85.1013	103.9105	2.8243	346.60576327608
Cond-008487	NPE1102	N-[2-(3,4-dimethoxyphenyl)ethyl]-10H-phenothiazine-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.1766993456	COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc23)cc1OC	InChI=1S/C23H22N2O3S/c1-27-19-12-11-16(15-20(19)28-2)13-14-24-23(26)25-17-7-3-5-9-21(17)29-22-10-6-4-8-18(22)25/h3-12,15H,13-14H2,1-2H3,(H,24,26)	C23H22N2O3S	406.497	5	1	76.1	4	7	1	0.1265	4.81697	3.33	5.324	41.5317	114.7247	3.0241	364.746907860152
Cond-008488	NPE1103	N-[2-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3881053846	COc1ccc(CCNC(=O)C2c3ccccc3Oc3ccccc23)cc1OC	InChI=1S/C24H23NO4/c1-27-21-12-11-16(15-22(21)28-2)13-14-25-24(26)23-17-7-3-5-9-19(17)29-20-10-6-4-8-18(20)23/h3-12,15,23H,13-14H2,1-2H3,(H,25,26)	C24H23NO4	389.444	5	1	56.79	4	7	1	-0.77	5.07299	3.55	5.219	36.4778	115.7037	2.9604	361.327334920813
Cond-008489	NPE1104	N-{2-[4-(2-naphtylsulfonyl)-1-piperazinyl]ethyl}-N'-phenylethanediamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.297844485	O=C(NCC[NH+]1CCN(CC1)S(=O)(=O)c1cc2ccccc2cc1)C(=O)Nc1ccccc1	InChI=1S/C24H26N4O4S/c29-23(24(30)26-21-8-2-1-3-9-21)25-12-13-27-14-16-28(17-15-27)33(31,32)22-11-10-19-6-4-5-7-20(19)18-22/h1-11,18H,12-17H2,(H,25,29)(H,26,30)/p+1	C24H27N4O4S+	467.561	8	3	108.4	4	9	0	-3.5804	1.83177	3.11	4.305	54.2978	125.5341	3.4448	414.144868953314
Cond-008490	NPE1105	N-(2-{[4,6-bis(ethylamino)-1,3,5-triazine-2-yl]oxy}ethyl)-2,5-dimethylbenzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0276175453	CCNc1nc(OCCNS(=O)(=O)c2cc(C)ccc2C)nc(NCC)n1	InChI=1S/C17H26N6O3S/c1-5-18-15-21-16(19-6-2)23-17(22-15)26-10-9-20-27(24,25)14-11-12(3)7-8-13(14)4/h7-8,11,20H,5-6,9-10H2,1-4H3,(H2,18,19,21,22,23)	C17H26N6O3S	394.492	9	3	126.51	2	10	0	0.0812000000000009	3.02831000000001	2.23	2.316	59.7703	102.6651	2.9671	351.116793142419
Cond-008491	NPE1106	N-(2,4-dichlorobenzyl)-N-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3240458909	Clc1ccc(CNC23C[NH+]4C[NH+](C[NH+](C4)C2)C3)c(Cl)c1	InChI=1S/C14H18Cl2N4/c15-12-2-1-11(13(16)3-12)4-17-14-5-18-8-19(6-14)10-20(7-14)9-18/h1-3,17H,4-10H2/p+3	C14H21Cl2N4+++	316.249	4	4	25.35	1	3	0	-3.4855	-2.9497	2.34	1.185	48.3847	77.3668	2.2263	260.828896982067
Cond-008492	NPE1107	N-(2,4-difluorophenyl)-5-[3-(methyloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2049375789	COc1cc(ccc1)c1nc2c(cnn2c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1F	InChI=1S/C21H13F5N4O2/c1-32-13-4-2-3-11(7-13)17-9-18(21(24,25)26)30-19(28-17)14(10-27-30)20(31)29-16-6-5-12(22)8-15(16)23/h2-10H,1H3,(H,29,31)	C21H13F5N4O2	448.346	6	1	68.52	4	6	1	1.3841	6.09507	2.56	5.382	25.8349	110.0067	2.7652	341.650543817322
Cond-008493	NPE1108	N'-(2,5-dimethoxybenzylidene)-2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazole-2-yl}sulfanyl)acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7646409407	COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1	InChI=1S/C24H28N4O5S/c1-16-12-17(8-10-20(16)31-3)6-5-7-23-27-28-24(33-23)34-15-22(29)26-25-14-18-13-19(30-2)9-11-21(18)32-4/h8-14H,5-7,15H2,1-4H3,(H,26,29)/b25-14+	C24H28N4O5S	484.568	9	1	133.37	3	13	2	-0.461299999999998	4.06648	3	5.736	67.1052	132.0417	3.5906	433.973325004275
Cond-008494	NPE1109	N-(2,5-dimethylphenyl)-2-[4-cyclohexyl-5-benzyl(1,2,4-triazol-3-ylthio)]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9278112847	Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1	InChI=1S/C25H30N4OS/c1-18-13-14-19(2)22(15-18)26-24(30)17-31-25-28-27-23(16-20-9-5-3-6-10-20)29(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-15,21H,4,7-8,11-12,16-17H2,1-2H3,(H,26,30)	C25H30N4OS	434.597	5	1	85.11	4	8	1	-0.3768	6.16021000000001	3.55	8.426	56.5205	125.1987	3.4311	406.388402827897
Cond-008495	NPE111	1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3,5-dimethylphenoxy)-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	74.8585589377	Cc1cc(OCC(O)C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc(C)c1	InChI=1S/C23H30N2O4/c1-17-9-18(2)11-21(10-17)27-15-20(26)14-25-7-5-24(6-8-25)13-19-3-4-22-23(12-19)29-16-28-22/h3-4,9-12,20,26H,5-8,13-16H2,1-2H3/p+2	C23H32N2O4++	400.511	6	3	56.8	4	7	0	-2.4901	-0.143279999999997	3.33	3.029	59.0433	111.1192	3.1343	379.110404007114
Cond-008496	NPE1110	N-(2-Acetyl-5-phenyl-thiophen-3-yl)-2-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.433453579	CC(=O)c1c(NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc(s1)c1ccccc1	InChI=1S/C25H27N3O4S2/c1-18-8-10-21(11-9-18)34(31,32)28-14-12-27(13-15-28)17-24(30)26-22-16-23(33-25(22)19(2)29)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,26,30)/p+1	C25H28N3O4S2+	498.638	7	2	124.61	4	8	0	-2.1919	3.56989	3.22	4.882	66.0599	132.8599	3.6494	438.953117428614
Cond-008497	NPE1111	N-(2-Dimethylamino-ethyl)-2-(2-phenyl-quinolin-4-yloxy)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9033289895	CN(C)CCNC(=O)COc1cc(nc2c1cccc2)c1ccccc1	InChI=1S/C21H23N3O2/c1-24(2)13-12-22-21(25)15-26-20-14-19(16-8-4-3-5-9-16)23-18-11-7-6-10-17(18)20/h3-11,14H,12-13,15H2,1-2H3,(H,22,25)	C21H23N3O2	349.426	5	1	54.46	3	8	0	-0.7497	4.14667	3.22	4.591	37.3384	111.4667	2.7715	328.845365460024
Cond-008498	NPE1112	N-[2-(dimethylamino)ethyl]-N-[(9-ethyl-9H-carbazole-3-yl)methyl]-N-methylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3177631271	CCn1c2ccccc2c2cc(C[NH+](C)CC[NH+](C)C)ccc12	InChI=1S/C20H27N3/c1-5-23-19-9-7-6-8-17(19)18-14-16(10-11-20(18)23)15-22(4)13-12-21(2)3/h6-11,14H,5,12-13,15H2,1-4H3/p+2	C20H29N3++	311.464	3	2	13.81	3	6	0	-2.1802	1.03929	3.33	3.606	44.1152	98.5384000000001	2.6852	304.514762236235
Cond-008499	NPE1113	N-[2-(Furan-2-ylmethylsulfanyl)-ethyl]-2-[4-(4-methoxy-phenyl)-pyrimidin-2-ylsulfanyl]-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4784978083	COc1ccc(cc1)c1nc(SCC(=O)NCCSCc2ccco2)ncc1	InChI=1S/C20H21N3O3S2/c1-25-16-6-4-15(5-7-16)18-8-9-22-20(23-18)28-14-19(24)21-10-12-27-13-17-3-2-11-26-17/h2-9,11H,10,12-14H2,1H3,(H,21,24)	C20H21N3O3S2	415.529	6	1	127.85	3	11	1	0.1735	3.24358	2.78	3.921	50.662	114.0757	3.0163	357.357655649919
Cond-008500	NPE1114	N-(2-furylmethyl)-16-methyltetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.7467868738	CC1C(C2c3ccccc3C1c1c2cccc1)C(=O)NCc1ccco1	InChI=1S/C23H21NO2/c1-14-20-16-8-2-4-10-18(16)22(19-11-5-3-9-17(19)20)21(14)23(25)24-13-15-7-6-12-26-15/h2-12,14,20-22H,13H2,1H3,(H,24,25)	C23H21NO2	343.418	3	1	42.24	3	4	1	-0.7916	4.28089	3.66	7.873	33.3783	102.8407	2.6365	316.730896893824
Cond-008501	NPE1115	N-(2-furylmethyl)-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.8719315472	COCCCn1c(=N)c(cc2c1nc1n(cccc1C)c2=O)C(=O)NCc1ccco1	InChI=1S/C22H23N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3-4,6-8,11-12,23H,5,9-10,13H2,1-2H3,(H,24,28)	C22H23N5O4	421.449	9	2	111.23	4	8	0	-0.755900000000002	1.65742	2.89	1.112	96.162	117.6034	3.0778	392.522406501747
Cond-008502	NPE1116	N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-{[(4-methylphenyl)sulfonyl]amino}propanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.8228593127	Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Nc1cc2c(OCO2)cc1	InChI=1S/C17H18N2O5S/c1-12-2-5-14(6-3-12)25(21,22)18-9-8-17(20)19-13-4-7-15-16(10-13)24-11-23-15/h2-7,10,18H,8-9,11H2,1H3,(H,19,20)	C17H18N2O5S	362.4	7	2	102.11	3	7	0	-1.1856	3.59908	2.45	2.505	40.8187	92.3254	2.5337	309.717288309274
Cond-008503	NPE1117	N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl){1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl}carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.933423494	Clc1ccc(CCN2CC(CC2=O)C(=O)NCc2ccc3OCOc3c2)cc1	InChI=1S/C21H21ClN2O4/c22-17-4-1-14(2-5-17)7-8-24-12-16(10-20(24)25)21(26)23-11-15-3-6-18-19(9-15)28-13-27-18/h1-6,9,16H,7-8,10-13H2,(H,23,26)	C21H21ClN2O4	400.855	6	1	67.87	4	7	0	-0.6475	3.17128	3	2.715	54.7299	108.8027	2.8459	351.820126423413
Cond-008504	NPE1118	N-(2-hydroxyethyl)-2-(5-oxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-3-yl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3875669586	OCCNC(=O)Cc1csc2nc3c(c4c(CCCC4)s3)c(=O)n12	InChI=1S/C16H17N3O3S2/c20-6-5-17-12(21)7-9-8-23-16-18-14-13(15(22)19(9)16)10-3-1-2-4-11(10)24-14/h8,20H,1-7H2,(H,17,21)	C16H17N3O3S2	363.454	6	2	135.54	4	5	0	-0.695599999999998	2.21477	2.34	0.887	77.2363	98.4	2.4731	305.526634548051
Cond-008505	NPE1119	N-(2-Morpholin-4-yl-ethyl)-4-(4-quinolin-4-yl-pyrazol-1-yl)-benzamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8507031583	O=C(NCCN1CCOCC1)c1ccc(cc1)n1cc(cn1)c1ccnc2c1cccc2	InChI=1S/C25H25N5O2/c31-25(27-11-12-29-13-15-32-16-14-29)19-5-7-21(8-6-19)30-18-20(17-28-30)22-9-10-26-24-4-2-1-3-23(22)24/h1-10,17-18H,11-16H2,(H,27,31)	C25H25N5O2	427.498	7	1	71.76	5	7	0	-0.692900000000001	3.59568000000001	3.44	3.205	43.1298	129.2817	3.2315	379.136989576625
Cond-008506	NPE112	1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-chloro-3,5-dimethylphenoxy)-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	43.1851124515	Cc1cc(OCC(O)C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc(C)c1Cl	InChI=1S/C23H29ClN2O4/c1-16-9-20(10-17(2)23(16)24)28-14-19(27)13-26-7-5-25(6-8-26)12-18-3-4-21-22(11-18)30-15-29-21/h3-4,9-11,19,27H,5-8,12-15H2,1-2H3/p+2	C23H31ClN2O4++	434.956	6	3	56.8	4	7	0	-1.7458	0.510120000000003	3.22	2.492	64.6589	116.1292	3.2567	394.321471777547
Cond-008507	NPE1120	N-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]-N'-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]hexane-1,6-diamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.726585224	O=C(CCCCC(=O)N/N=C/1\C(=O)Nc2ccccc12)N/N=C/1\C(=O)Nc2ccccc12	InChI=1S/C22H20N6O4/c29-17(25-27-19-13-7-1-3-9-15(13)23-21(19)31)11-5-6-12-18(30)26-28-20-14-8-2-4-10-16(14)24-22(20)32/h1-4,7-10H,5-6,11-12H2,(H,25,29)(H,26,30)(H,23,27,31)(H,24,28,32)	C22H20N6O4	432.432	10	4	141.12	4	9	0	-3.2568	2.82376	2.78	4.59	57.8938	122.5148	3.0916	387.346249308313
Cond-008508	NPE1121	N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-4-methylbenzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7100275469	Cc1ccc(cc1)S(=O)(=O)NOCCCN1C(=O)c2ccccc2C1=O	InChI=1S/C18H18N2O5S/c1-13-7-9-14(10-8-13)26(23,24)19-25-12-4-11-20-17(21)15-5-2-3-6-16(15)18(20)22/h2-3,5-10,19H,4,11-12H2,1H3	C18H18N2O5S	374.411	7	1	101.16	3	7	0	-1.4717	1.6809	2.56	4.067	42.9818	92.5482	2.6316	324.37681423434
Cond-008509	NPE1122	N3-[1-(4-chlorophenyl)-1-methyl-1-oxo-lambda~6~-sulfanylidene]-5,7-di(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4508435137	CS(=O)(=NC(=O)c1c2nc(cc(n2nc1)C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1	InChI=1S/C16H9ClF6N4O2S/c1-30(29,9-4-2-8(17)3-5-9)26-14(28)10-7-24-27-12(16(21,22)23)6-11(15(18,19)20)25-13(10)27/h2-7H,1H3	C16H9ClF6N4O2S	470.777	6	0	85.07	3	5	1	2.3979	5.22218	1.68	5.54	35.9639	93.4005	2.6019	326.124106169528
Cond-008510	NPE1123	N-(3,4-dimethoxyphenyl)-2-(3-cyano-6-methyl-4-phenyl(5,6,7,8-tetrahydropyridino[5,6-c]pyridin-2-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.8553198426	COc1ccc(NC(=O)CSc2nc3c(CN(C)CC3)c(c3ccccc3)c2C#N)cc1OC	InChI=1S/C26H26N4O3S/c1-30-12-11-21-20(15-30)25(17-7-5-4-6-8-17)19(14-27)26(29-21)34-16-24(31)28-18-9-10-22(32-2)23(13-18)33-3/h4-10,13H,11-12,15-16H2,1-3H3,(H,28,31)	C26H26N4O3S	474.575	7	1	112.78	4	8	0	-0.4642	5.13657000000001	3.44	4.845	61.5579	136.2557	3.5604	433.355464752486
Cond-008511	NPE1124	N-[3-(4-Methoxy-phenyl)-isoxazol-5-ylmethyl]-2-(4-methyl-piperazin-1-yl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8566520554	COc1ccc(cc1)c1noc(CNC(=O)CN2CCN(C)CC2)c1	InChI=1S/C18H24N4O3/c1-21-7-9-22(10-8-21)13-18(23)19-12-16-11-17(20-25-16)14-3-5-15(24-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23)	C18H24N4O3	344.408	7	1	70.84	3	7	0	-0.8558	1.54258	2.67	1.22	55.9921	101.1157	2.6363	315.553774593552
Cond-008512	NPE1125	N-[(3,5-dimethyl-1H-pyrazole-1-yl)methyl]-5-ethyl-1,3,4-thiadiazole-2-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1069341189	CCc1nnc(NCn2nc(C)cc2C)s1	InChI=1S/C10H15N5S/c1-4-9-12-13-10(16-9)11-6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)	C10H15N5S	237.325	5	1	83.87	2	4	0	0.8312	2.81332	1.9	2.09	38.5007	66.3567	1.7909	197.9503778531
Cond-008513	NPE1126	N'-(3-allyl-2-hydroxybenzylidene)-2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2890544175	CC(Sc1nnc(CNc2cc(Cl)ccc2)n1C)C(=O)N/N=C/c1cccc(CC=C)c1O	InChI=1S/C23H25ClN6O2S/c1-4-7-16-8-5-9-17(21(16)31)13-26-28-22(32)15(2)33-23-29-27-20(30(23)3)14-25-19-11-6-10-18(24)12-19/h4-6,8-13,15,25,31H,1,7,14H2,2-3H3,(H,28,32)/b26-13+	C23H25ClN6O2S	485.002	8	3	129.73	3	11	2	0.8352	4.76214	2.89	5.695	71.6964	134.1202	3.5526	424.874789762691
Cond-008514	NPE1127	N'-[3-bromo-4-(2-propynyloxy)benzylidene]-2-(4-morpholinyl)acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2155047459	Brc1cc(ccc1OCC#C)/C=N/NC(=O)C[NH+]1CCOCC1	InChI=1S/C16H18BrN3O3/c1-2-7-23-15-4-3-13(10-14(15)17)11-18-19-16(21)12-20-5-8-22-9-6-20/h1,3-4,10-11H,5-9,12H2,(H,19,21)/p+1/b18-11+	C16H19BrN3O3+	381.244	6	2	64.36	2	7	0	-0.9112	0.0374699999999998	2.45	2.23	62.717	94.0024	2.5168	311.186893461618
Cond-008515	NPE1128	N-(3-chloro-4-fluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.0065072677	Fc1c(Cl)cc(NC(=O)c2c3nc(cc(n3nc2)C(F)(F)F)c2cc3c(OCCO3)cc2)cc1	InChI=1S/C22H13ClF4N4O3/c23-14-8-12(2-3-15(14)24)29-21(32)13-10-28-31-19(22(25,26)27)9-16(30-20(13)31)11-1-4-17-18(7-11)34-6-5-33-17/h1-4,7-10H,5-6H2,(H,29,32)	C22H13ClF4N4O3	492.81	7	1	77.75	5	5	0	1.4155	6.87276	2.56	4.865	35.9248	121.5577	2.9609	364.523805363077
Cond-008516	NPE1129	N-(3-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.1615348176	FC(F)(F)c1cc(nc2c(cnn12)C(=O)Nc1cccc(Cl)c1)c1cc2c(OCCO2)cc1	InChI=1S/C22H14ClF3N4O3/c23-13-2-1-3-14(9-13)28-21(31)15-11-27-30-19(22(24,25)26)10-16(29-20(15)30)12-4-5-17-18(8-12)33-7-6-32-17/h1-5,8-11H,6-7H2,(H,28,31)	C22H14ClF3N4O3	474.82	7	1	77.75	5	5	0	0.9358	6.73366	2.67	4.906	35.0523	121.5997	2.9432	358.456246512771
Cond-008517	NPE113	1-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-1H-indole-2,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2292203231	O=C1N(C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O	InChI=1S/C21H21N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2/p+2	C21H23N3O4++	381.425	7	2	64.72	5	4	0	-4.0256	-0.457529999999998	3	1.995	48.0545	105.5384	2.7577	337.885818861147
Cond-008518	NPE1130	N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))[5-phenyl-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-3-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1745794481	FC(F)(F)c1cc(nc2c(cnn12)C(=O)Nc1c(C#N)c2c(CCCCC2)s1)c1ccccc1	InChI=1S/C24H18F3N5OS/c25-24(26,27)20-11-18(14-7-3-1-4-8-14)30-21-17(13-29-32(20)21)22(33)31-23-16(12-28)15-9-5-2-6-10-19(15)34-23/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,31,33)	C24H18F3N5OS	481.493	6	1	111.32	5	5	1	0.555799999999999	5.96567000000001	3	6.592	48.8182	122.1952	3.2055	387.126020157916
Cond-008519	NPE1131	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-({3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3-oxopropyl}sulfanyl)propaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7859162701	O=C(CCSCCC(=O)Nc1c(C#N)c2c(CCCC2)s1)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C24H26N4O2S3/c25-13-17-15-5-1-3-7-19(15)32-23(17)27-21(29)9-11-31-12-10-22(30)28-24-18(14-26)16-6-2-4-8-20(16)33-24/h1-12H2,(H,27,29)(H,28,30)	C24H26N4O2S3	498.684	6	2	187.56	4	10	0	0.1484	5.52505000000001	3.11	3.469	99.4643	133.4834	3.6329	443.164234316991
Cond-008520	NPE1132	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0228377671	CCC(Sc1nnc2c(n1)n(CC)c1c2cccc1)C(=O)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C24H24N6OS2/c1-3-18(22(31)27-23-16(13-25)14-9-6-8-12-19(14)32-23)33-24-26-21-20(28-29-24)15-10-5-7-11-17(15)30(21)4-2/h5,7,10-11,18H,3-4,6,8-9,12H2,1-2H3,(H,27,31)	C24H24N6OS2	476.617	7	1	150.03	5	7	0	0.295199999999999	5.08805000000001	3.11	4.78	69.3891	128.5487	3.4587	401.065586573564
Cond-008521	NPE1133	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8618691137	CCCn1c2ccccc2c2c1nc(SCC(=O)Nc1c(C#N)c3c(CCCC3)s1)nn2	InChI=1S/C23H22N6OS2/c1-2-11-29-17-9-5-3-8-15(17)20-21(29)26-23(28-27-20)31-13-19(30)25-22-16(12-24)14-7-4-6-10-18(14)32-22/h3,5,8-9H,2,4,6-7,10-11,13H2,1H3,(H,25,30)	C23H22N6OS2	462.59	7	1	150.03	5	7	0	-0.0906000000000007	4.69955000000001	3	4.487	65.35	123.9537	3.3178	383.769601947697
Cond-008522	NPE1134	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4326709716	FC(F)(F)c1c2CCc3ccccc3c2nc2cc(nn12)C(=O)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C25H18F3N5OS/c26-25(27,28)22-16-10-9-13-5-1-2-6-14(13)21(16)30-20-11-18(32-33(20)22)23(34)31-24-17(12-29)15-7-3-4-8-19(15)35-24/h1-2,5-6,11H,3-4,7-10H2,(H,31,34)	C25H18F3N5OS	493.504	6	1	111.32	6	4	1	0.9686	5.61946000000001	3.11	6.506	55.6374	124.7202	3.2378	392.065546082982
Cond-008523	NPE1135	N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(3-cyano(5,6,7,8,9-pentahydrocyclohepta[1,2-e]pyridin-2-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.363146804	O=C(CSc1c(cc2CCCCCc2n1)C#N)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C22H22N4OS2/c23-11-15-10-14-6-2-1-3-8-18(14)25-21(15)28-13-20(27)26-22-17(12-24)16-7-4-5-9-19(16)29-22/h10H,1-9,13H2,(H,26,27)	C22H22N4OS2	422.566	5	1	143.11	4	5	0	-0.390000000000001	5.83645000000001	3.11	3.986	73.1801	118.0427	3.1289	381.273014307097
Cond-008524	NPE1136	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(4,5-dibenzyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.885506907	O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C27H25N5OS2/c28-16-22-21-13-7-8-14-23(21)35-26(22)29-25(33)18-34-27-31-30-24(15-19-9-3-1-4-10-19)32(27)17-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-15,17-18H2,(H,29,33)	C27H25N5OS2	499.65	6	1	137.14	5	9	1	0.208500000000001	4.96147000000001	3.55	8.342	61.4051	134.1377	3.6956	436.683862841397
Cond-008525	NPE1137	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(4,6-diphenyl-pyrimidin-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8028241455	O=C(CSc1nc(cc(n1)c1ccccc1)c1ccccc1)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C27H22N4OS2/c28-16-21-20-13-7-8-14-24(20)34-26(21)31-25(32)17-33-27-29-22(18-9-3-1-4-10-18)15-23(30-27)19-11-5-2-6-12-19/h1-6,9-12,15H,7-8,13-14,17H2,(H,31,32)	C27H22N4OS2	482.62	5	1	132.21	5	7	1	0.1213	5.81226000000001	3.66	7.941	48.9295	134.4647	3.5528	423.05064393243
Cond-008526	NPE1138	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(6-phenyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7774724635	O=C(CSc1ncnc2c1cc(s2)c1ccccc1)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C23H18N4OS3/c24-11-17-15-8-4-5-9-18(15)30-23(17)27-20(28)12-29-21-16-10-19(14-6-2-1-3-7-14)31-22(16)26-13-25-21/h1-3,6-7,10,13H,4-5,8-9,12H2,(H,27,28)	C23H18N4OS3	462.61	5	1	160.45	5	6	1	0.7119	5.31156000000001	3.11	5.279	56.723	123.5277	3.2387	377.648646888163
Cond-008527	NPE1139	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2026174231	Cn1c2ccccc2c2c1nc(SCC(=O)Nc1c(C#N)c3c(CCCC3)s1)nn2	InChI=1S/C21H18N6OS2/c1-27-15-8-4-2-7-13(15)18-19(27)24-21(26-25-18)29-11-17(28)23-20-14(10-22)12-6-3-5-9-16(12)30-20/h2,4,7-8H,3,5-6,9,11H2,1H3,(H,23,28)	C21H18N6OS2	434.537	7	1	150.03	5	5	0	0.2368	3.82655	2.78	3.706	57.5242	114.6437	3.036	349.177632695963
Cond-008528	NPE114	1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-3-(2,4-dimethylphenoxy)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	74.5024584406	Cc1ccc(OCC(O)C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)c(C)c1	InChI=1S/C23H30N2O4/c1-17-3-5-21(18(2)11-17)27-15-20(26)14-25-9-7-24(8-10-25)13-19-4-6-22-23(12-19)29-16-28-22/h3-6,11-12,20,26H,7-10,13-16H2,1-2H3/p+2	C23H32N2O4++	400.511	6	3	56.8	4	7	0	-2.4901	-0.0885699999999968	3.33	2.818	59.0433	111.3852	3.1343	379.110404007114
Cond-008529	NPE1140	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(9-propyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6031483595	CCCn1c2ccccc2c2c1nc(SCC(=O)Nc1c(C#N)c3c(CCCC3)s1)nn2	InChI=1S/C23H22N6OS2/c1-2-11-29-17-9-5-3-8-15(17)20-21(29)26-23(28-27-20)31-13-19(30)25-22-16(12-24)14-7-4-6-10-18(14)32-22/h3,5,8-9H,2,4,6-7,10-11,13H2,1H3,(H,25,30)	C23H22N6OS2	462.59	7	1	150.03	5	7	0	-0.0906000000000007	4.69955000000001	3	4.487	65.35	123.9537	3.3178	383.769601947697
Cond-008530	NPE1141	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(9-propyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-butyramide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9812798064	CCCn1c2ccccc2c2c1nc(SC(CC)C(=O)Nc1c(C#N)c3c(CCCC3)s1)nn2	InChI=1S/C25H26N6OS2/c1-3-13-31-18-11-7-5-10-16(18)21-22(31)27-25(30-29-21)34-19(4-2)23(32)28-24-17(14-26)15-9-6-8-12-20(15)33-24/h5,7,10-11,19H,3-4,6,8-9,12-13H2,1-2H3,(H,28,32)	C25H26N6OS2	490.644	7	1	150.03	5	8	1	-0.282600000000001	5.47815000000001	3.22	5.138	72.9211	133.1657	3.5996	418.36157119943
Cond-008531	NPE1142	N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))[5-(4-fluorophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4674335747	Fc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C23H15F4N5OS/c24-13-7-5-12(6-8-13)16-9-19(23(25,26)27)32-20(29-16)10-17(31-32)21(33)30-22-15(11-28)14-3-1-2-4-18(14)34-22/h5-10H,1-4H2,(H,30,33)	C23H15F4N5OS	485.457	6	1	111.32	5	5	1	1.3235	5.65996000000001	2.78	5.737	46.7791	117.2702	3.0823	375.897594382355
Cond-008532	NPE1143	N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))[7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.693046125	FC(F)(F)c1c2CCc3c(cccc3)c2nc2cc(nn12)C(=O)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C25H18F3N5OS/c26-25(27,28)22-16-10-9-13-5-1-2-6-14(13)21(16)30-20-11-18(32-33(20)22)23(34)31-24-17(12-29)15-7-3-4-8-19(15)35-24/h1-2,5-6,11H,3-4,7-10H2,(H,31,34)	C25H18F3N5OS	493.504	6	1	111.32	6	4	1	0.9686	5.61946000000001	3.11	6.506	55.6374	124.7202	3.2378	392.065546082982
Cond-008533	NPE1144	N-(3-cyano(4,5,6-trihydrocyclopenta[1,2-d]thiophen-2-yl))-2-(3-cyano-6-methyl-4-(3-thienyl)(5,6,7,8-tetrahydropyridino[5,6-c]pyridin-2-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5938336865	C[NH+]1CCc2c(C1)c(c1cscc1)c(C#N)c(SCC(=O)Nc1c(C#N)c3c(CCC3)s1)n2	InChI=1S/C24H21N5OS3/c1-29-7-5-19-18(11-29)22(14-6-8-31-12-14)17(10-26)23(27-19)32-13-21(30)28-24-16(9-25)15-3-2-4-20(15)33-24/h6,8,12H,2-5,7,11,13H2,1H3,(H,28,30)/p+1	C24H22N5OS3+	492.659	6	2	175.79	5	6	0	-0.5718	4.18565	3.11	2.544	78.0427	134.7694	3.5009	418.159621072597
Cond-008534	NPE1145	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2812585704	Cc1nc2c(c3c(CCC3)s2)c(SCC(=O)Nc2c(C#N)c3c(CCCCC3)s2)n1	InChI=1S/C22H22N4OS3/c1-12-24-21(19-14-7-5-9-17(14)30-22(19)25-12)28-11-18(27)26-20-15(10-23)13-6-3-2-4-8-16(13)29-20/h2-9,11H2,1H3,(H,26,27)	C22H22N4OS3	454.631	5	1	160.45	5	5	0	0.5052	4.96288000000001	3	4.025	77.7621	118.7967	3.2268	379.162038364697
Cond-008535	NPE1146	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(2-phenylthieno[2,3-d]pyrimidine-4-yl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9855852128	O=C(CSc1ncnc2c1cc(s2)c1ccccc1)Nc1c(C#N)c2c(CCCCC2)s1	InChI=1S/C24H20N4OS3/c25-12-18-16-9-5-2-6-10-19(16)31-24(18)28-21(29)13-30-22-17-11-20(15-7-3-1-4-8-15)32-23(17)27-14-26-22/h1,3-4,7-8,11,14H,2,5-6,9-10,13H2,(H,28,29)	C24H20N4OS3	476.637	5	1	160.45	5	6	1	0.423899999999999	5.70166000000001	3.22	5.848	59.6346	128.1447	3.3796	394.94463151403
Cond-008536	NPE1147	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1525343439	O=C(CSc1ncnc2c1c1c(CCCC1)s2)Nc1c(C#N)c2c(CCCCC2)s1	InChI=1S/C22H22N4OS3/c23-10-15-13-6-2-1-3-8-16(13)29-20(15)26-18(27)11-28-21-19-14-7-4-5-9-17(14)30-22(19)25-12-24-21/h12H,1-9,11H2,(H,26,27)	C22H22N4OS3	454.631	5	1	160.45	5	5	0	0.165899999999998	4.86506000000001	3	4.062	74.775	118.4667	3.2268	379.162038364697
Cond-008537	NPE1148	N-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,2,4-triazolo[3,4-b]benzothiazol-3-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9237929029	O=C(CSc1nnc2sc3c(cccc3)n12)Nc1c(C#N)c2c(CCCCC2)s1	InChI=1S/C20H17N5OS3/c21-10-13-12-6-2-1-3-8-15(12)28-18(13)22-17(26)11-27-19-23-24-20-25(19)14-7-4-5-9-16(14)29-20/h4-5,7,9H,1-3,6,8,11H2,(H,22,26)	C20H17N5OS3	439.577	6	1	164.86	5	5	0	0.437099999999999	4.64415000000001	2.67	4.381	62.5326	113.8207	3.0018	342.03037062033
Cond-008538	NPE1149	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]-2-furamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	86.6738138572	Clc1cc(Cl)c(OCc2ccc(o2)C(=O)Nc2c(C#N)c3c(CCCCC3)s2)cc1	InChI=1S/C22H18Cl2N2O3S/c23-13-6-8-18(17(24)10-13)28-12-14-7-9-19(29-14)21(27)26-22-16(11-25)15-4-2-1-3-5-20(15)30-22/h6-10H,1-5,12H2,(H,26,27)	C22H18Cl2N2O3S	461.361	5	1	103.5	4	6	1	0.636499999999999	6.28567	3	5.224	58.6672	119.5522	3.128	377.873058775152
Cond-008539	NPE115	1-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-3-(3-iodo-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.6888531864	OCCN1CCN(CC(O)Cn2c3c(cccc3)c3c2ccc(I)c3)CC1	InChI=1S/C21H26IN3O2/c22-16-5-6-21-19(13-16)18-3-1-2-4-20(18)25(21)15-17(27)14-24-9-7-23(8-10-24)11-12-26/h1-6,13,17,26-27H,7-12,14-15H2	C21H26IN3O2	479.355	5	2	51.87	4	6	0	0.5815	2.77509	3.11	2.855	68.8649	119.1746	3.0501	349.67508453189
Cond-008540	NPE1150	N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4521720465	FC(F)(F)c1c2CCc3ccccc3c2nc(SCC(=O)Nc2c(C#N)c3c(CCC3)s2)n1	InChI=1S/C23H17F3N4OS2/c24-23(25,26)20-15-9-8-12-4-1-2-5-13(12)19(15)29-22(30-20)32-11-18(31)28-21-16(10-27)14-6-3-7-17(14)33-21/h1-2,4-5H,3,6-9,11H2,(H,28,31)	C23H17F3N4OS2	486.532	5	1	132.21	5	6	1	1.6322	4.94296	2.89	5.984	62.1833	116.4667	3.1713	390.878758082282
Cond-008541	NPE1151	N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.786935144	Cc1nc2c(c3c(CCCC3)s2)c(SCC(=O)Nc2c(C#N)c3c(CCC3)s2)n1	InChI=1S/C21H20N4OS3/c1-11-23-20(18-13-5-2-3-7-16(13)29-21(18)24-11)27-10-17(26)25-19-14(9-22)12-6-4-8-15(12)28-19/h2-8,10H2,1H3,(H,25,26)	C21H20N4OS3	440.605	5	1	160.45	5	5	0	0.793200000000001	4.57278	2.89	3.456	74.8505	114.1797	3.0859	361.86605373883
Cond-008542	NPE1152	N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5090142824	O=C(CSc1c(C#N)c(cc(n1)c1cccs1)c1ccccc1)Nc1c(C#N)c2c(CCC2)s1	InChI=1S/C26H18N4OS3/c27-13-19-17-8-4-9-22(17)34-26(19)30-24(31)15-33-25-20(14-28)18(16-6-2-1-3-7-16)12-21(29-25)23-10-5-11-32-23/h1-3,5-7,10-12H,4,8-9,15H2,(H,30,31)	C26H18N4OS3	498.642	5	1	171.35	5	7	1	1.0346	7.66975000000001	3.44	6.554	60.01	142.6837	3.5324	421.627224663363
Cond-008543	NPE1153	N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1,6]naphthyridin-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5277452587	C[NH+]1CCc2c(C1)c(c1cccs1)c(C#N)c(SCC(=O)Nc1c(C#N)c3c(CCC3)s1)n2	InChI=1S/C24H21N5OS3/c1-29-8-7-18-17(12-29)22(20-6-3-9-31-20)16(11-26)23(27-18)32-13-21(30)28-24-15(10-25)14-4-2-5-19(14)33-24/h3,6,9H,2,4-5,7-8,12-13H2,1H3,(H,28,30)/p+1	C24H22N5OS3+	492.659	6	2	175.79	5	6	0	-0.5718	4.18565	3.11	2.544	78.0427	134.7694	3.5009	418.159621072597
Cond-008544	NPE1154	N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-trifluoromethyl-5,6-dihydro-benzo[h]quinazolin-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8880824163	FC(F)(F)c1c2CCc3ccccc3c2nc(SCC(=O)Nc2c(C#N)c3c(CCC3)s2)n1	InChI=1S/C23H17F3N4OS2/c24-23(25,26)20-15-9-8-12-4-1-2-5-13(12)19(15)29-22(30-20)32-11-18(31)28-21-16(10-27)14-6-3-7-17(14)33-21/h1-2,4-5H,3,6-9,11H2,(H,28,31)	C23H17F3N4OS2	486.532	5	1	132.21	5	6	1	1.6322	4.94296	2.89	5.984	62.1833	116.4667	3.1713	390.878758082282
Cond-008545	NPE1155	N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0407398736	CCC1CCc2c(C1)sc(NC(=O)c1c3nc(cc(C(F)F)n3nc1)c1ccccc1)c2C#N	InChI=1S/C25H21F2N5OS/c1-2-14-8-9-16-17(12-28)25(34-21(16)10-14)31-24(33)18-13-29-32-20(22(26)27)11-19(30-23(18)32)15-6-4-3-5-7-15/h3-7,11,13-14,22H,2,8-10H2,1H3,(H,31,33)	C25H21F2N5OS	477.529	6	1	111.32	5	6	1	0.4451	6.13047000000001	3.22	6.584	55.6722	126.6972	3.3287	398.354445933476
Cond-008546	NPE1156	N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3428906231	CC1CCc2c(C1)sc(NC(=O)CSc1nc(C)nc3c1c1c(CCCC1)s3)c2C#N	InChI=1S/C23H24N4OS3/c1-12-7-8-14-16(10-24)21(31-18(14)9-12)27-19(28)11-29-22-20-15-5-3-4-6-17(15)30-23(20)26-13(2)25-22/h12H,3-9,11H2,1-2H3,(H,27,28)	C23H24N4OS3	468.658	5	1	160.45	5	5	0	1.277	5.20888000000001	3.11	4.533	85.3396	123.3437	3.3677	396.458022990563
Cond-008547	NPE1157	N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8639049043	CC1CCc2c(C1)sc(NC(=O)c1c3nc(cc(n3nc1)C(F)(F)F)c1ccccc1)c2C#N	InChI=1S/C24H18F3N5OS/c1-13-7-8-15-16(11-28)23(34-19(15)9-13)31-22(33)17-12-29-32-20(24(25,26)27)10-18(30-21(17)32)14-5-3-2-4-6-14/h2-6,10,12-13H,7-9H2,1H3,(H,31,33)	C24H18F3N5OS	481.493	6	1	111.32	5	5	1	1.6156	5.82157000000001	3	6.531	53.4841	122.1252	3.2055	387.126020157916
Cond-008548	NPE1158	N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7047529852	CC1CCc2c(C1)sc(NC(=O)CSc1nc(C)nc3c1c1c(CCCC1)s3)c2C#N	InChI=1S/C23H24N4OS3/c1-12-7-8-14-16(10-24)21(31-18(14)9-12)27-19(28)11-29-22-20-15-5-3-4-6-17(15)30-23(20)26-13(2)25-22/h12H,3-9,11H2,1-2H3,(H,27,28)	C23H24N4OS3	468.658	5	1	160.45	5	5	0	1.277	5.20888000000001	3.11	4.533	85.3396	123.3437	3.3677	396.458022990563
Cond-008549	NPE1159	N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(4-methyl-piperazin-1-yl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9081862339	CC1CCc2c(C1)sc(NC(=O)CN1CCN(C)CC1)c2C#N	InChI=1S/C17H24N4OS/c1-12-3-4-13-14(10-18)17(23-15(13)9-12)19-16(22)11-21-7-5-20(2)6-8-21/h12H,3-9,11H2,1-2H3,(H,19,22)	C17H24N4OS	332.464	5	1	87.61	3	4	0	0.477599999999999	1.45428	2.67	1.2	79.055	90.8597	2.5845	312.722819324963
Cond-008550	NPE116	1-({4-[(3-bromophenyl)methyl]piperazinyl}methyl)-2,4-dimethoxybenzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0471781924	COc1cc(OC)c(CN2CCN(Cc3cc(Br)ccc3)CC2)cc1	InChI=1S/C20H25BrN2O2/c1-24-19-7-6-17(20(13-19)25-2)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3	C20H25BrN2O2	405.329	4	0	24.94	3	6	0	0.881199999999999	4.16139	3.11	3.802	57.2999	107.118	2.8348	338.645615705958
Cond-008551	NPE1160	N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.8866111467	CC1CCc2c(C1)sc(NC(=O)CSc1nnc(n1CC=C)c1ccccc1)c2C#N	InChI=1S/C23H23N5OS2/c1-3-11-28-21(16-7-5-4-6-8-16)26-27-23(28)30-14-20(29)25-22-18(13-24)17-10-9-15(2)12-19(17)31-22/h3-8,15H,1,9-12,14H2,2H3,(H,25,29)	C23H23N5OS2	449.592	6	1	137.14	4	8	1	1.6254	4.66174000000001	3.11	5.777	74.2644	121.6497	3.3266	396.02930044033
Cond-008552	NPE1161	N-(3-hydroxypropyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-yl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3468744971	OCCCNC(=O)CSc1nc2c(c3c(CCCC3)s2)c(=O)[nH]1	InChI=1S/C15H19N3O3S2/c19-7-3-6-16-11(20)8-22-15-17-13(21)12-9-4-1-2-5-10(9)23-14(12)18-15/h19H,1-8H2,(H,16,20)(H,17,18,21)	C15H19N3O3S2	353.46	6	3	144.33	3	7	0	-0.720200000000001	1.45568	2.23	0.811999999999999	71.2727	96.5292	2.4838	303.223567323784
Cond-008553	NPE1162	N-(3-Methoxy-phenyl)-2-(4-methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3550408202	COc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1	InChI=1S/C17H23N5O3S/c1-21-15(11-22-6-8-25-9-7-22)19-20-17(21)26-12-16(23)18-13-4-3-5-14(10-13)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)	C17H23N5O3S	377.461	8	1	106.81	3	8	0	-0.2652	2.17936	2.34	1.273	63.7856	100.1767	2.7587	327.763574233452
Cond-008554	NPE1163	N-(3-methyl-1-phenylpyrazol-5-yl)-2-[4-benzyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0777279522	Cc1nn(c(NC(=O)CSc2nnc(n2Cc2ccccc2)c2ccncc2)c1)c1ccccc1	InChI=1S/C26H23N7OS/c1-19-16-23(33(31-19)22-10-6-3-7-11-22)28-24(34)18-35-26-30-29-25(21-12-14-27-15-13-21)32(26)17-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3,(H,28,34)	C26H23N7OS	481.572	8	1	115.3	5	9	1	0.2315	6.21517	3.33	6.992	36.0377	139.4937	3.5478	409.335915873464
Cond-008555	NPE1164	N-[4-(1H-tetraazole-1-yl)phenyl]dodecaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7097041175	CCCCCCCCCCCC(=O)Nc1ccc(cc1)n1cnnn1	InChI=1S/C19H29N5O/c1-2-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)24-16-20-22-23-24/h12-16H,2-11H2,1H3,(H,21,25)	C19H29N5O	343.466	6	1	72.18	2	13	2	-3.1275	5.37988000000001	2.89	6.682	46.9918	103.5557	2.8682	338.622524727263
Cond-008556	NPE1165	N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8453266003	Cc1ccc(c2csc(NC(=O)C3c4ccccc4Oc4ccccc34)n2)c(C)c1	InChI=1S/C25H20N2O2S/c1-15-11-12-17(16(2)13-15)20-14-30-25(26-20)27-24(28)23-18-7-3-5-9-21(18)29-22-10-6-4-8-19(22)23/h3-14,23H,1-2H3,(H,26,27,28)	C25H20N2O2S	412.503	4	1	79.46	5	4	1	0.941	7.62352	3.66	7.861	31.4799	125.3377	3.0526	362.019274308924
Cond-008557	NPE1166	N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-furyl)-4-quinolinecarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8293551918	Cc1ccc(o1)c1nc2ccccc2c(c1)C(=O)Nc1nc(c(C)s1)c1cc(C)ccc1C	InChI=1S/C27H23N3O2S/c1-15-9-10-16(2)20(13-15)25-18(4)33-27(29-25)30-26(31)21-14-23(24-12-11-17(3)32-24)28-22-8-6-5-7-19(21)22/h5-14H,1-4H3,(H,29,30,31)	C27H23N3O2S	453.555	5	1	96.26	5	5	1	1.9647	7.00615000000001	3.77	8.007	39.3233	136.1357	3.3912	394.071545068024
Cond-008558	NPE1167	N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1716439937	Brc1ccc(cc1)c1csc(NC(=O)C2c3c(Oc4c2cccc4)cccc3)n1	InChI=1S/C23H15BrN2O2S/c24-15-11-9-14(10-12-15)18-13-29-23(25-18)26-22(27)21-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)21/h1-13,21H,(H,25,26,27)	C23H15BrN2O2S	463.346	4	1	79.46	5	4	1	0.5458	8.27527	3.33	7.016	29.0748	125.4917	2.9458	346.710924034757
Cond-008559	NPE1168	N-[4-(4-bromophenyl)(1,3-thiazol-2-yl)]xanthen-9-ylcarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2037218871	Brc1ccc(cc1)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1	InChI=1S/C23H15BrN2O2S/c24-15-11-9-14(10-12-15)18-13-29-23(25-18)26-22(27)21-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)21/h1-13,21H,(H,25,26,27)	C23H15BrN2O2S	463.346	4	1	79.46	5	4	1	0.5458	8.27527	3.33	7.016	29.0748	125.4917	2.9458	346.710924034757
Cond-008560	NPE1169	N-[4-(4-bromophenyl)-1,3-thiazole-2-yl]undecaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.967744214	CCCCCCCCCCC(=O)Nc1nc(cs1)c1ccc(Br)cc1	InChI=1S/C20H27BrN2OS/c1-2-3-4-5-6-7-8-9-10-19(24)23-20-22-18(15-25-20)16-11-13-17(21)14-12-16/h11-15H,2-10H2,1H3,(H,22,23,24)	C20H27BrN2OS	423.41	3	1	70.23	2	12	2	-1.3733	8.32947000000001	3.11	8.057	57.5748	116.5177	3.0482	360.720871763797
Cond-008561	NPE117	1-[4-(4-Chloro-phenyl)-piperazin-1-yl]-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	76.0386267113	OC(Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2)CN1CCN(CC1)c1ccc(Cl)cc1	InChI=1S/C25H24Cl3N3O/c26-17-1-5-20(6-2-17)30-11-9-29(10-12-30)15-21(32)16-31-24-7-3-18(27)13-22(24)23-14-19(28)4-8-25(23)31/h1-8,13-14,21,32H,9-12,15-16H2	C25H24Cl3N3O	488.837	4	1	31.64	5	5	1	1.8314	6.87008000000001	3.44	5.339	59.7765	137.0408	3.4264	399.25936317263
Cond-008562	NPE1170	N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.9902515645	O=C(CSc1ncc([nH]1)c1ccccc1)Nc1nc(cs1)c1ccc(cc1)C1CCCCC1	InChI=1S/C26H26N4OS2/c31-24(17-33-25-27-15-22(28-25)20-9-5-2-6-10-20)30-26-29-23(16-32-26)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8,17H2,(H,27,28)(H,29,30,31)	C26H26N4OS2	474.641	5	2	124.21	5	8	1	-0.7347	7.26586000000001	3.55	9.075	51.3317	139.1327	3.5409	413.664035408964
Cond-008563	NPE1171	N-[4-(4-Cyclohexyl-phenyl)-thiazol-2-yl]-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9189028875	O=C(CSc1ncc([nH]1)c1ccccc1)Nc1nc(cs1)c1ccc(cc1)C1CCCCC1	InChI=1S/C26H26N4OS2/c31-24(17-33-25-27-15-22(28-25)20-9-5-2-6-10-20)30-26-29-23(16-32-26)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8,17H2,(H,27,28)(H,29,30,31)	C26H26N4OS2	474.641	5	2	124.21	5	8	1	-0.7347	7.26586000000001	3.55	9.075	51.3317	139.1327	3.5409	413.664035408964
Cond-008564	NPE1172	N-[4-(4-ethylphenyl)-5-methyl(1,3-thiazol-2-yl)][2-(5-methyl(2-furyl))(4-quinolyl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4035349184	CCc1ccc(cc1)c1c(C)sc(NC(=O)c2cc(nc3ccccc23)c2ccc(C)o2)n1	InChI=1S/C27H23N3O2S/c1-4-18-10-12-19(13-11-18)25-17(3)33-27(29-25)30-26(31)21-15-23(24-14-9-16(2)32-24)28-22-8-6-5-7-20(21)22/h5-15H,4H2,1-3H3,(H,29,30,31)	C27H23N3O2S	453.555	5	1	96.26	5	6	1	0.9876	7.45780000000001	3.77	8.253	38.6696	137.9677	3.3912	394.071545068024
Cond-008565	NPE1173	N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	74.0282729562	Fc1ccc(cc1)c1csc(NC(=O)C2c3c(Oc4c2cccc4)cccc3)n1	InChI=1S/C23H15FN2O2S/c24-15-11-9-14(10-12-15)18-13-29-23(25-18)26-22(27)21-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)21/h1-13,21H,(H,25,26,27)	C23H15FN2O2S	402.441	4	1	79.46	5	4	1	0.1367	7.65187	3.33	6.541	21.3482	117.7497	2.7885	333.494863907497
Cond-008566	NPE1174	N-[4-(4-fluorophenyl)(1,3-thiazol-2-yl)]xanthen-9-ylcarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	74.282867108	Fc1ccc(cc1)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1	InChI=1S/C23H15FN2O2S/c24-15-11-9-14(10-12-15)18-13-29-23(25-18)26-22(27)21-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)21/h1-13,21H,(H,25,26,27)	C23H15FN2O2S	402.441	4	1	79.46	5	4	1	0.1367	7.65187	3.33	6.541	21.3482	117.7497	2.7885	333.494863907497
Cond-008567	NPE1175	N-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.1456333411	O=N(=O)c1ccc(cc1)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1	InChI=1S/C23H15N3O4S/c27-22(21-16-5-1-3-7-19(16)30-20-8-4-2-6-17(20)21)25-23-24-18(13-31-23)14-9-11-15(12-10-14)26(28)29/h1-13,21H,(H,24,25,27)	C23H15N3O4S	429.448	7	1	122.6	5	5	1	0.3171	7.27997	3.11	6.469	24.3657	126.3197	2.945	353.36805996568
Cond-008568	NPE1176	N-(4,5-diphenyl(1,3-thiazol-2-yl))-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	10.9354260299	Cc1cc(O)nc(SCC(=O)Nc2nc(c(s2)c2ccccc2)c2ccccc2)n1	InChI=1S/C22H18N4O2S2/c1-14-12-17(27)24-21(23-14)29-13-18(28)25-22-26-19(15-8-4-2-5-9-15)20(30-22)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,23,24,27)(H,25,26,28)	C22H18N4O2S2	434.534	6	2	141.54	4	7	1	0.3238	6.36567	3	6.535	35.8876	123.9715	3.1016	362.990323606057
Cond-008569	NPE1177	N-[4-(6-methylbenzothiazol-2-yl)phenyl]-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2348155422	Cc1ccc2nc(sc2c1)c1ccc(NC(=O)CSc2nnc(n2CC=C)c2ccccc2)cc1	InChI=1S/C27H23N5OS2/c1-3-15-32-25(19-7-5-4-6-8-19)30-31-27(32)34-17-24(33)28-21-12-10-20(11-13-21)26-29-22-14-9-18(2)16-23(22)35-26/h3-14,16H,1,15,17H2,2H3,(H,28,33)	C27H23N5OS2	497.634	6	1	126.24	5	9	1	1.7189	7.67225000000001	3.55	7.803	50.85	147.4637	3.6526	423.147404140597
Cond-008570	NPE1178	N-(4-chlorophenyl)-2-(3-cyano-6-methyl-4-(2-thienyl)(5,6,7,8-tetrahydropyridino[5,6-c]pyridin-2-ylthio))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1141513169	CN1CCc2c(C1)c(c1cccs1)c(C#N)c(SCC(=O)Nc1ccc(Cl)cc1)n2	InChI=1S/C22H19ClN4OS2/c1-27-9-8-18-17(12-27)21(19-3-2-10-29-19)16(11-24)22(26-18)30-13-20(28)25-15-6-4-14(23)5-7-15/h2-7,10H,8-9,12-13H2,1H3,(H,25,28)	C22H19ClN4OS2	454.995	5	1	122.56	4	6	0	0.9743	5.83427	3	3.886	60.3354	126.0387	3.2083	382.94762337673
Cond-008571	NPE1179	N-(4-cyclopentylphenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]propaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.097235035	OCCN1CCN(CCC(=O)Nc2ccc(cc2)C2CCCC2)CC1	InChI=1S/C20H31N3O2/c24-16-15-23-13-11-22(12-14-23)10-9-20(25)21-19-7-5-18(6-8-19)17-3-1-2-4-17/h5-8,17,24H,1-4,9-16H2,(H,21,25)	C20H31N3O2	345.479	5	2	55.81	3	8	0	-1.3236	3.11668	3.11	3.068	70.8663	104.3495	2.8456	346.531674338158
Cond-008572	NPE118	1-({4-[(4-fluorophenyl)methyl]piperazinyl}methyl)-2,4-dimethoxybenzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5277505026	COc1cc(OC)c(CN2CCN(Cc3ccc(F)cc3)CC2)cc1	InChI=1S/C20H25FN2O2/c1-24-19-8-5-17(20(13-19)25-2)15-23-11-9-22(10-12-23)14-16-3-6-18(21)7-4-16/h3-8,13H,9-12,14-15H2,1-2H3	C20H25FN2O2	344.423	4	0	24.94	3	6	0	0.472099999999999	2.69829	3.11	3.327	49.5733	99.4500000000001	2.6775	325.429555578697
Cond-008573	NPE1180	N-[(4-ethyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.0695942672	CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2Sc2c1cccc2	InChI=1S/C26H25N5OS2/c1-3-30-24(16-27-19-14-12-18(2)13-15-19)28-29-26(30)33-17-25(32)31-20-8-4-6-10-22(20)34-23-11-7-5-9-21(23)31/h4-15,27H,3,16-17H2,1-2H3	C26H25N5OS2	487.64	6	1	113.65	5	8	1	0.9437	6.61256	3.44	7.064	53.9933	134.7877	3.5977	422.02433691633
Cond-008574	NPE1181	N-[(4-methyl-1-piperazinyl)methyl]-2-pyrazinecarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.803485502	CN1CCN(CNC(=O)c2nccnc2)CC1	InChI=1S/C11H17N5O/c1-15-4-6-16(7-5-15)9-14-11(17)10-8-12-2-3-13-10/h2-3,8H,4-7,9H2,1H3,(H,14,17)	C11H17N5O	235.286	6	1	61.36	2	4	0	-0.4542	-0.62031	2.01	-0.948	42.0169	66.4567	1.827	216.427565121928
Cond-008575	NPE1182	N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.4088921087	Cn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1c2c(Sc3c1cccc3)cccc2	InChI=1S/C25H23N5OS2/c1-17-11-13-18(14-12-17)26-15-23-27-28-25(29(23)2)32-16-24(31)30-19-7-3-5-9-21(19)33-22-10-6-4-8-20(22)30/h3-14,26H,15-16H2,1-2H3	C25H23N5OS2	473.613	6	1	113.65	5	7	1	0.693300000000001	6.12966	3.33	6.641	49.6995	130.0947	3.4568	404.728352290463
Cond-008576	NPE1183	N-[(5-{2-[(2-methylimidazo[1,2-a]pyridine-3-yl)carbonyl]hydrazin-1-ylidenemethyl}-2-furyl)methyl]-N'-(4-methylphenyl)ethanediamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6320721399	Cc1c(n2ccccc2n1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	InChI=1S/C24H22N6O4/c1-15-6-8-17(9-7-15)28-24(33)23(32)25-13-18-10-11-19(34-18)14-26-29-22(31)21-16(2)27-20-5-3-4-12-30(20)21/h3-12,14H,13H2,1-2H3,(H,25,32)(H,28,33)(H,29,31)/b26-14-	C24H22N6O4	458.469	10	3	130.1	4	10	1	-0.9864	2.88261	3	5.005	50.3394	129.3586	3.33040000000001	397.501759859247
Cond-008577	NPE1184	N-(5-{2-[(4-chlorophenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)thio]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2336023174	Cc1ccc(SCC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2)cc1	InChI=1S/C19H18ClN3O3S3/c1-13-2-6-15(7-3-13)27-12-17(24)21-19-23-22-18(28-19)10-11-29(25,26)16-8-4-14(20)5-9-16/h2-9H,10-12H2,1H3,(H,21,23,24)	C19H18ClN3O3S3	468.013	6	1	150.94	3	9	1	1.0293	5.15287	2.45	5.092	54.9736	112.4287	3.1613	373.781762852085
Cond-008578	NPE1185	N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(1-piperidinyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8794193397	O=C(C[NH+]1CCCCC1)Nc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc23)s1	InChI=1S/C23H23N5O2S3/c29-20(14-27-12-6-1-7-13-27)24-22-25-26-23(33-22)31-15-21(30)28-16-8-2-4-10-18(16)32-19-11-5-3-9-17(19)28/h2-5,8-11H,1,6-7,12-15H2,(H,24,25,29)/p+1	C23H24N5O2S3+	498.664	7	2	158.47	5	8	0	-2.1861	4.66635	2.89	4.121	65.5467	133.4334	3.5047	414.926780548891
Cond-008579	NPE1186	N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-yl}-3-(4-morpholinylsulfonyl)benzamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.4222590064	Clc1ccc(OCc2nnc(NC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)s2)cc1	InChI=1S/C20H19ClN4O5S2/c21-15-4-6-16(7-5-15)30-13-18-23-24-20(31-18)22-19(26)14-2-1-3-17(12-14)32(27,28)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2,(H,22,24,26)	C20H19ClN4O5S2	494.972	9	1	147.34	4	8	0	-0.486599999999999	4.18537000000001	2.34	2.741	58.7914	120.1297	3.2473	388.789478328841
Cond-008580	NPE1187	N-[5-(7-chloro-4-quinolylthio)-1,3,4-thiadiazol-2-yl]octanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2973625645	CCCCCCCC(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1	InChI=1S/C19H21ClN4OS2/c1-2-3-4-5-6-7-17(25)22-18-23-24-19(27-18)26-16-10-11-21-15-12-13(20)8-9-14(15)16/h8-12H,2-7H2,1H3,(H,22,23,25)	C19H21ClN4OS2	420.979	5	1	121.31	3	10	1	-0.0631999999999997	7.26735	2.67	5.822	53.65	114.0107	3.0232	351.32550430233
Cond-008581	NPE1188	N-{[(5-allyl-4-oxo-2-phenyl-thieno[2,3-d]pyrimidine-6-yl)sulfanyl]acetyl}urea	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7877324873	NC(=O)NC(=O)CSc1nc2c(cc(s2)c2ccccc2)c(=O)n1CC=C	InChI=1S/C18H16N4O3S2/c1-2-8-22-16(24)12-9-13(11-6-4-3-5-7-11)27-15(12)21-18(22)26-10-14(23)20-17(19)25/h2-7,9H,1,8,10H2,(H3,19,20,23,25)	C18H16N4O3S2	400.475	7	3	158.4	3	8	0	0.8656	2.44277	2.45	3.278	63.5337	112.5506	2.7913	342.025987905552
Cond-008582	NPE1189	N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5841593483	COc1cc(Br)cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(C)cc2)c1O	InChI=1S/C20H20BrN5O3S/c1-12-4-6-13(7-5-12)19-24-25-20(26(19)2)30-11-17(27)23-22-10-14-8-15(21)9-16(29-3)18(14)28/h4-10,28H,11H2,1-3H3,(H,23,27)/b22-10+	C20H20BrN5O3S	490.373	8	2	126.93	3	8	1	0.854	3.65267	2.56	5.486	59.9243	121.5745	3.1844	377.489312285419
Cond-008583	NPE119	1-[4-(6-Chloro-benzothiazol-2-yl)-perhydro-1,4-diazepin-1-yl]-3-(3,4-dichloro-phenoxy)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	12.6414691437	OC(COc1ccc(Cl)c(Cl)c1)CN1CCCN(CC1)c1nc2c(s1)cc(Cl)cc2	InChI=1S/C21H22Cl3N3O2S/c22-14-2-5-19-20(10-14)30-21(25-19)27-7-1-6-26(8-9-27)12-15(28)13-29-16-3-4-17(23)18(24)11-16/h2-5,10-11,15,28H,1,6-9,12-13H2	C21H22Cl3N3O2S	486.842	5	1	77.07	4	6	0	1.9667	6.64157000000001	2.78	3.998	69.2027	129.3898	3.2796	385.904051529724
Cond-008584	NPE1190	N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]dodecanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0156570056	CCCCCCCCCCCC(=O)Nc1nnc(CC2CCCC2)s1	InChI=1S/C20H35N3OS/c1-2-3-4-5-6-7-8-9-10-15-18(24)21-20-23-22-19(25-20)16-17-13-11-12-14-17/h17H,2-16H2,1H3,(H,21,23,24)	C20H35N3OS	365.576	4	1	83.12	2	14	2	-2.6654	7.36937000000001	3.11	8.107	73.8687	110.5717	3.102	371.243389096797
Cond-008585	NPE1191	N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0602029525	CCc1nnc(NC(=O)CSc2nc3c(nn2)c2ccccc2[nH]3)s1	InChI=1S/C15H13N7OS2/c1-2-11-19-22-15(25-11)17-10(23)7-24-14-18-13-12(20-21-14)8-5-3-4-6-9(8)16-13/h3-6H,2,7H2,1H3,(H,16,18,21)(H,17,22,23)	C15H13N7OS2	371.44	8	2	162.88	4	6	0	-0.3125	3.65154	2.01	2.801	39.7008	100.5237	2.485	274.027861251329
Cond-008586	NPE1192	N-(5-ethyl-1,3,4-thiadiazole-2-yl)-2-[(8-methyl-2-phenyl-4-quinazolineyl)sulfanyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5802122785	CCc1nnc(NC(=O)CSc2nc(nc3c(C)cccc23)c2ccccc2)s1	InChI=1S/C21H19N5OS2/c1-3-17-25-26-21(29-17)22-16(27)12-28-20-15-11-7-8-13(2)18(15)23-19(24-20)14-9-5-4-6-10-14/h4-11H,3,12H2,1-2H3,(H,22,26,27)	C21H19N5OS2	421.538	6	1	134.2	4	7	1	0.749900000000001	6.05527	2.89	6.033	41.9029	120.6657	3.0448	350.537331188596
Cond-008587	NPE1193	N-{5-nitro-1,3-thiazol-2-yl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5653944859	Cn1c2ccccc2c2c1nc(SCC(=O)Nc1ncc(s1)N(=O)=O)nn2	InChI=1S/C15H11N7O3S2/c1-21-9-5-3-2-4-8(9)12-13(21)18-15(20-19-12)26-7-10(23)17-14-16-6-11(27-14)22(24)25/h2-6H,7H2,1H3,(H,16,17,23)	C15H11N7O3S2	401.423	10	1	182.27	4	6	0	1.1202	3.54845	1.79	2.538	40.0752	105.0257	2.5594	288.971855951651
Cond-008588	NPE1194	N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.3304811334	Cc1ccc(cc1)C(=O)NC(=S)[N-]NC(=O)CC[NH+]1CCOCC1	InChI=1S/C16H22N4O3S/c1-12-2-4-13(5-3-12)15(22)17-16(24)19-18-14(21)6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H3,17,18,19,21,22,24)	C16H22N4O3S	350.436	7	3	103.96	2	9	0	-1.3501	-1.36149	2.34	1.586	65.5479	94.4441	2.6266	322.727288100218
Cond-008589	NPE1195	N-(5-tert-butyl-2-furoyl)tryptophan	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8409813293	CC(C)(C)c1ccc(o1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	InChI=1S/C20H22N2O4/c1-20(2,3)17-9-8-16(26-17)18(23)22-15(19(24)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-9,11,15,21H,10H2,1-3H3,(H,22,23)(H,24,25)/p-1	C20H21N2O4-	353.392	6	2	98.16	3	7	0	-0.6654	2.23267	3	3.271	44.6171	102.5512	2.6697	319.451303377513
Cond-008590	NPE1196	N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-2-(4-morpholinyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.7271443034	O=C(CN1CCOCC1)NC1c2c(CSc3c1cccc3)cccc2	InChI=1S/C20H22N2O2S/c23-19(13-22-9-11-24-12-10-22)21-20-16-6-2-1-5-15(16)14-25-18-8-4-3-7-17(18)20/h1-8,20H,9-14H2,(H,21,23)	C20H22N2O2S	354.466	4	1	66.87	4	4	0	-0.3793	1.85449	3.11	3.836	51.273	96.3897	2.6717	322.878103384391
Cond-008591	NPE1197	N6,2'-O-Dibutyryladenosine 3', 5'-cyclic monophosphate sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3372051556	CCCC(=O)Nc1c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC)c2ncn1	InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1	C18H24N5O8P	469.386	13	2	173.8	4	9	1	-1.5254	1.46788	1.9	-0.218000000000001	74.989	106.7885	3.1256	377.972463011724
Cond-008592	NPE1198	N-(6-aminohexyl)-1-naphthalene sulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.948014736	NCCCCCCNS(=O)(=O)c1c2ccccc2ccc1	InChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2	C16H22N2O2S	306.423	4	3	80.57	2	8	0	-2.8152	3.15109	2.67	3.802	36.4345	82.3551	2.4113	283.679999684123
Cond-008593	NPE1199	N-(6-aminohexyl)-5-chloro-1-naphthalene sulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2275890299	NCCCCCCNS(=O)(=O)c1c2cccc(Cl)c2ccc1	InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2	C16H21ClN2O2S	340.868	4	3	80.57	2	8	0	-2.0709	3.80449	2.56	3.054	42.0501	87.3651	2.5337	298.891067454557
Cond-008594	NPE12	1-(1,3-benzodioxol-5-ylmethyl)-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.9033013346	FC(F)(F)c1ccc(C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc1	InChI=1S/C20H21F3N2O2/c21-20(22,23)17-4-1-15(2-5-17)12-24-7-9-25(10-8-24)13-16-3-6-18-19(11-16)27-14-26-18/h1-6,11H,7-10,12-14H2/p+2	C20H23F3N2O2++	380.404	4	2	27.34	4	5	0	-2.0228	0.398390000000001	2.89	4.091	42.1799	92.5814000000001	2.6473	327.84467327931
Cond-008595	NPE120	1-[4-(6-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-3-(4-trifluoromethoxy-phenoxy)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	38.1850491648	OC(COc1ccc(OC(F)(F)F)cc1)CN1CCN(CC1)c1nc2ccc(Cl)cc2s1	InChI=1S/C21H21ClF3N3O3S/c22-14-1-6-18-19(11-14)32-20(26-18)28-9-7-27(8-10-28)12-15(29)13-30-16-2-4-17(5-3-16)31-21(23,24)25/h1-6,11,15,29H,7-10,12-13H2	C21H21ClF3N3O3S	487.923	6	1	86.3	4	8	0	2.8506	5.84327	2.56	4.256	63.4867	121.4358	3.1466	382.474819240338
Cond-008596	NPE1200	N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.952672067	COc1ccc(cc1)C(OC[C@H]1O[C@H](CC1O)n1cnc2c1ncnc2NC(=O)c1ccccc1)(c1ccccc1)c1ccc(OC)cc1	InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31?,32-,33-/m1/s1	C38H35N5O6	657.714	11	2	129.85	7	12	2	-2.0236	6.03887000000001	4.43	8.505	50.674	184.7065	4.82280000000001	576.814026908734
Cond-008597	NPE1201	N-(6-Nitro-benzothiazol-2-yl)-succinamic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.629764667	[O-]C(=O)CCC(=O)Nc1nc2ccc(cc2s1)N(=O)=O	InChI=1S/C11H9N3O5S/c15-9(3-4-10(16)17)13-11-12-7-2-1-6(14(18)19)5-8(7)20-11/h1-2,5H,3-4H2,(H,16,17)(H,12,13,15)/p-1	C11H8N3O5S-	294.263	8	1	153.5	2	6	0	-0.2321	1.77127	1.68	0.661999999999999	33.1649	75.5457	1.8752	227.976370112639
Cond-008598	NPE1202	N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-[(3,4-dimethylphenoxy)methyl]-2-furamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7808222593	Cc1c(C)cc(OCc2ccc(o2)C(=O)Nc2c(C#N)c3c(CC(CC3)C(C)(C)C)s2)cc1	InChI=1S/C27H30N2O3S/c1-16-6-8-19(12-17(16)2)31-15-20-9-11-23(32-20)25(30)29-26-22(14-28)21-10-7-18(27(3,4)5)13-24(21)33-26/h6,8-9,11-12,18H,7,10,13,15H2,1-5H3,(H,29,30)	C27H30N2O3S	462.604	5	1	103.5	4	7	1	2.6084	5.91701000000001	3.77	7.511	76.5004	130.5232	3.5877	433.930846363619
Cond-008599	NPE1203	N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-[2-(4-morpholinyl)ethyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9866114837	CC1(C)Cc2nc3c(cc2CO1)c1c(s3)c(NCCN2CCOCC2)ncn1	InChI=1S/C20H25N5O2S/c1-20(2)10-15-13(11-27-20)9-14-16-17(28-19(14)24-15)18(23-12-22-16)21-3-4-25-5-7-26-8-6-25/h9,12H,3-8,10-11H2,1-2H3,(H,21,22,23)	C20H25N5O2S	399.51	7	1	100.64	5	4	0	0.6129	3.16856	2.78	1.141	68.8485	109.9557	2.9055	335.248384008891
Cond-008600	NPE1204	N-(9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.572335705	Cc1ccc(cc1)S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	InChI=1S/C21H15NO4S/c1-13-9-11-14(12-10-13)27(25,26)22-18-8-4-7-17-19(18)21(24)16-6-3-2-5-15(16)20(17)23/h2-12,22H,1H3	C21H15NO4S	377.413	5	1	88.69	4	3	0	-0.8221	3.7731	3.11	4.992	27.3357	99.3572	2.6582	325.311946400013
Cond-008601	NPE1205	N-(9,10-dioxoanthryl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5489506031	CC(=O)Nc1cccc2c1C(=O)c1c(cccc1)C2=O	InChI=1S/C16H11NO3/c1-9(18)17-13-8-4-7-12-14(13)16(20)11-6-3-2-5-10(11)15(12)19/h2-8H,1H3,(H,17,18)	C16H11NO3	265.263	4	1	63.24	3	2	0	-1.1525	2.38879	2.78	2.898	23.5579	77.0742	1.9261	240.062148614917
Cond-008602	NPE1206	N-(9-Fluorenylmethyoxycarbonyl)-L-lysine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0892345477	NCCCCC(NC(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O	InChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)	C21H24N2O4	368.426	6	4	101.65	3	10	0	-2.1059	2.73699	3.11	3.558	45.2891	105.3449	2.8321	348.96551735378
Cond-008603	NPE1207	N-acetyl-S-[[4-(acetylamino)phenyl]sulfonyl]cysteine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5440220695	CC(=O)NC(CSS(=O)(=O)c1ccc(NC(=O)C)cc1)C(=O)O	InChI=1S/C13H16N2O6S2/c1-8(16)14-10-3-5-11(6-4-10)23(20,21)22-7-12(13(18)19)15-9(2)17/h3-6,12H,7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)	C13H16N2O6S2	360.406	8	3	163.32	1	9	0	-1.4697	1.40398	1.79	0.363	57.4212	84.5692	2.4525	306.081976666367
Cond-008604	NPE1208	N-allyl-N-[3-(4-chloro-2-methylphenoxy)propyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.980849254	Cc1cc(Cl)ccc1OCCC[NH2+]CC=C	InChI=1S/C13H18ClNO/c1-3-7-15-8-4-9-16-13-6-5-12(14)10-11(13)2/h3,5-6,10,15H,1,4,7-9H2,2H3/p+1	C13H19ClNO+	240.749	2	2	25.84	1	7	0	0.242599999999999	2.36801	2.56	3.259	39.9322	69.1174	1.9621	235.918249362628
Cond-008605	NPE1209	N-allyl-N-[3-(4-iodophenoxy)propyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4062349128	Ic1ccc(OCCCNCC=C)cc1	InChI=1S/C12H16INO/c1-2-8-14-9-3-10-15-12-6-4-11(13)5-7-12/h2,4-7,14H,1,3,8-10H2	C12H16INO	317.166	2	1	21.26	1	7	0	1.2999	3.26268	2.45	3.573	46.0607	74.1287	1.9355	227.369769286194
Cond-008606	NPE121	1-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-phenyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.3250105204	C=CCn1c(Sc2cc(c3ccccc3)c(C#N)c3nc4c(cccc4)n23)nnc1c1ccccc1	InChI=1S/C29H20N6S/c1-2-17-34-27(21-13-7-4-8-14-21)32-33-29(34)36-26-18-22(20-11-5-3-6-12-20)23(19-30)28-31-24-15-9-10-16-25(24)35(26)28/h2-16,18H,1,17H2	C29H20N6S	484.574	6	0	97.1	6	6	1	1.3708	7.76493	3.88	9.934	34.6475	145.459	3.57440000000001	410.271048039136
Cond-008607	NPE1210	N-allyl-N-[4-(2,4-dichloro-6-methylphenoxy)butyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.5451640343	Cc1cc(Cl)cc(Cl)c1OCCCCNCC=C	InChI=1S/C14H19Cl2NO/c1-3-6-17-7-4-5-8-18-14-11(2)9-12(15)10-13(14)16/h3,9-10,17H,1,4-8H2,2H3	C14H19Cl2NO	288.213	2	1	21.26	1	8	0	1.7224	4.43771	2.56	3.601	51.7594	79.9547	2.2039	267.107072408528
Cond-008608	NPE1211	N-Benzo[1,3]dioxol-5-ylmethyl-2-[4-(4-pyridin-2-yl-pyrimidin-2-yl)-phenoxy]-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7565976837	O=C(COc1ccc(cc1)c1nccc(n1)c1ccccn1)NCc1ccc2OCOc2c1	InChI=1S/C25H20N4O4/c30-24(28-14-17-4-9-22-23(13-17)33-16-32-22)15-31-19-7-5-18(6-8-19)25-27-12-10-21(29-25)20-3-1-2-11-26-20/h1-13H,14-16H2,(H,28,30)	C25H20N4O4	440.451	8	1	95.46	5	8	0	-1.2818	4.62227	3.33	4.233	25.8069	128.9827	3.16310000000001	380.44776536798
Cond-008609	NPE1212	N-Benzo[1,3]dioxol-5-ylmethyl-2-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.4092718333	O=C(CSc1ncnc2c1c1c(CCCC1)s2)NCc1ccc2OCOc2c1	InChI=1S/C20H19N3O3S2/c24-17(21-8-12-5-6-14-15(7-12)26-11-25-14)9-27-19-18-13-3-1-2-4-16(13)28-20(18)23-10-22-19/h5-7,10H,1-4,8-9,11H2,(H,21,24)	C20H19N3O3S2	413.513	6	1	126.88	5	6	0	-0.204499999999999	3.94076	2.78	2.993	54.9152	110.4337	2.8421	335.281196949118
Cond-008610	NPE1213	N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2187318208	Cc1cc2nnc(SCC(=O)NCc3ccc4OCOc4c3)n2c2ccccc12	InChI=1S/C21H18N4O3S/c1-13-8-19-23-24-21(25(19)16-5-3-2-4-15(13)16)29-11-20(26)22-10-14-6-7-17-18(9-14)28-12-27-17/h2-9H,10-12H2,1H3,(H,22,26)	C21H18N4O3S	406.458	7	1	103.05	5	6	0	0.1181	3.28118	2.89	4.523	40.3814	110.5097	2.8333	328.892000323952
Cond-008611	NPE1214	N-Benzoyl-DL-leucine beta-naphthylamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1524784757	CC(C)CC(NC(=O)c1ccccc1)C(=O)Nc1cc2c(cccc2)cc1	InChI=1S/C23H24N2O2/c1-16(2)14-21(25-22(26)18-9-4-3-5-10-18)23(27)24-20-13-12-17-8-6-7-11-19(17)15-20/h3-13,15-16,21H,14H2,1-2H3,(H,24,27)(H,25,26)	C23H24N2O2	360.449	4	2	58.2	3	8	1	-0.598200000000001	5.19148	3.55	8.008	36.9254	112.9934	2.9105	349.804115802791
Cond-008612	NPE1215	N-benzyl-4-[(2E)-2-(4-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indole-3-ylidene)hydrazino]-4-oxobutaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2108869164	Cc1c(Br)c2c(NC(=O)/C/2=N\NC(=O)CCC(=O)NCc2ccccc2)cc1	InChI=1S/C20H19BrN4O3/c1-12-7-8-14-17(18(12)21)19(20(28)23-14)25-24-16(27)10-9-15(26)22-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,22,26)(H,24,27)(H,23,25,28)	C20H19BrN4O3	443.294	7	3	99.66	3	8	0	-0.398	2.8406	2.78	4.615	56.8394	111.3441	2.9211	358.883528019652
Cond-008613	NPE1216	N-benzyl-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6740752949	O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1	InChI=1S/C22H24N2O3/c25-20(23-16-17-10-4-3-5-11-17)14-6-1-2-9-15-24-21(26)18-12-7-8-13-19(18)22(24)27/h3-5,7-8,10-13H,1-2,6,9,14-16H2,(H,23,25)	C22H24N2O3	364.438	5	1	66.48	3	10	1	-2.4871	3.44389	3.33	5.455	45.4445	105.6697	2.8713	354.834816578285
Cond-008614	NPE1217	N-Benzyloxy-2-(2-oxo-benzothiazol-3-yl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9394997091	O=C(Cn1c(=O)sc2ccccc12)NOCc1ccccc1	InChI=1S/C16H14N2O3S/c19-15(17-21-11-12-6-2-1-3-7-12)10-18-13-8-4-5-9-14(13)22-16(18)20/h1-9H,10-11H2,(H,17,19)	C16H14N2O3S	314.359	5	1	83.94	3	6	0	-0.5049	2.82127	2.56	3.993	33.5709	82.9777	2.2324	272.204391581484
Cond-008615	NPE1218	N-(bicyclo[2.2.1]hept-2-ylethyl)[5-(2-furyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	21.8028564739	CC(NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccco1)C1CC2CCC1C2	InChI=1S/C21H21F3N4O2/c1-11(14-8-12-4-5-13(14)7-12)25-20(29)16-10-19-26-15(17-3-2-6-30-17)9-18(21(22,23)24)28(19)27-16/h2-3,6,9-14H,4-5,7-8H2,1H3,(H,25,29)	C21H21F3N4O2	418.412	6	1	72.43	5	6	1	0.0409999999999986	5.04867000000001	2.78	5.583	54.7326	106.7667	2.7932	338.60480221911
Cond-008616	NPE1219	N-Butyl-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.124248307	CCCCNC(=O)CC1Nc2c(NC1=O)cccc2	InChI=1S/C14H19N3O2/c1-2-3-8-15-13(18)9-12-14(19)17-11-7-5-4-6-10(11)16-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,15,18)(H,17,19)	C14H19N3O2	261.32	5	3	70.23	2	6	0	-2.3254	2.55958	2.45	2.505	42.4891	78.5031	2.0658	252.475766582956
Cond-008617	NPE122	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dihydro-1H-inden-1-ylidene)-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6184477098	Nc1nonc1n1nnc(C(=O)N/N=C/2\CCc3ccccc23)c1c1ccccc1	InChI=1S/C20H16N8O2/c21-18-19(26-30-25-18)28-17(13-7-2-1-3-8-13)16(23-27-28)20(29)24-22-15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2,(H2,21,25)(H,24,29)/b22-15+	C20H16N8O2	400.393	10	3	136.59	5	5	1	-1.534	2.32367	2.56	5.083	32.1984	114.0331	2.7834	323.010888370991
Cond-008618	NPE1220	N-butyl-N'-(5-{[(butylamino)carbonyl]amino}-1,3-dimethyl-2-oxo-4-imidazolidinyl)urea	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6757940339	CCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C	InChI=1S/C15H30N6O3/c1-5-7-9-16-13(22)18-11-12(21(4)15(24)20(11)3)19-14(23)17-10-8-6-2/h11-12H,5-10H2,1-4H3,(H2,16,18,22)(H2,17,19,23)	C15H30N6O3	342.437	9	4	105.81	1	12	1	-2.4403	0.43239	2.12	0.752	80.4444	94.2368	2.7594	340.081634636285
Cond-008619	NPE1221	N-cyclohexyl-2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	78.3265601237	O=C(CN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O)NC1CCCCC1	InChI=1S/C26H26N2O3/c29-20(27-15-8-2-1-3-9-15)14-28-25(30)23-21-16-10-4-5-11-17(16)22(24(23)26(28)31)19-13-7-6-12-18(19)21/h4-7,10-13,15,21-24H,1-3,8-9,14H2,(H,27,29)	C26H26N2O3	414.496	5	1	66.48	4	4	1	-3.3777	3.52799	3.77	6.416	57.0342	116.6747	3.1091	386.949378979352
Cond-008620	NPE1222	N-cyclohexyl-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.119455848	FC(F)(F)c1c2CCc3ccccc3c2nc2cc(nn12)C(=O)NC1CCCCC1	InChI=1S/C22H21F3N4O/c23-22(24,25)20-16-11-10-13-6-4-5-9-15(13)19(16)27-18-12-17(28-29(18)20)21(30)26-14-7-2-1-3-8-14/h4-6,9,12,14H,1-3,7-8,10-11H2,(H,26,30)	C22H21F3N4O	414.424	5	1	59.29	5	4	1	-0.8891	5.06227000000001	3	6.52	44.4608	110.3817	2.8324	344.474101443616
Cond-008621	NPE1223	N-cyclooctyl-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.5599515637	Cc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)F)C(=O)NC1CCCCCCC1	InChI=1S/C23H26F2N4O/c1-15-9-11-16(12-10-15)19-13-20(21(24)25)29-22(28-19)18(14-26-29)23(30)27-17-7-5-3-2-4-6-8-17/h9-14,17,21H,2-8H2,1H3,(H,27,30)	C23H26F2N4O	412.476	5	1	59.29	4	5	1	-1.4422	5.74540000000001	3.22	6.982	45.1656	116.0687	3.0642	368.058985919976
Cond-008622	NPE1224	N-cyclopropyl-N'-[(2-methoxyphenyl)methyl]-N-[1-benzyl(4-piperidyl)]butane-1,4-diamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7395544167	COc1c(CNC(=O)CCC(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)cccc1	InChI=1S/C27H35N3O3/c1-33-25-10-6-5-9-22(25)19-28-26(31)13-14-27(32)30(23-11-12-23)24-15-17-29(18-16-24)20-21-7-3-2-4-8-21/h2-10,23-24H,11-20H2,1H3,(H,28,31)	C27H35N3O3	449.585	6	1	61.88	4	12	1	-2.445	3.85759000000001	3.77	4.901	71.4862	132.7417	3.61	442.591499915786
Cond-008623	NPE1225	N-decyl-2-{3-[N-benzylcarbamoyl]pyridyl}acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.7759744106	CCCCCCCCCCNC(=O)C[n+]1cccc(c1)C(=O)NCc1ccccc1	InChI=1S/C25H35N3O2/c1-2-3-4-5-6-7-8-12-17-26-24(29)21-28-18-13-16-23(20-28)25(30)27-19-22-14-10-9-11-15-22/h9-11,13-16,18,20H,2-8,12,17,19,21H2,1H3,(H-,26,27,29,30)/p+1	C25H36N3O2+	410.572	5	2	62.08	2	16	2	-5.1448	4.99018000000001	3.66	7.398	58.0609	125.3774	3.5082	425.240450715492
Cond-008624	NPE1226	N-[(E)-3-Phenyl-prop-2-en-(E)-ylidene]-benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.133245981	O=S(=O)(c1ccccc1)/N=C/C=C/c1ccccc1	InChI=1S/C15H13NO2S/c17-19(18,15-11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13+	C15H13NO2S	271.334	3	0	54.88	2	4	1	-0.7445	3.38837	2.67	6.016	26.2361	73.045	2.0416	247.477878747689
Cond-008625	NPE1227	N-(furan-2-ylmethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.9695621634	O=C(NCc1ccco1)c1nn2c(c1)nc(cc2c1ccccc1)c1ccccc1	InChI=1S/C24H18N4O2/c29-24(25-16-19-12-7-13-30-19)21-15-23-26-20(17-8-3-1-4-9-17)14-22(28(23)27-21)18-10-5-2-6-11-18/h1-15H,16H2,(H,25,29)	C24H18N4O2	394.425	6	1	72.43	5	6	1	-0.7641	5.10317	3.44	6.962	16.6708	122.2817	2.9048	334.671327340991
Cond-008626	NPE1228	N-methyl-N-benzyl[7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2523028008	CN(Cc1ccccc1)C(=O)c1nn2c(c1)nc1c(CCc3c1cccc3)c2C(F)(F)F	InChI=1S/C24H19F3N4O/c1-30(14-15-7-3-2-4-8-15)23(32)19-13-20-28-21-17-10-6-5-9-16(17)11-12-18(21)22(24(25,26)27)31(20)29-19/h2-10,13H,11-12,14H2,1H3	C24H19F3N4O	436.429	5	0	50.5	5	5	1	0.7152	4.93247000000001	3.22	7.742	36.9138	117.526	2.9852	360.256694592949
Cond-008627	NPE1229	N-{N'-[2-(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxy)-acetyl]-hydrazinocarbonyl}-benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8517182457	CC1(C)Cc2c(O1)c(OCC(=O)NNC(=O)NS(=O)(=O)c1ccccc1)ccc2	InChI=1S/C19H21N3O6S/c1-19(2)11-13-7-6-10-15(17(13)28-19)27-12-16(23)20-21-18(24)22-29(25,26)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,20,23)(H2,21,22,24)	C19H21N3O6S	419.452	9	3	131.21	3	9	0	-1.2824	2.11087	2.45	2.969	52.3485	104.3971	2.931	361.459785768935
Cond-008628	NPE123	1-(4-Benzyl-piperazin-1-yl)-3-(3,6-dibromo-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.2308586614	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCN(Cc2ccccc2)CC1	InChI=1S/C26H27Br2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2	C26H27Br2N3O	557.32	4	1	31.64	5	6	1	1.3877	5.56389000000001	3.66	6.495	64.8401	139.2948	3.5501	409.48938244233
Cond-008629	NPE1230	N,N'-Di(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid HCl	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7875449468	Cl.OC(=O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O	InChI=1S/C20H24N2O6.ClH/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24;/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28);1H	C20H25ClN2O6	424.875	8	4	121.54	2	11	1	-1.731	1.97669	2.78	1.726	53.3366	109.1406	2.9172	361.606444829835
Cond-008630	NPE1231	N,N-diethyl-2-(3-methyl-2-phenyl-9H-imidazo[1,2-a]benzimidazol-9-yl)ethanamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.565957765	CC[NH+](CC)CC[N+]1=C2N=C(C(=[N+]2c2ccccc12)C)c1ccccc1	InChI=1S/C22H26N4/c1-4-24(5-2)15-16-25-19-13-9-10-14-20(19)26-17(3)21(23-22(25)26)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3/q+2/p+1	C22H27N4+++	347.477	4	1	22.82	4	6	1	-3.4589	2.97217	3.44	5.982	50.9489	113.5087	2.8507	342.055886243336
Cond-008631	NPE1232	N,N-diethyl-N'-(2-phenyl-4-quinazolineyl)-1,3-propanediamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9256090148	CCN(CC)CCCNc1nc(nc2ccccc12)c1ccccc1	InChI=1S/C21H26N4/c1-3-25(4-2)16-10-15-22-21-18-13-8-9-14-19(18)23-20(24-21)17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,22,23,24)	C21H26N4	334.458	4	1	41.05	3	8	1	0.0334000000000013	5.29938000000001	3.33	6.031	38.515	108.8347	2.7969	324.898130967869
Cond-008632	NPE1233	N-((R)-2-Hydroxy-1-phenyl-ethyl)-formamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9654790102	OC[C@H](NC=O)c1ccccc1	InChI=1S/C9H11NO2/c11-6-9(10-7-12)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,10,12)/t9-/m0/s1	C9H11NO2	165.189	3	2	49.33	1	4	0	-1.2028	0.35879	2.12	1.71	19.4686	47.9335	1.3133	158.995240438889
Cond-008633	NPE1234	N-((R)-2-Methoxy-1-phenyl-ethyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0972635186	COC[C@H](NC(=O)C)c1ccccc1	InChI=1S/C11H15NO2/c1-9(13)12-11(8-14-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,12,13)/t11-/m0/s1	C11H15NO2	193.242	3	1	38.33	1	5	0	-0.715500000000001	1.40299	2.34	2.465	28.2918	57.3407	1.5951	193.587209690622
Cond-008634	NPE1235	N-(sec-butyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.1692811988	CCC(C)NC(=O)c1c2nc(cc(n2nc1)C(F)(F)F)c1ccc2OCCOc2c1	InChI=1S/C20H19F3N4O3/c1-3-11(2)25-19(28)13-10-24-27-17(20(21,22)23)9-14(26-18(13)27)12-4-5-15-16(8-12)30-7-6-29-15/h4-5,8-11H,3,6-7H2,1-2H3,(H,25,28)	C20H19F3N4O3	420.385	7	1	77.75	4	6	0	-0.0442999999999998	4.75617	2.56	3.719	47.5436	109.1707	2.7766	339.819044293804
Cond-008635	NPE1236	N-Tetrahydrofurfuryl-[(2,3-dihydro-5-oxo-(1H,5H)-benzo[ij]quinolizin-6-yl)methylthio]acetamide, (mixture of R and S forms)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.883916048	O=C(CSCc1cc2cccc3c2n(CCC3)c1=O)NCC1CCCO1	InChI=1S/C20H24N2O3S/c23-18(21-11-17-7-3-9-25-17)13-26-12-16-10-15-5-1-4-14-6-2-8-22(19(14)15)20(16)24/h1,4-5,10,17H,2-3,6-9,11-13H2,(H,21,23)	C20H24N2O3S	372.481	5	1	83.94	4	7	0	-1.5683	2.44238	3	2.461	73.803	106.5827	2.7734	345.204788785752
Cond-008636	NPE1237	pentyl {[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-yl]sulfanyl}acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4658712095	CCCCCOC(=O)CSc1nnc(o1)c1cc(OC)c(OC)c(OC)c1	InChI=1S/C18H24N2O6S/c1-5-6-7-8-25-15(21)11-27-18-20-19-17(26-18)12-9-13(22-2)16(24-4)14(10-12)23-3/h9-10H,5-8,11H2,1-4H3	C18H24N2O6S	396.458	8	0	118.21	2	12	1	-0.812899999999999	3.70847	2.45	3.282	61.5594	101.418	2.8849	350.796417037302
Cond-008637	NPE1238	Piperazine, 1-(8-chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	71.6834464996	Fc1ccc2CC(N3CC[NH+](CCC4OCCO4)CC3)c3cc(Cl)ccc3Sc2c1	InChI=1S/C23H26ClFN2O2S/c24-17-2-4-21-19(14-17)20(13-16-1-3-18(25)15-22(16)30-21)27-9-7-26(8-10-27)6-5-23-28-11-12-29-23/h1-4,14-15,20,23H,5-13H2/p+1	C23H27ClFN2O2S+	449.989	4	1	51.44	5	4	0	0.0131000000000006	1.89078	3.22	3.912	67.7556	113.7107	3.1904	387.642913233131
Cond-008638	NPE1239	Piperazine-N,N'-bis(2-hydroxypropane-3-sulfonic Acid)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8760360085	CC(O)C(N1CCN(CC1)C(C(C)O)S(=O)(=O)O)S(=O)(=O)O	InChI=1S/C10H22N2O8S2/c1-7(13)9(21(15,16)17)11-3-5-12(6-4-11)10(8(2)14)22(18,19)20/h7-10,13-14H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20)	C10H22N2O8S2	362.42	10	4	172.44	1	6	0	-1.6646	-0.0450000000000002	1.24	-3.658	76.561	77.2692	2.4052	298.493228394689
Cond-008639	NPE124	1-(4-Benzyl-piperazin-1-yl)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.9901060574	OC(Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12)CN1CCN(Cc2ccccc2)CC1	InChI=1S/C26H27Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2	C26H27Cl2N3O	468.418	4	1	31.64	5	6	1	1.0987	5.34569000000001	3.66	5.819	58.8731	133.9148	3.4449	401.344280028064
Cond-008640	NPE1240	Piperidine-2-carboxylic acid benzyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.506828605	O=C(OCc1ccccc1)C1CCCCN1	InChI=1S/C13H17NO2/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2	C13H17NO2	219.28	3	1	38.33	2	4	0	-1.5094	1.76629	2.56	3.402	31.0737	64.3667	1.7683	215.822720241556
Cond-008641	NPE1241	P-Nitrophenyl-2-acetamido-2-deoxy-beta-D-glucopyranoside	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3138723318	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(cc1)N(=O)=O	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1	C14H18N2O8	342.301	10	4	151.39	2	6	0	-1.7117	-0.489020000000001	1.9	0.821	49.1692	86.2671	2.3182	294.220366578156
Cond-008642	NPE1242	Potassium; 4-[2-[2-[1-butyl-3-ethyl-5-oxo-2-thioxo-imidazolidin-(4Z)-ylidene]-eth-(Z)-ylidene]-benzoxazol-3-yl]-butane-1-sulfonate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0841132567	CCCCN1C(=S)N(CC)/C(=C\C=c\2/oc3ccccc3n2CCCCS(=O)(=O)[O-])/C1=O	InChI=1S/C22H29N3O5S2/c1-3-5-14-25-21(26)18(23(4-2)22(25)31)12-13-20-24(15-8-9-16-32(27,28)29)17-10-6-7-11-19(17)30-20/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3,(H,27,28,29)/p-1/b18-12-,20-13-	C22H28N3O5S2-	478.605	8	0	133.69	3	10	1	-1.4274	4.08606000000001	2.78	5.041	95.7116	123.8829	3.48	435.284766353975
Cond-008643	NPE1243	Protoporphyrin IX disodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.342245989	[Na+].[Na+].Cc1c2[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\2)/C(=C5CCC(=O)[O-])C)/c(CCC(=O)[O-])c4C)C(=C3C)C=C)c1C=C	InChI=1S/C34H34N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;	C34H32N4Na2O4	606.622	8	2	137.62	5	8	0	1.6546	3.70868000000001	4.32	3.944	93.3718	166.736	4.3022	539.10225089838
Cond-008644	NPE1244	p-Toluenesulfonyl-L-phenylalanine chloromethyl ketone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.4728208263	Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)CCl	InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3	C17H18ClNO3S	351.848	4	1	71.62	2	7	1	-0.1105	3.1599	2.67	5.479	40.3555	89.0037	2.5475	308.707601171218
Cond-008645	NPE1245	Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)-7-(trifluoromethyl)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.2795598221	COc1ccc(cc1OC)c1nc2c(cnn2c(c1)C(F)(F)F)C(=O)Nc1ccc(C)cc1	InChI=1S/C23H19F3N4O3/c1-13-4-7-15(8-5-13)28-22(31)16-12-27-30-20(23(24,25)26)11-17(29-21(16)30)14-6-9-18(32-2)19(10-14)33-3/h4-12H,1-3H3,(H,28,31)	C23H19F3N4O3	456.417	7	1	77.75	4	7	1	1.0149	5.85349	2.89	5.554	36.9078	120.2827	3.0703	372.897622069004
Cond-008646	NPE1246	Pyrrolidinedithiocarbamic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.9803520262	SC(=S)N1CCCC1	InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)	C5H9NS2	147.262	1	0	74.13	1	1	0	0.740899999999999	1.2969	1.68	1.564	39.3727	42.391	1.0883	128.0582727519
Cond-008647	NPE1247	[(R)-1-((3S,4R,6R)-4-Hydroxy-3-methyl-2-oxo-6-phenethyl-tetrahydro-pyran-3-yl)-3-phenyl-allyl]-carbamic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.8772385154	[C@@H]1(CCc2ccccc2)C[C@@H](O)[C@](C)([C@H](NC(=O)OC)/C=C/c2ccccc2)C(=O)O1	InChI=1S/C25H29NO5/c1-25(21(26-24(29)30-2)16-14-19-11-7-4-8-12-19)22(27)17-20(31-23(25)28)15-13-18-9-5-3-6-10-18/h3-12,14,16,20-22,27H,13,15,17H2,1-2H3,(H,26,29)/b16-14+/t20-,21-,22-,25+/m1/s1	C25H29NO5	423.501	6	2	84.86	3	9	1	-0.4579	3.15518000000001	3.55	8.851	62.6693	119.9705	3.3116	413.306463648841
Cond-008648	NPE1248	(R)-1-((S)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-2,4-dimethyl-pent-4-ene-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6537821902	CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)C(=O)C(=C)C	InChI=1S/C13H19NO4/c1-7(2)10-6-18-13(17)14(10)12(16)9(5)11(15)8(3)4/h7,9-10H,3,6H2,1-2,4-5H3/t9-,10-/m1/s1	C13H19NO4	253.294	5	0	63.68	1	5	0	1.5115	1.29528	2.34	1.528	65.2415	68.389	1.9943	256.659632343478
Cond-008649	NPE1249	(R)-1-((S)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-2-methyl-butane-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	129.405657929	CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)C(=O)C	InChI=1S/C11H17NO4/c1-6(2)9-5-16-11(15)12(9)10(14)7(3)8(4)13/h6-7,9H,5H2,1-4H3/t7-,9-/m1/s1	C11H17NO4	227.257	5	0	63.68	1	4	0	0.3675	0.81289	2.12	1.058	56.2367	59.519	1.7555	224.704121792545
Cond-008650	NPE125	1,4-Bis-[2-(toluene-4-sulfonyl)-ethyl]-piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.50727167	Cc1ccc(cc1)S(=O)(=O)CC[NH+]1CC[NH+](CCS(=O)(=O)c2ccc(C)cc2)CC1	InChI=1S/C22H30N2O4S2/c1-19-3-7-21(8-4-19)29(25,26)17-15-23-11-13-24(14-12-23)16-18-30(27,28)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3/p+2	C22H32N2O4S2++	452.63	6	2	93.92	3	8	0	-2.3614	-0.198579999999998	3	3.79	65.985	106.7894	3.429	411.188926197247
Cond-008651	NPE1250	(R)-1-((S)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-4-(4-methoxy-phenyl)-2-methyl-butane-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3787229754	COc1ccc(CC(=O)[C@@H](C)C(=O)N2[C@H](COC2=O)C(C)C)cc1	InChI=1S/C18H23NO5/c1-11(2)15-10-24-18(22)19(15)17(21)12(3)16(20)9-13-5-7-14(23-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3/t12-,15-/m1/s1	C18H23NO5	333.379	6	0	72.91	2	7	0	0.3406	2.04429	2.78	2.719	62.6773	90.543	2.5629	323.400406070974
Cond-008652	NPE1251	(R)-2-[(4R,5R)-5-((R)-1-Methoxymethoxy-propyl)-2,2,5-trimethyl-[1,3]dioxolan-4-yl]-pentan-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9892153404	CC[C@@H](OCOC)[C@@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)CC	InChI=1S/C16H30O5/c1-8-12(17)11(3)14-16(6,21-15(4,5)20-14)13(9-2)19-10-18-7/h11,13-14H,8-10H2,1-7H3/t11-,13+,14+,16+/m0/s1	C16H30O5	302.406	5	0	53.99	1	8	0	-0.4518	3.14479	2.67	2.051	79.2946	83.187	2.5049	314.250428815873
Cond-008653	NPE1252	(R)-2-((4R,5R,6R)-6-Ethyl-5-methoxy-2,2,5-trimethyl-[1,3]dioxan-4-yl)-thiopropionic acid S-(2-acetylamino-ethyl) ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3988812176	CC[C@H]1OC(C)(C)O[C@H]([C@@H](C)C(=O)SCCNC(=O)C)[C@]1(C)OC	InChI=1S/C17H31NO5S/c1-8-13-17(6,21-7)14(23-16(4,5)22-13)11(2)15(20)24-10-9-18-12(3)19/h11,13-14H,8-10H2,1-7H3,(H,18,19)/t11-,13-,14-,17-/m1/s1	C17H31NO5S	361.497	6	1	99.16	1	9	0	-0.260100000000001	2.58749	2.56	1.802	92.673	98.0857	2.8661	358.415739006707
Cond-008654	NPE1253	(R)-2-((S)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-3,3-dimethyl-2,3-dihydro-pyran-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9064153606	[C@H]1(C[C@H]2COC(C)(C)O2)OC=CC(=O)C1(C)C	InChI=1S/C13H20O4/c1-12(2)10(14)5-6-15-11(12)7-9-8-16-13(3,4)17-9/h5-6,9,11H,7-8H2,1-4H3/t9-,11+/m0/s1	C13H20O4	240.296	4	0	44.76	2	2	0	-0.2264	2.19588	2.45	1.428	61.8308	65.295	1.8719	238.579330836111
Cond-008655	NPE1254	(R)-3-((2S,3R)-3-Hydroxy-2-methyl-butyryl)-4-isopropyl-oxazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.0777604193	C[C@@H](O)[C@H](C)C(=O)N1[C@@H](COC1=O)C(C)C	InChI=1S/C11H19NO4/c1-6(2)9-5-16-11(15)12(9)10(14)7(3)8(4)13/h6-9,13H,5H2,1-4H3/t7-,8+,9-/m0/s1	C11H19NO4	229.273	5	1	66.84	1	4	0	0.162	0.60469	2.12	0.672	57.3275	60.5188	1.7985	227.340580493345
Cond-008656	NPE1255	(R)-5-Benzyloxy-1-[1,3]dithian-2-yl-pentane-1,3-diol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9834702414	O[C@H](CCOCc1ccccc1)CC(O)C1SCCCS1	InChI=1S/C16H24O3S2/c17-14(11-15(18)16-20-9-4-10-21-16)7-8-19-12-13-5-2-1-3-6-13/h1-3,5-6,14-18H,4,7-12H2/t14-,15?/m1/s1	C16H24O3S2	328.49	3	2	100.29	2	8	0	-0.679700000000001	2.5619	2.67	3.906	59.8922	89.9106	2.5199	305.158647427551
Cond-008657	NPE1256	(R)-6-Benzyloxy-5,5-dimethyl-hexane-1,2,4-triol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	118.063846353	CC(C)(COCc1ccccc1)[C@H](O)CC(O)CO	InChI=1S/C15H24O4/c1-15(2,14(18)8-13(17)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13?,14-/m1/s1	C15H24O4	268.349	4	3	69.92	1	8	0	-0.974800000000001	0.994100000000001	2.67	2.283	46.7816	72.8394000000001	2.2193	271.991300087845
Cond-008658	NPE1257	[(S)-1-((3S,4R,6R)-4-Hydroxy-3-methyl-2-oxo-6-phenethyl-tetrahydro-pyran-3-yl)-3-phenyl-allyl]-carbamic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.3299400292	[C@@H]1(CCc2ccccc2)C[C@@H](O)[C@](C)([C@@H](NC(=O)OC)/C=C/c2ccccc2)C(=O)O1	InChI=1S/C25H29NO5/c1-25(21(26-24(29)30-2)16-14-19-11-7-4-8-12-19)22(27)17-20(31-23(25)28)15-13-18-9-5-3-6-10-18/h3-12,14,16,20-22,27H,13,15,17H2,1-2H3,(H,26,29)/b16-14+/t20-,21+,22-,25+/m1/s1	C25H29NO5	423.501	6	2	84.86	3	9	1	-0.4579	3.15518000000001	3.55	8.851	62.6693	119.9705	3.3116	413.306463648841
Cond-008659	NPE1258	(S)-1-((R)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-2-methyl-butane-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.444942801	CC(C)[C@@H]1COC(=O)N1C(=O)[C@@H](C)C(=O)C	InChI=1S/C11H17NO4/c1-6(2)9-5-16-11(15)12(9)10(14)7(3)8(4)13/h6-7,9H,5H2,1-4H3/t7-,9-/m0/s1	C11H17NO4	227.257	5	0	63.68	1	4	0	0.3675	0.81289	2.12	1.058	56.2367	59.519	1.7555	224.704121792545
Cond-008660	NPE1259	(S)-2-((4R,5R)-5-Benzyloxy-2,2,5-trimethyl-[1,3]dioxan-4-yl)-propan-1-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8243713148	C[C@@H](CO)[C@H]1OC(C)(C)OC[C@@]1(C)OCc1ccccc1	InChI=1S/C17H26O4/c1-13(10-18)15-17(4,12-20-16(2,3)21-15)19-11-14-8-6-5-7-9-14/h5-9,13,15,18H,10-12H2,1-4H3/t13-,15+,17+/m0/s1	C17H26O4	294.386	4	1	47.92	2	5	0	-0.527600000000002	2.4023	2.89	3.789	55.6252	80.0338	2.3925	294.226810638779
Cond-008661	NPE126	1-(4-Chloro-phenyl)-2-[4-(4-chloro-phenyl)-5-(1-methyl-1H-imidazol-2-ylsulfanyl)-pyrimidin-2-ylsulfanyl]-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	31.4136125654	Cn1ccnc1Sc1c(nc(SCC(=O)c2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1	InChI=1S/C22H16Cl2N4OS2/c1-28-11-10-25-22(28)31-19-12-26-21(27-20(19)15-4-8-17(24)9-5-15)30-13-18(29)14-2-6-16(23)7-3-14/h2-12H,13H2,1H3	C22H16Cl2N4OS2	487.425	5	0	111.27	4	7	1	2.3197	5.59826	2.89	5.265	45.3209	122.566	3.2877	384.622232446363
Cond-008662	NPE1260	(S)-3-[(2R,3R)-3-(1-Ethoxy-ethoxy)-3-((2S,3R)-3-ethyl-2-methyl-oxiranyl)-2-methyl-propionyl]-4-isopropyl-oxazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0079625057	CCOC(C)O[C@H]([C@@H](C)C(=O)N1[C@H](COC1=O)C(C)C)[C@@]1(C)O[C@@H]1CC	InChI=1S/C19H33NO6/c1-8-15-19(7,26-15)16(25-13(6)23-9-2)12(5)17(21)20-14(11(3)4)10-24-18(20)22/h11-16H,8-10H2,1-7H3/t12-,13?,14-,15-,16-,19+/m1/s1	C19H33NO6	371.468	7	0	77.6	2	10	0	0.802199999999999	2.55909	2.78	2.47	92.4115	98.3680000000001	2.9345	370.932452200602
Cond-008663	NPE1261	(S)-3-[(2R,3R)-3-(3-Ethyl-2-methyl-oxiranyl)-3-methoxymethoxy-2-methyl-propionyl]-4-isopropyl-oxazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.2932779652	CCC1OC1(C)[C@H](OCOC)[C@@H](C)C(=O)N1[C@H](COC1=O)C(C)C	InChI=1S/C17H29NO6/c1-7-13-17(5,24-13)14(23-9-21-6)11(4)15(19)18-12(10(2)3)8-22-16(18)20/h10-14H,7-9H2,1-6H3/t11-,12-,13?,14-,17?/m1/s1	C17H29NO6	343.415	7	0	77.6	2	9	0	0.0840000000000002	1.78049	2.56	1.587	83.8958	89.156	2.6527	336.340482948868
Cond-008664	NPE1262	(S)-3-((2R,3R)-3-Hydroxy-2,4-dimethyl-pent-4-enoyl)-4-isopropyl-oxazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.7955450285	CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)[C@@H](O)C(=C)C	InChI=1S/C13H21NO4/c1-7(2)10-6-18-13(17)14(10)12(16)9(5)11(15)8(3)4/h7,9-11,15H,3,6H2,1-2,4-5H3/t9-,10-,11+/m1/s1	C13H21NO4	255.31	5	1	66.84	1	5	0	1.2646	1.08708	2.34	0.781	65.858	69.3888	2.0373	259.296091044278
Cond-008665	NPE1263	(S)-3-((2R,3S)-3-Hydroxy-2,4-dimethyl-pent-4-enoyl)-4-isopropyl-oxazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.346318601	CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)[C@H](O)C(=C)C	InChI=1S/C13H21NO4/c1-7(2)10-6-18-13(17)14(10)12(16)9(5)11(15)8(3)4/h7,9-11,15H,3,6H2,1-2,4-5H3/t9-,10-,11-/m1/s1	C13H21NO4	255.31	5	1	66.84	1	5	0	1.2646	1.08708	2.34	0.781	65.858	69.3888	2.0373	259.296091044278
Cond-008666	NPE1264	(S)-3-((E)-But-2-enyl)-5-(4-methoxy-phenyl)-4-methyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2966789296	COc1ccc(cc1)C1OC(=O)C(C/C=C/C)[C@@H]1C	InChI=1S/C16H20O3/c1-4-5-6-14-11(2)15(19-16(14)17)12-7-9-13(18-3)10-8-12/h4-5,7-11,14-15H,6H2,1-3H3/b5-4+/t11-,14?,15?/m0/s1	C16H20O3	260.328	3	0	35.53	2	4	0	0.765099999999999	3.33058	2.89	3.973	50.0788	76.107	2.1069	262.86768191075
Cond-008667	NPE1265	(S)-6-tert-Butyl-4-hydroxy-3-methyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7257471149	[C@H]1(CC(O)[C@@H](C)C(=O)O1)C(C)(C)C	InChI=1S/C10H18O3/c1-6-7(11)5-8(10(2,3)4)13-9(6)12/h6-8,11H,5H2,1-4H3/t6-,7?,8+/m1/s1	C10H18O3	186.248	3	1	46.53	1	1	0	0.9108	1.57889	2.23	1.35	47.0446	52.3658	1.5421	192.89406765955
Cond-008668	NPE1266	SODIUM 6,11-DIOXO-6,11-DIHYDRO-3H-ANTHRA(1,2-D)(1,2,3)TRIAZOLE-4-SULFONATE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.8071008164	[Na+].[O-]S(=O)(=O)c1cc2c(c3c1[nH]nn3)C(=O)c1ccccc1C2=O	InChI=1S/C14H7N3O5S.Na/c18-13-6-3-1-2-4-7(6)14(19)10-8(13)5-9(23(20,21)22)11-12(10)16-17-15-11;/h1-5H,(H,15,16,17)(H,20,21,22);/q;+1/p-1	C14H6N3NaO5S	351.269	8	1	141.29	4	1	0	-2.1673	0.38298	2.01	2.319	22.6336	71.4864	1.9947	238.978489187039
Cond-008669	NPE1267	Spiro[cyclohexane-1,2'-[2H]cyclopentapyrimidin]-4'(3'H)-one, 1',5',6',7'-tetrahydro- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	127.160654036	O=C1NC2(CCCCC2)NC2=C1CCC2	InChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15)	C12H18N2O	206.284	3	2	41.13	3	0	0	-2.6198	1.96428	2.45	1.691	48.2551	60.9444	1.6459	204.549727824095
Cond-008670	NPE1268	Spiro(indan-N-thiomorpholinomethylpyrrolidine-2',5'-dione)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0795519271	O=C1CC2(CCc3c2cccc3)C(=O)N1CN1CCSCC1	InChI=1S/C17H20N2O2S/c20-15-11-17(6-5-13-3-1-2-4-14(13)17)16(21)19(15)12-18-7-9-22-10-8-18/h1-4H,5-12H2	C17H20N2O2S	316.418	4	0	65.92	4	2	0	-0.3128	1.86969	2.78	3.307	63.0577	89.919	2.335	287.16306690839
Cond-008671	NPE1269	tetracyclo[6.6.2.0<2,7>.0<9,14>]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,16-dicarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.6716028907	OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)O	InChI=1S/C18H14O4/c19-17(20)15-13-9-5-1-2-6-10(9)14(16(15)18(21)22)12-8-4-3-7-11(12)13/h1-8,13-16H,(H,19,20)(H,21,22)	C18H14O4	294.301	4	2	74.6	2	2	1	-0.772	2.87949	3	5.534	29.1304	80.2106000000001	2.1012	262.727584359045
Cond-008672	NPE127	1-(4-Chloro-phenyl)-2-[4-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-ylmethyl)-4H-1,2,4-triazol-3-ylsulfanyl]-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0413458121	Cn1c(Cc2nc(no2)c2cnccn2)nnc1SCC(=O)c1ccc(Cl)cc1	InChI=1S/C18H14ClN7O2S/c1-26-15(8-16-22-17(25-28-16)13-9-20-6-7-21-13)23-24-18(26)29-10-14(27)11-2-4-12(19)5-3-11/h2-7,9H,8,10H2,1H3	C18H14ClN7O2S	427.867	9	0	137.78	4	7	0	0.5427	3.40686	2.23	2.957	36.4425	107.565	2.8393	326.135168140724
Cond-008673	NPE1270	Tryptamine Hydrochloride [3-(2-Aminoethyl)indole Hydrochloride]	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6618213348	Cl.NCCc1c[nH]c2c1cccc2	InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H	C10H13ClN2	196.677	2	3	41.81	2	2	0	-0.9031	1.59239	2.34	1.721	16.6861	52.5304	1.328	146.451073171
Cond-008674	NPE1271	Urea, (1,2,3,4-tetrahydro-4-hydroxy-1-naphthalenyl)- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.368045175	NC(=O)NC1CCC(O)c2ccccc12	InChI=1S/C11H14N2O2/c12-11(15)13-9-5-6-10(14)8-4-2-1-3-7(8)9/h1-4,9-10,14H,5-6H2,(H3,12,13,15)	C11H14N2O2	206.241	4	4	75.35	2	2	0	-1.7648	0.13899	2.23	1.089	25.1262	57.3939	1.5863	192.227511197989
Cond-008675	NPE128	1-(4-chlorophenyl)-2-{[5-(10H-phenothiazine-10-ylmethyl)-1,3,4-oxadiazole-2-yl]sulfanyl}ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4403751983	Clc1ccc(cc1)C(=O)CSc1nnc(CN2c3ccccc3Sc3ccccc23)o1	InChI=1S/C23H16ClN3O2S2/c24-16-11-9-15(10-12-16)19(28)14-30-23-26-25-22(29-23)13-27-17-5-1-3-7-20(17)31-21-8-4-2-6-18(21)27/h1-12H,13-14H2	C23H16ClN3O2S2	465.975	5	0	109.83	5	6	1	1.3306	5.98296	3.11	6.513	40.3399	118.955	3.1565	372.144157093391
Cond-008676	NPE129	[1-[(4-Cyanomethyl-phenylcarbamoyl)-methyl]-cyclopentyl]-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1384525887	[O-]C(=O)CC1(CC(=O)Nc2ccc(CC#N)cc2)CCCC1	InChI=1S/C17H20N2O3/c18-10-7-13-3-5-14(6-4-13)19-15(20)11-17(12-16(21)22)8-1-2-9-17/h3-6H,1-2,7-9,11-12H2,(H,19,20)(H,21,22)/p-1	C17H19N2O3-	299.344	5	1	93.02	2	7	0	-2.2343	0.811490000000002	2.78	2.541	50.4037	81.0487	2.3399	295.566040200951
Cond-008677	NPE13	1-(1,3-benzodioxol-5-ylmethyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2228986186	COc1c2OCOc2cc(C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)c1	InChI=1S/C21H24N2O5/c1-24-19-9-16(10-20-21(19)28-14-27-20)12-23-6-4-22(5-7-23)11-15-2-3-17-18(8-15)26-13-25-17/h2-3,8-10H,4-7,11-14H2,1H3/p+2	C21H26N2O5++	386.442	7	2	55.03	5	5	0	-3.4754	-0.0412199999999965	3	1.572	50.5332	103.0934	2.8026	340.952202755141
Cond-008678	NPE130	1-(4-cyclopentylphenyl)-4-(4-methylpiperazinyl)butan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7448917567	CN1CCN(CCCC(=O)c2ccc(cc2)C2CCCC2)CC1	InChI=1S/C20H30N2O/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17/h8-11,17H,2-7,12-16H2,1H3	C20H30N2O	314.465	3	0	23.55	3	6	0	-0.701200000000001	3.52289	3.33	4.813	65.3901	98.1740000000001	2.6871	326.74468742943
Cond-008679	NPE131	1,4-di(4-benzyloxy-2-butynyl)piperazine; hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9250011689	C(OCc1ccccc1)C#CCN1CCN(CC#CCOCc2ccccc2)CC1	InChI=1S/C26H30N2O2/c1-3-11-25(12-4-1)23-29-21-9-7-15-27-17-19-28(20-18-27)16-8-10-22-30-24-26-13-5-2-6-14-26/h1-6,11-14H,15-24H2	C26H30N2O2	402.529	4	0	24.94	3	8	1	1.015	2.52458	3.88	5.798	73.283	117.826	3.3332	412.592069680391
Cond-008680	NPE132	1-(4-Ethoxy-phenyl)-3-(2-piperidin-1-yl-ethylamino)-pyrrolidine-2,5-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9591797987	CCOc1ccc(cc1)N1C(=O)CC(NCCN2CCCCC2)C1=O	InChI=1S/C19H27N3O3/c1-2-25-16-8-6-15(7-9-16)22-18(23)14-17(19(22)24)20-10-13-21-11-4-3-5-12-21/h6-9,17,20H,2-5,10-14H2,1H3	C19H27N3O3	345.436	6	1	61.88	3	7	0	-1.9068	2.55368	2.89	2.188	65.6462	100.4697	2.7204	335.389457712052
Cond-008681	NPE133	1-(4-methyl-5-{[2-(trifluoromethyl)(4-quinolylthio)]methyl}-1,2,4-triazol-3-ylthio)acetone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4867962133	Cn1c(CSc2cc(nc3ccccc23)C(F)(F)F)nnc1SCC(=O)C	InChI=1S/C17H15F3N4OS2/c1-10(25)8-27-16-23-22-15(24(16)2)9-26-13-7-14(17(18,19)20)21-12-6-4-3-5-11(12)13/h3-7H,8-9H2,1-2H3	C17H15F3N4OS2	412.452	5	0	111.27	3	7	1	1.9507	4.04525	2.23	5.026	50.6609	95.116	2.6721	319.725143831082
Cond-008682	NPE134	[1-(4-Methyl-benzyl)-1H-benzimidazol-2-ylsulfanyl]-acetic acid [1-biphenyl-4-yl-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9798602061	Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(cc3)c3ccccc3)nc3ccccc23)cc1	InChI=1S/C30H26N4OS/c1-22-11-13-24(14-12-22)20-34-28-10-6-5-9-27(28)32-30(34)36-21-29(35)33-31-19-23-15-17-26(18-16-23)25-7-3-2-4-8-25/h2-19H,20-21H2,1H3,(H,33,35)/b31-19+	C30H26N4OS	490.619	5	1	84.58	5	9	1	0.3866	6.31258000000001	4.1	12.016	40.4603	149.1767	3.76900000000001	442.893115051631
Cond-008683	NPE135	1-[(4-methyl-phenyl)-SULFONYLthioimino-S-METHYL]-4,5 -dihydro-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.282722513	CCOC(=O)c1c2CCC=Cc2c(s1)/S(=N/S(=O)(=O)c1ccc(C)cc1)/C	InChI=1S/C19H21NO4S3/c1-4-24-18(21)17-15-7-5-6-8-16(15)19(25-17)26(3)20-27(22,23)14-11-9-13(2)10-12-14/h6,8-12H,4-5,7H2,1-3H3	C19H21NO4S3	423.569	5	0	128.63	3	6	1	1.4458	3.91309	2.67	5.032	66.0519	101.306	2.984	361.54031876748
Cond-008684	NPE136	1'-(4-morpholinylmethyl)-1',3'-dihydrospiro[1,3-dioxane-2,3'-(2'H)-indole]-2'-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4092718333	O=C1N(C[NH+]2CCOCC2)c2ccccc2C21OCCCO2	InChI=1S/C16H20N2O4/c19-15-16(21-8-3-9-22-16)13-4-1-2-5-14(13)18(15)12-17-6-10-20-11-7-17/h1-2,4-5H,3,6-12H2/p+1	C16H21N2O4+	305.349	6	1	52.44	4	2	0	-2.7339	-0.0299100000000003	2.56	0.672	50.0181	81.6647	2.2125	272.893199677245
Cond-008685	NPE137	1-(4-Nitro-phenyl)-2-[5-(4-pentyl-phenyl)-4H-1,2,4-triazol-3-ylsulfanyl]-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2678592584	CCCCCc1ccc(cc1)c1nnc([nH]1)SCC(=O)c1ccc(cc1)N(=O)=O	InChI=1S/C21H22N4O3S/c1-2-3-4-5-15-6-8-17(9-7-15)20-22-21(24-23-20)29-14-19(26)16-10-12-18(13-11-16)25(27)28/h6-13H,2-5,14H2,1H3,(H,22,23,24)	C21H22N4O3S	410.489	7	1	127.08	3	10	1	-0.3856	4.31977000000001	2.89	7.675	44.3904	116.103	3.0505	364.504917725552
Cond-008686	NPE138	1-{[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-1,2,3,4-tetrahydroquinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.7363933282	Cn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCc2c1cccc2	InChI=1S/C21H24N6OS2/c1-14-11-15(2)23-20(22-14)29-12-18-24-25-21(26(18)3)30-13-19(28)27-10-6-8-16-7-4-5-9-17(16)27/h4-5,7,9,11H,6,8,10,12-13H2,1-3H3	C21H24N6OS2	440.585	7	0	127.4	4	7	0	1.1367	4.09749	2.78	4.787	64.8516	116.893	3.2306	377.707008798363
Cond-008687	NPE139	1-[5-(5-isopropyl-2-methyl-phenoxy)-pentyl]-piperazine 1oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	52.1344742133	CC(C)c1ccc(C)c(OCCCCC[NH+]2CC[NH2+]CC2)c1	InChI=1S/C19H32N2O/c1-16(2)18-8-7-17(3)19(15-18)22-14-6-4-5-11-21-12-9-20-10-13-21/h7-8,15-16,20H,4-6,9-14H2,1-3H3/p+2	C19H34N2O++	306.486	3	3	30.28	2	8	0	-2.6214	1.40452	3.22	4.359	58.397	93.0671000000001	2.7408	327.078078905963
Cond-008688	NPE14	1-[(1,3-Benzodioxol-5-ylmethyl)-amino]-3-(2-bromo-4-chloro-6-methyl-phenoxy)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1937172775	Cc1c(OCC(O)C[NH2+]Cc2cc3c(OCO3)cc2)c(Br)cc(Cl)c1	InChI=1S/C18H19BrClNO4/c1-11-4-13(20)6-15(19)18(11)23-9-14(22)8-21-7-12-2-3-16-17(5-12)25-10-24-16/h2-6,14,21-22H,7-10H2,1H3/p+1	C18H20BrClNO4+	429.713	5	3	64.53	3	7	0	-0.101499999999999	3.07931	2.67	3.362	48.9071	100.9872	2.7145	327.166636768013
Cond-008689	NPE140	1-[(5-fluoro-1-benzothien-3-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.219267401	[Br-].Fc1cc2c(scc2C[N+]23CN4CN(CN(C4)C2)C3)cc1	InChI=1S/C15H18FN4S.BrH/c16-13-1-2-15-14(3-13)12(5-21-15)4-20-9-17-6-18(10-20)8-19(7-17)11-20;/h1-3,5H,4,6-11H2;1H/q+1;/p-1	C15H18BrFN4S	385.298	4	0	37.96	2	2	0	-0.289399999999999	1.37059	2.45	2.212	47.4756	81.8454	2.109	243.749952872574
Cond-008690	NPE141	1-[6-(2,4-Dimethoxy-phenyl)-3-methylsulfanyl-5-oxa-1,2,4,7-tetraaza-dibenzo[a,c]cyclohepten-7-yl]-butan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3946708968	CCCC(=O)N1C(Oc2c(nnc(SC)n2)c2ccccc12)c1ccc(OC)cc1OC	InChI=1S/C23H24N4O4S/c1-5-8-19(28)27-17-10-7-6-9-15(17)20-21(24-23(32-4)26-25-20)31-22(27)16-12-11-14(29-2)13-18(16)30-3/h6-7,9-13,22H,5,8H2,1-4H3	C23H24N4O4S	452.526	8	0	111.97	4	7	0	-0.269299999999999	5.93097	3	4.967	53.7194	129.494	3.2824	395.530654977047
Cond-008691	NPE142	1-(6-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-ethylthio-6H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepin-7-yl)propan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.097501339	CCSc1nc2c(nn1)c1ccccc1N(C(O2)c1ccc2OCOc2c1)C(=O)CC	InChI=1S/C22H20N4O4S/c1-3-18(27)26-15-8-6-5-7-14(15)19-20(23-22(25-24-19)31-4-2)30-21(26)13-9-10-16-17(11-13)29-12-28-16/h5-11,21H,3-4,12H2,1-2H3	C22H20N4O4S	436.484	8	0	111.97	5	5	0	0.0700000000000016	5.58776	2.89	4.683	47.9421	122.247	3.0329	365.87821165038
Cond-008692	NPE143	1-(6-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-methylthio-6H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepin-7-yl)butan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8460051696	CCCC(=O)N1C(Oc2c(nnc(SC)n2)c2ccccc12)c1ccc2OCOc2c1	InChI=1S/C22H20N4O4S/c1-3-6-18(27)26-15-8-5-4-7-14(15)19-20(23-22(31-2)25-24-19)30-21(26)13-9-10-16-17(11-13)29-12-28-16/h4-5,7-11,21H,3,6,12H2,1-2H3	C22H20N4O4S	436.484	8	0	111.97	5	5	0	-0.468399999999999	5.58776	2.89	4.894	46.5599	122.247	3.0329	365.87821165038
Cond-008693	NPE144	(1-[[6-(3-Trifluoromethyl-phenoxy)-pyridin-3-ylcarbamoyl]-methyl]-cyclopentyl)-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3638194527	OC(=O)CC1(CC(=O)Nc2cnc(Oc3cccc(c3)C(F)(F)F)cc2)CCCC1	InChI=1S/C21H21F3N2O4/c22-21(23,24)14-4-3-5-16(10-14)30-18-7-6-15(13-25-18)26-17(27)11-20(12-19(28)29)8-1-2-9-20/h3-7,10,13H,1-2,8-9,11-12H2,(H,26,27)(H,28,29)	C21H21F3N2O4	422.398	6	2	88.52	3	9	1	-0.682	6.65526000000001	2.78	5.788	49.9874	107.9655	2.8852	367.168193904699
Cond-008694	NPE145	1-((6-Aminohexyl)amino)-9,10-anthracenedione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.1035880958	NCCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O	InChI=1S/C20H22N2O2/c21-12-5-1-2-6-13-22-17-11-7-10-16-18(17)20(24)15-9-4-3-8-14(15)19(16)23/h3-4,7-11,22H,1-2,5-6,12-13,21H2	C20H22N2O2	322.401	4	3	72.19	3	7	0	-2.8267	3.36139	3.22	3.668	39.2849	98.7826	2.5738	314.089079326791
Cond-008695	NPE146	1,6-Bis-(4-benzyl-2-oxo-oxazolidin-3-yl)-hexane-1,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7803577775	O=C(CCCCC(=O)N1C(Cc2ccccc2)COC1=O)N1C(Cc2ccccc2)COC1=O	InChI=1S/C26H28N2O6/c29-23(27-21(17-33-25(27)31)15-19-9-3-1-4-10-19)13-7-8-14-24(30)28-22(18-34-26(28)32)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2	C26H28N2O6	464.51	8	0	93.22	4	11	2	-0.874200000000002	3.32499	3.44	6.982	68.3412	125.578	3.4594	435.396517781836
Cond-008696	NPE147	17-[2-(1-piperidinyl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1305642759	O=C1C2C(C3c4c(cccc4)C2c2c3cccc2)C(=O)N1CCN1CCCCC1	InChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2	C25H26N2O2	386.486	4	0	40.62	4	3	1	-1.8551	3.56499	3.77	6.133	57.5564	111.95	2.9525	363.499626353725
Cond-008697	NPE148	17-[2-(4-acetyl-1-piperazinyl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1310534772	CC(=O)N1CCN(CCN2C(=O)C3C(C4c5ccccc5C3c3c4cccc3)C2=O)CC1	InChI=1S/C26H27N3O3/c1-16(30)28-13-10-27(11-14-28)12-15-29-25(31)23-21-17-6-2-3-7-18(17)22(24(23)26(29)32)20-9-5-4-8-19(20)21/h2-9,21-24H,10-15H2,1H3	C26H27N3O3	429.511	6	0	60.93	4	4	0	-1.5928	2.24319	3.66	4.701	71.1119	120.353	3.2089	397.946139187519
Cond-008698	NPE149	17-{[(4-methoxyphenyl)amino]methyl}-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.811051276	COc1ccc(NCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1	InChI=1S/C26H22N2O3/c1-31-16-12-10-15(11-13-16)27-14-28-25(29)23-21-17-6-2-3-7-18(17)22(24(23)26(28)30)20-9-5-4-8-19(20)21/h2-13,21-24,27H,14H2,1H3	C26H22N2O3	410.464	5	1	58.64	4	4	1	-1.5174	4.75738	3.77	7.055	41.9245	118.5187	3.0231	370.776461577752
Cond-008699	NPE15	1-[(1,3-Benzodioxol-5-ylmethyl)-amino]-3-(4-1,2,3-thiadiazol-4-yl-phenoxy)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2716695753	OC(C[NH2+]Cc1cc2c(OCO2)cc1)COc1ccc(cc1)c1csnn1	InChI=1S/C19H19N3O4S/c23-15(9-20-8-13-1-6-18-19(7-13)26-12-25-18)10-24-16-4-2-14(3-5-16)17-11-27-22-21-17/h1-7,11,15,20,23H,8-10,12H2/p+1	C19H20N3O4S+	386.445	7	3	118.55	4	8	0	-1.786	2.14758	2.67	2.995	36.9838	104.1582	2.7265	321.941103017413
Cond-008700	NPE150	1-((7-HO-4-oxo-3-phenyl-4H-chromen-8-yl)methyl-4-methyl-piperazin-1-ium; chloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3421302449	Cl.CN1CCN(Cc2c(O)ccc3c2occ(c3=O)c2ccccc2)CC1	InChI=1S/C21H22N2O3.ClH/c1-22-9-11-23(12-10-22)13-17-19(24)8-7-16-20(25)18(14-26-21(16)17)15-5-3-2-4-6-15;/h2-8,14,24H,9-13H2,1H3;1H	C21H23ClN2O3	386.872	5	1	53.01	4	3	0	-0.9403	2.75748	3.22	3.678	52.9236	103.7888	2.6648	327.818831952419
Cond-008701	NPE151	1-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-3-p-tolyloxy-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	27.8529618356	Cc1ccc(OCC(O)C[NH+]2CCn3c4ccc(C)cc4c4c3C2CCC4)cc1	InChI=1S/C25H30N2O2/c1-17-6-9-20(10-7-17)29-16-19(28)15-26-12-13-27-23-11-8-18(2)14-22(23)21-4-3-5-24(26)25(21)27/h6-11,14,19,24,28H,3-5,12-13,15-16H2,1-2H3/p+1	C25H31N2O2+	391.526	4	2	38.83	5	5	1	-1.3291	2.97802000000001	3.77	5.164	54.4191	115.8615	3.1256	368.910773105725
Cond-008702	NPE152	1-(9-benzyl-2-phenyl-9H-imidazo[1,2-a]benzimidazol-3-yl)ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	68.9221870403	CC(=O)c1c(nc2n(Cc3ccccc3)c3ccccc3n12)c1ccccc1	InChI=1S/C24H19N3O/c1-17(28)23-22(19-12-6-3-7-13-19)25-24-26(16-18-10-4-2-5-11-18)20-14-8-9-15-21(20)27(23)24/h2-15H,16H2,1H3	C24H19N3O	365.427	4	0	39.3	5	4	1	-0.2159	6.30637	3.66	7.872	21.2786	117.946	2.7893	317.520799133063
Cond-008703	NPE153	1-(9-ethyl-2-methyl-9-hydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	84.798922935	CCn1c2nc(C)c(n2c2c1cccc2)C(=O)CC	InChI=1S/C15H17N3O/c1-4-13(19)14-10(3)16-15-17(5-2)11-8-6-7-9-12(11)18(14)15/h6-9H,4-5H2,1-3H3	C15H17N3O	255.315	4	0	39.3	3	3	0	0.640900000000001	4.16829	2.67	3.155	37.3129	81.034	1.9964	224.188607106662
Cond-008704	NPE154	1-(9H-9-carbazolyl)-3-{4-[3-(3,6-dibromo-9H-9-carbazolyl)-2-hydroxypropyl]piperazino}-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.1105293775	OC(Cn1c2ccc(Br)cc2c2c1ccc(Br)c2)CN1CCN(CC(O)Cn2c3c(cccc3)c3c2cccc3)CC1	InChI=1S/C34H34Br2N4O2/c35-23-9-11-33-29(17-23)30-18-24(36)10-12-34(30)40(33)22-26(42)20-38-15-13-37(14-16-38)19-25(41)21-39-31-7-3-1-5-27(31)28-6-2-4-8-32(28)39/h1-12,17-18,25-26,41-42H,13-16,19-22H2	C34H34Br2N4O2	690.467	6	2	56.8	7	8	1	0.901799999999999	7.27738000000001	4.32	7.022	78.4128	181.2636	4.4896	513.221952853991
Cond-008705	NPE155	1-acetyl-2-(4-butoxy-3-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.9515221435	CCCCOc1ccc(cc1OC)C1C(N2C(C=Cc3ccccc23)C1(C#N)C#N)C(=O)C	InChI=1S/C27H27N3O3/c1-4-5-14-33-22-12-10-20(15-23(22)32-3)25-26(18(2)31)30-21-9-7-6-8-19(21)11-13-24(30)27(25,16-28)17-29/h6-13,15,24-26H,4-5,14H2,1-3H3	C27H27N3O3	441.522	6	0	86.35	4	7	0	-1.1307	4.74796000000001	3.77	4.674	74.8741	126.465	3.438	432.045665112586
Cond-008706	NPE156	[1-(benzo[c]1,2,5-thiadiazol-4-ylsulfonyl)(4-piperidyl)]-N-[3-(dimethylamino)propyl]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0698689956	CN(C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)c1c2nsnc2ccc1	InChI=1S/C17H25N5O3S2/c1-21(2)10-4-9-18-17(23)13-7-11-22(12-8-13)27(24,25)15-6-3-5-14-16(15)20-26-19-14/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,23)	C17H25N5O3S2	411.542	8	1	132.12	3	8	0	-1.7252	1.90768	2.23	0.689	71.8732	104.0177	2.9652	348.909056991852
Cond-008707	NPE157	(1-Benzyl-1H-benzimidazol-2-ylsulfanyl)-acetic acid [1-biphenyl-4-yl-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7424475773	O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(cc1)c1ccccc1	InChI=1S/C29H24N4OS/c34-28(32-30-19-22-15-17-25(18-16-22)24-11-5-2-6-12-24)21-35-29-31-26-13-7-8-14-27(26)33(29)20-23-9-3-1-4-10-23/h1-19H,20-21H2,(H,32,34)/b30-19+	C29H24N4OS	476.592	5	1	84.58	5	9	1	-0.2554	6.28456000000001	3.99	11.693	34.9582	145.5367	3.62810000000001	425.597130425764
Cond-008708	NPE158	1-Benzyl-3-[5-(4-trifluoromethyl-benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	47.7099869684	FC(F)(F)c1ccc(CSc2nnc(o2)c2cccn(Cc3ccccc3)c2=O)cc1	InChI=1S/C22H16F3N3O2S/c23-22(24,25)17-10-8-16(9-11-17)14-31-21-27-26-19(30-21)18-7-4-12-28(20(18)29)13-15-5-2-1-3-6-15/h1-12H,13-14H2	C22H16F3N3O2S	443.442	5	0	84.53	4	7	1	1.142	4.68266	2.89	6.732	51.3719	110.074	2.9344	365.22367459201
Cond-008709	NPE159	1-Benzyl-4-[2-(4-chloro-benzenesulfonyl)-ethyl]-piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.7200568653	Clc1ccc(cc1)S(=O)(=O)CCN1CCN(Cc2ccccc2)CC1	InChI=1S/C19H23ClN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2	C19H23ClN2O2S	378.916	4	0	49	3	6	0	0.426700000000001	3.10589	2.89	4.377	53.0386	96.604	2.8048	335.786103930557
Cond-008710	NPE16	1-[1-(3-chloropropyl)(4-imidazolino[1,2-a]benzimidazol-2-yl)]-4-methoxybenzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.9320352041	COc1ccc(cc1)c1cn2c(nc3c2cccc3)n1CCCCl	InChI=1S/C19H18ClN3O/c1-24-15-9-7-14(8-10-15)18-13-23-17-6-3-2-5-16(17)21-19(23)22(18)12-4-11-20/h2-3,5-10,13H,4,11-12H2,1H3	C19H18ClN3O	339.819	4	0	31.46	4	5	1	0.4541	5.85747	3	5.12	31.0634	102.02	2.4878	280.054237278162
Cond-008711	NPE160	1-Benzyl-4-(2-phenyl-1H-imidazol-4-ylmethyl)-piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9035659282	C(N1CCN(Cc2ccccc2)CC1)c1c[nH]c(n1)c1ccccc1	InChI=1S/C21H24N4/c1-3-7-18(8-4-1)16-24-11-13-25(14-12-24)17-20-15-22-21(23-20)19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,23)	C21H24N4	332.442	4	1	35.16	4	5	1	-0.324400000000001	2.68719	3.33	5.386	37.3692	101.865	2.6883	312.541672267069
Cond-008712	NPE161	({1-benzyl-4-nitro-2-methyl-1H-imidazole-5-yl}sulfanyl)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.586247327	Cc1nc(c(SCC(=O)[O-])n1Cc1ccccc1)N(=O)=O	InChI=1S/C13H13N3O4S/c1-9-14-12(16(19)20)13(21-8-11(17)18)15(9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)/p-1	C13H12N3O4S-	306.317	7	0	126.39	2	6	0	0.2074	0.967800000000001	2.01	3.022	34.6959	76.158	2.0983	253.778112663812
Cond-008713	NPE162	1-benzyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.443717185	Cc1c(C#N)c(=O)n(Cc2ccccc2)c(O)c1	InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3	C14H12N2O2	240.257	4	1	64.33	2	2	0	0.4909	1.84737	2.56	3.056	42.37	66.2388	1.837	233.569630272389
Cond-008714	NPE163	{[1-benzylbenzimidazol-2-yl]methyl}[1-(2-piperidylethyl)benzimidazol-2-yl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.9030671974	C(C[NH+]1CCCCC1)n1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12	InChI=1S/C29H32N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16H,2,9-10,17-22H2,(H,30,32)/p+1	C29H33N6+	465.613	6	2	52.11	6	8	1	-2.6323	5.26357000000001	3.99	7.084	46.104	144.4044	3.6904	419.799005536736
Cond-008715	NPE164	1-[Bis-(2-hydroxy-ethyl)-amino]-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.8583054547	OCCN(CCO)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C19H22Cl2N2O3/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(26)11-22(5-7-24)6-8-25/h1-4,9-10,15,24-26H,5-8,11-12H2	C19H22Cl2N2O3	397.296	5	3	68.86	3	8	0	0.1533	3.15399	2.78	1.85	56.3921	107.1234	2.8224	330.378374343952
Cond-008716	NPE165	1-[Bis-(2-hydroxy-ethyl)-amino]-3-carbazol-9-yl-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.9127399651	OCCN(CCO)CC(O)Cn1c2c(cccc2)c2c1cccc2	InChI=1S/C19H24N2O3/c22-11-9-20(10-12-23)13-15(24)14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-8,15,22-24H,9-14H2	C19H24N2O3	328.405	5	3	68.86	3	8	0	-1.3353	1.84719	3	2.08	45.1609	97.1034000000001	2.5776	299.956238803085
Cond-008717	NPE166	1-butyl-3-[(4-nitro-1H-benzoimidazole-2-yl)methyl]-1H-imidazole-3-ium	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2733736727	[Cl-].CCCCn1cc[n+](Cc2nc3c(cccc3[nH]2)N(=O)=O)c1	InChI=1S/C15H18N5O2.ClH/c1-2-3-7-18-8-9-19(11-18)10-14-16-12-5-4-6-13(20(21)22)15(12)17-14;/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17);1H/q+1;/p-1	C15H18ClN5O2	335.789	7	1	80.63	3	6	0	-1.6925	3.02498	2.34	3.086	31.2343	86.1270000000001	2.2332	253.654124873156
Cond-008718	NPE167	1-Carbazol-9-yl-3-piperazin-1-yl-propan-2-ol 2HCl	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7260092316	OC(Cn1c2c(cccc2)c2c1cccc2)CN1CCNCC1	InChI=1S/C19H23N3O/c23-15(13-21-11-9-20-10-12-21)14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-8,15,20,23H,9-14H2	C19H23N3O	309.405	4	2	40.43	4	4	0	-0.8351	2.46579	3.11	2.902	43.3317	95.8015000000001	2.4514	281.016086909329
Cond-008719	NPE168	1-carbazol-9-yl-3-piperazinylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5712623618	OC(Cn1c2ccccc2c2ccccc12)C[NH+]1CC[NH2+]CC1	InChI=1S/C19H23N3O/c23-15(13-21-11-9-20-10-12-21)14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-8,15,20,23H,9-14H2/p+2	C19H25N3O++	311.421	4	4	46.21	4	4	0	-3.3157	0.0224900000000031	3.11	2.855	37.1337	93.7149000000001	2.4944	283.652545610129
Cond-008720	NPE169	1-Chloro-3-methoxy-benzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.877589074	COc1cccc(Cl)c1	InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3	C7H7ClO	142.583	1	0	9.23	1	1	0	0.6925	2.84939	2.01	2.448	12.9314	40.065	1.0384	122.463810749661
Cond-008721	NPE17	11-{[3-(dimethylamino)propyl]amino}-1,2,3,10-tetrahydrobenzoimidazolo[1,2-a]cyclopenta[1,2-d]pyridine-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.815406469	CN(C)CCCNc1c2CCCc2c(C#N)c2nc3c(cccc3)n12	InChI=1S/C20H23N5/c1-24(2)12-6-11-22-19-15-8-5-7-14(15)16(13-21)20-23-17-9-3-4-10-18(17)25(19)20/h3-4,9-10,22H,5-8,11-12H2,1-2H3	C20H23N5	333.43	5	1	56.36	4	5	0	-0.582699999999999	4.08807000000001	3.11	3.45	51.6664	104.6987	2.6472	306.242447849369
Cond-008722	NPE170	1-(diallylamino)-3-(10H-phenothiazin-10-yl)-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8068184494	OC(CN(CC=C)CC=C)CN1c2c(Sc3c1cccc3)cccc2	InChI=1S/C21H24N2OS/c1-3-13-22(14-4-2)15-17(24)16-23-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)23/h3-12,17,24H,1-2,13-16H2	C21H24N2OS	352.493	3	1	52.01	3	8	0	1.5677	4.13676000000001	3.33	4.561	58.6952	102.3898	2.8195	341.103861309696
Cond-008723	NPE171	1-(dibenzylamino)-3-{2-nitrophenoxy}-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.5920702564	OC(COc1ccccc1N(=O)=O)C[NH+](Cc1ccccc1)Cc1ccccc1	InChI=1S/C23H24N2O4/c26-21(18-29-23-14-8-7-13-22(23)25(27)28)17-24(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2/p+1	C23H25N2O4+	393.456	6	2	77.04	3	10	1	-1.4022	2.36169	3.33	7.077	30.3204	112.1905	3.0494	368.702798554313
Cond-008724	NPE172	1-Dibenzylamino-3-(3,6-dibromo-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6526152041	OC(CN(Cc1ccccc1)Cc1ccccc1)Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2	InChI=1S/C29H26Br2N2O/c30-23-11-13-28-26(15-23)27-16-24(31)12-14-29(27)33(28)20-25(34)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,25,34H,17-20H2	C29H26Br2N2O	578.338	3	1	28.4	5	8	1	1.3397	7.10899000000001	4.1	9.76	47.8055	147.3778	3.74400000000001	431.571200009364
Cond-008725	NPE173	[(1E)-2-(5-bromo(2-furyl))-1-azavinyl](5,6-diphenyl(1,2,4-triazin-3-yl))amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.3484153413	Brc1ccc(o1)/C=N/Nc1nc(c2ccccc2)c(nn1)c1ccccc1	InChI=1S/C20H14BrN5O/c21-17-12-11-16(27-17)13-22-25-20-23-18(14-7-3-1-4-8-14)19(24-26-20)15-9-5-2-6-10-15/h1-13H,(H,23,25,26)/b22-13+	C20H14BrN5O	420.262	6	1	76.2	4	5	1	0.1365	5.81197	2.89	8.931	21.3889	112.9887	2.7089	312.870458724296
Cond-008726	NPE174	(1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.117270574	O=C(/C=C/c1ccccc1)/C=C/c1ccccc1	InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+	C17H14O	234.292	1	0	17.07	2	4	1	0.4584	3.85077	3.22	8.11	25.833	77.078	1.9584	241.137378332295
Cond-008727	NPE175	(1-Ethyl-1H-benzimidazol-2-ylsulfanyl)-acetic acid [2-oxo-1,2-dihydro-indol-(3E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	43.3408363938	CCn1c(SCC(=O)N/N=C/2\C(=O)Nc3ccccc23)nc2ccccc12	InChI=1S/C19H17N5O2S/c1-2-24-15-10-6-5-9-14(15)21-19(24)27-11-16(25)22-23-17-12-7-3-4-8-13(12)20-18(17)26/h3-10H,2,11H2,1H3,(H,22,25)(H,20,23,26)	C19H17N5O2S	379.436	7	2	113.68	4	6	0	-0.6205	3.69835	2.67	4.551	46.7301	107.1024	2.7012	319.763023280624
Cond-008728	NPE176	1-Ethyl-3-[2-(3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinolin-2-ylmethylsulfanyl)-ethyl]-urea	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0797417885	CCNC(=O)NCCSCc1cc2cccc3c2n(CCC3)c1=O	InChI=1S/C18H23N3O2S/c1-2-19-18(23)20-8-10-24-12-15-11-14-6-3-5-13-7-4-9-21(16(13)14)17(15)22/h3,5-6,11H,2,4,7-10,12H2,1H3,(H2,19,20,23)	C18H23N3O2S	345.459	5	2	86.74	3	8	0	-0.226199999999999	1.83038	2.78	2.699	70.8924	101.2854	2.6413	325.175811742424
Cond-008729	NPE177	1-Ethyl-3-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-ethylsulfanyl]-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.695753345	CCc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c2c1CCCC2	InChI=1S/C23H20N2O3S/c1-2-19-16-9-5-4-8-15(16)18(12-24)22(25-19)29-13-20(26)17-11-14-7-3-6-10-21(14)28-23(17)27/h3,6-7,10-11H,2,4-5,8-9,13H2,1H3	C23H20N2O3S	404.481	5	0	105.35	4	5	1	-0.347100000000001	4.34697	3.33	5.286	63.6546	112.254	2.9811	373.010449159352
Cond-008730	NPE178	(1H-Benzimidazol-2-ylsulfanyl)-acetic acid [1-(4-phenoxy-phenyl)-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.9749854567	O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Oc2ccccc2)cc1	InChI=1S/C22H18N4O2S/c27-21(15-29-22-24-19-8-4-5-9-20(19)25-22)26-23-14-16-10-12-18(13-11-16)28-17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)(H,26,27)/b23-14+	C22H18N4O2S	402.469	6	2	104.67	4	8	1	-0.8547	4.58635	3.11	6.782	32.2671	118.7567	2.9381	344.481299548457
Cond-008731	NPE179	1H-Benzimidazole, 2-[[(3-bromoimidazo[1,2-a]pyridin-2-yl)methyl]thio]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6859325693	Brc1c(CSC2N=c3ccccc3=N2)nc2ccccn12	InChI=1S/C15H11BrN4S/c16-14-12(17-13-7-3-4-8-20(13)14)9-21-15-18-10-5-1-2-6-11(10)19-15/h1-8,15H,9H2	C15H11BrN4S	359.244	4	0	67.32	4	3	0	1.9049	2.52998	2.45	3.575	40.0846	87.829	2.1814	246.558407547034
Cond-008732	NPE18	11-[(4-methyl-1-piperazinyl)acetyl]-5,11-dihydro-6H-pyrido[3,2-c][2]benzazepin-6-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0742214938	C[NH+]1CC[NH+](CC(=O)C2c3ccccc3C(=O)Nc3c2nccc3)CC1	InChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)13-17(25)18-14-5-2-3-6-15(14)20(26)22-16-7-4-8-21-19(16)18/h2-8,18H,9-13H2,1H3,(H,22,26)/p+2	C20H24N4O2++	352.43	6	3	67.94	4	3	0	-3.9842	-0.632009999999998	3	1.47	45.5166	100.2701	2.7078	326.362599743124
Cond-008733	NPE180	(1H-Benzoimidazol-2-ylsulfanyl)-acetic acid fluoren-9-ylidene-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	75.5830782737	O=C(CSc1nc2ccccc2[nH]1)NN=C1c2ccccc2c2ccccc12	InChI=1S/C22H16N4OS/c27-20(13-28-22-23-18-11-5-6-12-19(18)24-22)25-26-21-16-9-3-1-7-14(16)15-8-2-4-10-17(15)21/h1-12H,13H2,(H,23,24)(H,25,27)	C22H16N4OS	384.454	5	2	95.44	5	5	1	-0.772	3.74056	3.22	7.081	29.7001	114.5447	2.7708	323.334614147096
Cond-008734	NPE181	1H-Fluorene-1,7,9-tricarboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, 1,9-dimethyl ester, [1R-(1.alpha.,4a.alpha.,9.alpha.,9a.beta.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.952504542	C1(C(=O)OC)c2c(ccc(c2)C(=O)O)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C20H24O6/c1-19-8-5-9-20(2,18(24)26-4)15(19)14(17(23)25-3)12-10-11(16(21)22)6-7-13(12)19/h6-7,10,14-15H,5,8-9H2,1-4H3,(H,21,22)/t14?,15-,19-,20+/m0/s1	C20H24O6	360.401	6	1	89.9	3	5	0	0.0175999999999999	2.86049	3	3.853	67.4296	95.9958	2.695	343.429383114302
Cond-008735	NPE182	1H-Fluorene-1,7,9-tricarboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, trimethyl ester, [1R-(1.alpha.,4a.alpha.,9.alpha.,9a.beta.)]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	111.367765378	C1(C(=O)OC)c2c(ccc(c2)C(=O)OC)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C21H26O6/c1-20-9-6-10-21(2,19(24)27-5)16(20)15(18(23)26-4)13-11-12(17(22)25-3)7-8-14(13)20/h7-8,11,15-16H,6,9-10H2,1-5H3/t15?,16-,20-,21+/m0/s1	C21H26O6	374.428	6	0	78.9	3	6	0	0.268600000000001	2.94889	3.11	4.174	72.1987	100.376	2.8359	360.725367740169
Cond-008736	NPE183	1H-Fluorene-1,7,9-tricarboxylic acid, dodecahydro-1,4a-dimethyl-, 1,9-dimethyl ester, [1R-(1.alpha.,4a.alpha.,4b.beta.,7.alpha.,8a.beta.,9.alpha.,9a.beta.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	120.672203478	C1(C2C[C@H](CCC2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12)C(=O)O)C(=O)OC	InChI=1S/C20H30O6/c1-19-8-5-9-20(2,18(24)26-4)15(19)14(17(23)25-3)12-10-11(16(21)22)6-7-13(12)19/h11-15H,5-10H2,1-4H3,(H,21,22)/t11-,12?,13?,14?,15-,19-,20+/m0/s1	C20H30O6	366.449	6	1	89.9	3	5	0	0.106099999999999	3.12589	3	3.39	91.1959	96.2768000000001	2.824	362.238759216702
Cond-008737	NPE184	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, (1.alpha.,4a.alpha.,9.beta.,9a.alpha.)- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.254850577	C1(C(=O)O)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)O)[C@H]12	InChI=1S/C17H20O4/c1-16-8-5-9-17(2,15(20)21)13(16)12(14(18)19)10-6-3-4-7-11(10)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t12?,13-,16+,17-/m1/s1	C17H20O4	288.338	4	2	74.6	3	2	0	-0.2446	3.25099	2.89	4.607	50.6721	80.4976000000001	2.1979	276.597434536379
Cond-008738	NPE185	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, (1R,4aR,9S,9aS)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	129.107189203	C1(C(=O)O)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]12	InChI=1S/C17H20O4/c1-16-8-5-9-17(2,15(20)21)13(16)12(14(18)19)10-6-3-4-7-11(10)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t12?,13-,16-,17+/m0/s1	C17H20O4	288.338	4	2	74.6	3	2	0	-0.2446	3.25099	2.89	4.607	50.6721	80.4976000000001	2.1979	276.597434536379
Cond-008739	NPE186	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-7-hydroxy-1,4a-dimethyl-, dimethyl ester, (1.alpha.,4a.alpha.,9.alpha.,9a.beta.)- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9474877791	C1(C(=O)OC)c2c(ccc(O)c2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C19H24O5/c1-18-8-5-9-19(2,17(22)24-4)15(18)14(16(21)23-3)12-10-11(20)6-7-13(12)18/h6-7,10,14-15,20H,5,8-9H2,1-4H3/t14?,15-,18-,19+/m0/s1	C19H24O5	332.391	5	1	72.83	3	4	0	-0.202900000000001	3.13339	3	3.442	62.7749	90.9228	2.5384	319.979630488674
Cond-008740	NPE187	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-9-hydroxy-1,4a-dimethyl-, [1R-(1.alpha.,4a.alpha.,9.beta.,9a.alpha.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	104.567869193	[C@@H]12[C@@](C)(CCC[C@@]1(C)C(=O)O)c1c(cccc1)C2(O)C(=O)O	InChI=1S/C17H20O5/c1-15-8-5-9-16(2,13(18)19)12(15)17(22,14(20)21)11-7-4-3-6-10(11)15/h3-4,6-7,12,22H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t12-,15+,16-,17?/m1/s1	C17H20O5	304.338	5	3	94.83	3	2	0	-0.8451	2.01389	2.78	3.027	51.9181	80.8754000000001	2.2566	285.38766123694
Cond-008741	NPE188	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-9-hydroxy-1,4a-dimethyl-8-methoxy-, [1R-(1.alpha.,4a.alpha.,9.beta.,9a.alpha.)]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3988812176	[C@@H]12[C@@](C)(CCC[C@@]1(C)C(=O)O)c1c(c(OC)ccc1)C2(O)C(=O)O	InChI=1S/C18H22O6/c1-16-8-5-9-17(2,14(19)20)13(16)18(23,15(21)22)12-10(16)6-4-7-11(12)24-3/h4,6-7,13,23H,5,8-9H2,1-3H3,(H,19,20)(H,21,22)/t13-,16+,17-,18?/m1/s1	C18H22O6	334.364	6	3	104.06	3	3	0	-0.8969	2.57799	2.78	2.161	59.2339	89.7544000000001	2.4562	311.473872563368
Cond-008742	NPE189	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-9-hydroxy-1,4a-dimethyl-, dimethyl ester, [1R-(1.alpha.,4a.alpha.,9.beta.,9a.alpha.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7235801038	[C@@H]12[C@@](C)(CCC[C@@]1(C)C(=O)OC)c1c(cccc1)C2(O)C(=O)OC	InChI=1S/C19H24O5/c1-17-10-7-11-18(2,15(20)23-3)14(17)19(22,16(21)24-4)13-9-6-5-8-12(13)17/h5-6,8-9,14,22H,7,10-11H2,1-4H3/t14-,17+,18-,19?/m1/s1	C19H24O5	332.391	5	1	72.83	3	4	0	-0.343100000000001	2.19069	3	3.669	61.4563	89.6358	2.5384	319.979630488674
Cond-008743	NPE19	11-(4-methylpiperazinyl)-10H,11H-benzo[f]indano[5,6-b]thiepin	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.3891903221	C[NH+]1CCN(CC1)C1Cc2ccccc2Sc2cc3c(CCC3)cc12	InChI=1S/C22H26N2S/c1-23-9-11-24(12-10-23)20-14-18-5-2-3-8-21(18)25-22-15-17-7-4-6-16(17)13-19(20)22/h2-3,5,8,13,15,20H,4,6-7,9-12,14H2,1H3/p+1	C22H27N2S+	351.528	2	1	32.98	5	1	1	-0.842600000000001	1.79269	3.55	5.212	56.1427	99.3807000000001	2.792	331.487848585402
Cond-008744	NPE190	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a-tetrahydro-1,4a-dimethyl- (1R-cis)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3664676875	C[C@@]12CCC[C@@](C)(C(=O)O)C1=C(C(=O)O)c1c2cccc1	InChI=1S/C17H18O4/c1-16-8-5-9-17(2,15(20)21)13(16)12(14(18)19)10-6-3-4-7-11(10)16/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t16-,17+/m0/s1	C17H18O4	286.322	4	2	74.6	3	2	0	-0.0218	3.12208	2.89	4.515	51.2046	80.1246000000001	2.1549	273.960975835578
Cond-008745	NPE191	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a-tetrahydro-1-methyl- (1R-cis)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	108.889177265	C[C@]1(CCCC2c3c(cccc3)C(=C12)C(=O)O)C(=O)O	InChI=1S/C16H16O4/c1-16(15(19)20)8-4-7-11-9-5-2-3-6-10(9)12(13(11)16)14(17)18/h2-3,5-6,11H,4,7-8H2,1H3,(H,17,18)(H,19,20)/t11?,16-/m1/s1	C16H16O4	272.296	4	2	74.6	3	2	0	-0.2317	2.94798	2.78	4.103	46.4481	75.5136000000001	2.014	256.664991209711
Cond-008746	NPE192	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a-tetrahydro-2-hydroxy-1,4a-dimethyl-, dimethyl ester, [1S-(1.alpha.,2.alpha.,4a.alpha.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	119.231767454	COC(=O)C1=C2[C@@](C)(CC[C@@H](O)[C@@]2(C)C(=O)OC)c2ccccc12	InChI=1S/C19H22O5/c1-18-10-9-13(20)19(2,17(22)24-4)15(18)14(16(21)23-3)11-7-5-6-8-12(11)18/h5-8,13,20H,9-10H2,1-4H3/t13-,18+,19-/m1/s1	C19H22O5	330.375	5	1	72.83	3	4	0	-0.0928999999999993	2.26968	3	4.134	61.8399	90.2748	2.4954	317.343171787874
Cond-008747	NPE193	1H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a-tetrahydro-8-methoxy-1,4a-dimethyl-, dimethyl ester, (1R-cis)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	117.661562419	COC(=O)C1=C2[C@@](C)(CCC[C@@]2(C)C(=O)OC)c2c1c(OC)ccc2	InChI=1S/C20H24O5/c1-19-10-7-11-20(2,18(22)25-5)16(19)15(17(21)24-4)14-12(19)8-6-9-13(14)23-3/h6,8-9H,7,10-11H2,1-5H3/t19-,20+/m0/s1	C20H24O5	344.402	5	0	61.83	3	5	0	0.428399999999998	3.30748	3.11	3.869	68.0586	95.437	2.6363	334.639156413741
Cond-008748	NPE194	1H-Fluorene-1,9-dicarboxylic acid, 7-(acetyloxy)-2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, dimethyl ester, [1R-(1.alpha.,4a.alpha.,9.alpha.,9a.beta.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5154425123	C1(C(=O)OC)c2c(ccc(OC(=O)C)c2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C21H26O6/c1-12(22)27-13-7-8-15-14(11-13)16(18(23)25-4)17-20(15,2)9-6-10-21(17,3)19(24)26-5/h7-8,11,16-17H,6,9-10H2,1-5H3/t16?,17-,20-,21+/m0/s1	C21H26O6	374.428	6	0	78.9	3	6	0	0.1762	3.85388000000001	3.11	4.182	71.9264	102.628	2.8359	360.725367740169
Cond-008749	NPE195	1H-Fluorene-1,9-dicarboxylic acid, dodecahydro-1,4a-dimethyl-7-oxo-, 1,9-dimethyl ester, [1R-(1.alpha.,4a.alpha.,9.beta.,9a.beta.)]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.2566831041	[C@@H]1(C2CC(=O)CCC2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12)C(=O)OC	InChI=1S/C19H28O5/c1-18-8-5-9-19(2,17(22)24-4)15(18)14(16(21)23-3)12-10-11(20)6-7-13(12)18/h12-15H,5-10H2,1-4H3/t12?,13?,14-,15-,18-,19+/m0/s1	C19H28O5	336.423	5	0	69.67	3	4	0	-0.0215999999999975	2.99419	3	2.688	85.4822	90.158	2.6244	336.152547890274
Cond-008750	NPE196	1H-Fluorene-1,9-dicarboxylic acid, dodecahydro-1,4a-dimethyl-7-oxo-, dimethyl ester, [1R-(1.alpha.,4a.alpha.,4b.beta.,8a.beta.,9.alpha.,9a.beta.)]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	119.270698157	C1(C2CC(=O)CCC2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12)C(=O)OC	InChI=1S/C19H28O5/c1-18-8-5-9-19(2,17(22)24-4)15(18)14(16(21)23-3)12-10-11(20)6-7-13(12)18/h12-15H,5-10H2,1-4H3/t12?,13?,14?,15-,18-,19+/m0/s1	C19H28O5	336.423	5	0	69.67	3	4	0	-0.0215999999999975	2.99419	3	2.688	85.4822	90.158	2.6244	336.152547890274
Cond-008751	NPE197	1H-Fluorene-9-carboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-1-hydroxymethyl-7-(1-oxoethyl)-,  .delta.-lactone, [1R-(1.alpha.,4a.alpha.,9.alpha.,9a.beta.)]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	116.805086945	[C@@H]12c3c(ccc(c3)C(=O)C)[C@]3(C)CCC[C@@](C)(COC1=O)[C@@H]23	InChI=1S/C19H22O3/c1-11(20)12-5-6-14-13(9-12)15-16-18(2,10-22-17(15)21)7-4-8-19(14,16)3/h5-6,9,15-16H,4,7-8,10H2,1-3H3/t15-,16+,18-,19-/m0/s1	C19H22O3	298.376	3	0	43.37	4	1	0	-0.0983999999999994	3.84119	3.22	4.603	58.0078	86.1895000000001	2.3124	290.042718386751
Cond-008752	NPE198	1-isobutyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-one hydrazone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8387245097	CC(C)CC12CN3CC(CN(C1)CC3)/C/2=N/N	InChI=1S/C13H24N4/c1-10(2)5-13-8-16-3-4-17(9-13)7-11(6-16)12(13)15-14/h10-11H,3-9,14H2,1-2H3/b15-12-	C13H24N4	236.356	4	2	44.86	2	2	0	-0.225500000000002	0.49229	2.45	0.191	71.2209	70.6954	1.9707	237.685464866534
Cond-008753	NPE199	1-Morpholin-4-ylmethyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.845840605	O=C1N(CN2CCOCC2)c2c(cccc2)/C/1=N/Nc1ccccc1	InChI=1S/C19H20N4O2/c24-19-18(21-20-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23(19)14-22-10-12-25-13-11-22/h1-9,20H,10-14H2/b21-18-	C19H20N4O2	336.388	6	1	57.17	4	4	0	-1.2498	2.27068	2.89	4.556	44.9444	101.8467	2.5239	306.430156416457
Cond-008754	NPE2	10-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]-10H-phenothiazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.2912666823	CCC(Sc1nc2ccccc2s1)C(=O)N1c2ccccc2Sc2ccccc12	InChI=1S/C23H18N2OS3/c1-2-18(28-23-24-15-9-3-6-12-19(15)29-23)22(26)25-16-10-4-7-13-20(16)27-21-14-8-5-11-17(21)25/h3-14,18H,2H2,1H3	C23H18N2OS3	434.597	3	0	112.04	5	5	1	0.7432	7.02885	3.33	6.679	42.9551	119.721	3.0821	358.29158517263
Cond-008755	NPE20	11-[5-[1-Methyl-2-oxo-1,2-dihydro-indol-(3Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-undecanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2962734978	CN1C(=O)/C(=C/2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)/c2ccccc12	InChI=1S/C23H28N2O4S2/c1-24-17-13-10-9-12-16(17)19(21(24)28)20-22(29)25(23(30)31-20)15-11-7-5-3-2-4-6-8-14-18(26)27/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,26,27)/p-1/b20-19-	C23H27N2O4S2-	459.601	6	0	138.14	3	11	1	-2.6325	4.07347	3.11	4.49	87.2286	127.839	3.4194	430.157305370313
Cond-008756	NPE200	1-Naphthalenebutanoic acid, 1,2,3,4-tetrahydro-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	79.8538448763	[O-]C(=O)CCCC1CCCc2ccccc12	InChI=1S/C14H18O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-2,5,9,12H,3-4,6-8,10H2,(H,15,16)/p-1	C14H17O2-	217.284	2	0	40.13	2	4	1	-1.1913	2.26059	2.78	5.366	31.8857	64.222	1.7879	220.803715308856
Cond-008757	NPE201	1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-8-nitro-, methyl ester, (1R,4aS,10aR)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5565690672	[C@@H]12CCc3c(ccc(C(C)C)c3N(=O)=O)[C@@]1(C)CCC[C@@]2(C)C(=O)OC	InChI=1S/C21H29NO4/c1-13(2)14-7-9-16-15(18(14)22(24)25)8-10-17-20(16,3)11-6-12-21(17,4)19(23)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17-,20-,21-/m1/s1	C21H29NO4	359.459	5	0	69.44	3	4	1	1.8125	5.55628000000001	3.22	6.677	72.1307	106.548	2.8613	356.778133248013
Cond-008758	NPE202	1-Piperazin-1-yl-3-(1,3,6-tribromo-carbazol-9-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.1739151067	OC(Cn1c2c(cc(Br)cc2)c2cc(Br)cc(Br)c12)CN1CCNCC1	InChI=1S/C19H20Br3N3O/c20-12-1-2-18-15(7-12)16-8-13(21)9-17(22)19(16)25(18)11-14(26)10-24-5-3-23-4-6-24/h1-2,7-9,14,23,26H,3-6,10-11H2	C19H20Br3N3O	546.094	4	2	40.43	4	4	0	1.8313	4.75329	2.78	3.782	69.129	118.9015	2.9764	338.86694384203
Cond-008759	NPE203	1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-.alpha.-methyl-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6432412213	CC(O)CCC[NH+]1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12	InChI=1S/C23H29ClN2OS/c1-17(27)5-4-10-25-11-13-26(14-12-25)21-15-18-6-2-3-7-22(18)28-23-9-8-19(24)16-20(21)23/h2-3,6-9,16-17,21,27H,4-5,10-15H2,1H3/p+1	C23H30ClN2OS+	418.015	3	2	53.21	4	5	0	-1.0612	2.48859	3.44	4.689	65.8158	112.2235	3.2226	385.141586383063
Cond-008760	NPE204	1-Piperazineethanol, 4-(1,3-benzodioxol-5-ylmethyl)-.alpha.-[(2,6-dimethylphenoxy)methyl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	86.9967737411	Cc1cccc(C)c1OCC(O)C[NH+]1CC[NH+](Cc2ccc3OCOc3c2)CC1	InChI=1S/C23H30N2O4/c1-17-4-3-5-18(2)23(17)27-15-20(26)14-25-10-8-24(9-11-25)13-19-6-7-21-22(12-19)29-16-28-21/h3-7,12,20,26H,8-11,13-16H2,1-2H3/p+2	C23H32N2O4++	400.511	6	3	56.8	4	7	0	-2.4901	-0.0885699999999968	3.33	2.607	59.0433	111.3852	3.1343	379.110404007114
Cond-008761	NPE205	1-Piperazineethanol, 4-(1,3-benzodioxol-5-ylmethyl)-.alpha.-[(3,4-dimethylphenoxy)methyl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.3478748773	Cc1ccc(OCC(O)C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc1C	InChI=1S/C23H30N2O4/c1-17-3-5-21(11-18(17)2)27-15-20(26)14-25-9-7-24(8-10-25)13-19-4-6-22-23(12-19)29-16-28-22/h3-6,11-12,20,26H,7-10,13-16H2,1-2H3/p+2	C23H32N2O4++	400.511	6	3	56.8	4	7	0	-2.4901	-0.143279999999997	3.33	3.029	59.0433	111.1192	3.1343	379.110404007114
Cond-008762	NPE206	1-Piperazineethanol, 4-[2-[(2-chloro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.1195072538	OCC[NH+]1CC[NH+](CCOC2c3ccccc3CSc3ccc(Cl)cc23)CC1	InChI=1S/C22H27ClN2O2S/c23-18-5-6-21-20(15-18)22(19-4-2-1-3-17(19)16-28-21)27-14-12-25-9-7-24(8-10-25)11-13-26/h1-6,15,22,26H,7-14,16H2/p+2	C22H29ClN2O2S++	420.996	4	3	63.64	4	6	0	-2.1133	-0.382099999999999	3.22	3.375	63.4005	106.9202	3.1619	377.954057808158
Cond-008763	NPE207	1-Piperazineethanol, 4-[2-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.8702161482	CC(C)c1ccc2Sc3ccc(F)cc3CC(N3CC[NH+](CCO)CC3)c2c1	InChI=1S/C23H29FN2OS/c1-16(2)17-3-5-23-20(14-17)21(26-9-7-25(8-10-26)11-12-27)15-18-13-19(24)4-6-22(18)28-23/h3-6,13-14,16,21,27H,7-12,15H2,1-2H3/p+1	C23H30FN2OS+	401.561	3	2	53.21	4	4	0	-0.166200000000001	1.59008	3.44	4.776	64.9329	109.5665	3.1179	375.998077462937
Cond-008764	NPE208	1-propa-2-enylthio-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	42.9045681956	C=CCSc1c2CCCCc2c(cn1)C#N	InChI=1S/C13H14N2S/c1-2-7-16-13-12-6-4-3-5-11(12)10(8-14)9-15-13/h2,9H,1,3-7H2	C13H14N2S	230.329	2	0	61.98	2	3	0	0.8932	3.50777	2.56	3.083	44.4055	68.804	1.8282	222.4751337046
Cond-008765	NPE209	1-(p-Tolylamino-methyl)-1H-indole-2,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.633836829	Cc1ccc(NCN2C(=O)C(=O)c3c2cccc3)cc1	InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	C16H14N2O2	266.295	4	1	49.41	3	3	0	-0.6715	2.882	2.78	3.983	25.8235	80.0947	2.0102	244.905140823323
Cond-008766	NPE21	11-[5-(1-methyl-2-oxobenzo[d]azolin-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3164630599	CN1C(=O)/C(=C/2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)/c2c1cccc2	InChI=1S/C23H28N2O4S2/c1-24-17-13-10-9-12-16(17)19(21(24)28)20-22(29)25(23(30)31-20)15-11-7-5-3-2-4-6-8-14-18(26)27/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,26,27)/b20-19-	C23H28N2O4S2	460.609	6	1	135.31	3	11	1	-1.9547	5.40817000000001	3.11	4.971	89.5064	130.4678	3.4409	431.475534720713
Cond-008767	NPE210	(1R,4aR,10aR)-1,4a-Dimethyl-9,10-dioxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8142921937	[C@@H]12C(=O)C(=O)c3c(cccc3)[C@]1(C)CCC[C@@]2(C)C(=O)OC	InChI=1S/C18H20O4/c1-17-9-6-10-18(2,16(21)22-3)15(17)14(20)13(19)11-7-4-5-8-12(11)17/h4-5,7-8,15H,6,9-10H2,1-3H3/t15-,17+,18-/m1/s1	C18H20O4	300.349	4	0	60.44	3	2	0	-0.279899999999998	2.65749	3	3.817	55.1896	83.617	2.2958	291.256960461445
Cond-008768	NPE211	(1R,4aR)-1,4a-Dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluorene-1,9-dicarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.559391221	C[C@@]12CCC[C@](C)(C1C(C(=O)O)c1c2cccc1)C(=O)O	InChI=1S/C17H20O4/c1-16-8-5-9-17(2,15(20)21)13(16)12(14(18)19)10-6-3-4-7-11(10)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t12?,13?,16-,17+/m0/s1	C17H20O4	288.338	4	2	74.6	3	2	0	-0.2446	3.25099	2.89	4.607	50.6721	80.4976000000001	2.1979	276.597434536379
Cond-008769	NPE212	(1R,4aR)-7-Isopropyl-6-methoxy-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9-hexahydro-phenanthrene-1-carboxylic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	27.1347002336	COC(=O)[C@]1(C)CCC[C@@]2(C)C1=CC(=O)c1c2cc(OC)c(c1)C(C)C	InChI=1S/C22H28O4/c1-13(2)14-10-15-16(11-18(14)25-5)21(3)8-7-9-22(4,20(24)26-6)19(21)12-17(15)23/h10-13H,7-9H2,1-6H3/t21-,22-/m1/s1	C22H28O4	356.455	4	0	52.6	3	4	0	0.815199999999998	4.95757000000001	3.44	4.607	76.829	105.635	2.8594	360.440898964913
Cond-008770	NPE213	(1R,4aR,9R,9aS)-7-Acetyl-1,4a-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	110.524266805	[C@H]1(C(=O)OC)c2c(ccc(c2)C(=O)C)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C21H26O5/c1-12(22)13-7-8-15-14(11-13)16(18(23)25-4)17-20(15,2)9-6-10-21(17,3)19(24)26-5/h7-8,11,16-17H,6,9-10H2,1-5H3/t16-,17-,20-,21+/m0/s1	C21H26O5	358.428	5	0	69.67	3	5	0	0.00349999999999838	3.63039	3.22	4.118	70.9807	99.2625	2.7772	351.935141039608
Cond-008771	NPE214	(1R,4aR,9S,9aS)-1,4a-Dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0827926291	[C@@H]1(C(=O)OC)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C19H24O4/c1-18-10-7-11-19(2,17(21)23-4)15(18)14(16(20)22-3)12-8-5-6-9-13(12)18/h5-6,8-9,14-15H,7,10-11H2,1-4H3/t14-,15+,18+,19-/m1/s1	C19H24O4	316.391	4	0	52.6	3	4	1	0.257399999999999	3.42779	3.11	5.249	60.2103	89.258	2.4797	311.189403788112
Cond-008772	NPE215	(1R,4aS)-1,4a-Dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	124.65611212	C[C@@]12CCC[C@@](C)(C(=O)O)C1=C(C(=O)O)c1c2cccc1	InChI=1S/C17H18O4/c1-16-8-5-9-17(2,15(20)21)13(16)12(14(18)19)10-6-3-4-7-11(10)16/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)/t16-,17+/m0/s1	C17H18O4	286.322	4	2	74.6	3	2	0	-0.0218	3.12208	2.89	4.515	51.2046	80.1246000000001	2.1549	273.960975835578
Cond-008773	NPE216	(1R,4aS)-6-Hydroxy-1,4a-dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4895933075	COC(=O)C1=C2[C@@](C)(CCC[C@@]2(C)C(=O)OC)c2c1ccc(O)c2	InChI=1S/C19H22O5/c1-18-8-5-9-19(2,17(22)24-4)15(18)14(16(21)23-3)12-7-6-11(20)10-13(12)18/h6-7,10,20H,5,8-9H2,1-4H3/t18-,19+/m0/s1	C19H22O5	330.375	5	1	72.83	3	4	0	0.019899999999998	3.00448	3	3.139	63.3074	90.5498	2.4954	317.343171787874
Cond-008774	NPE217	(1R,4aS,7S)-7-Hydroxy-1,4a-dimethyl-dodecahydro-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.3205294576	COC(=O)C1C2C[C@@H](O)CCC2[C@]2(C)CCC[C@](C)(C12)C(=O)OC	InChI=1S/C19H30O5/c1-18-8-5-9-19(2,17(22)24-4)15(18)14(16(21)23-3)12-10-11(20)6-7-13(12)18/h11-15,20H,5-10H2,1-4H3/t11-,12?,13?,14?,15?,18-,19+/m0/s1	C19H30O5	338.438	5	1	72.83	3	4	0	-0.370499999999996	2.78599	3	3.097	84.3637	91.1578000000001	2.6674	338.789006591074
Cond-008775	NPE218	(1R,4aS,7S,9S)-1,4a-Dimethyl-dodecahydro-fluorene-1,7,9-tricarboxylic acid 1,9-dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	120.672203478	COC(=O)[C@H]1C2C[C@H](CCC2[C@]2(C)CCC[C@](C)(C12)C(=O)OC)C(=O)O	InChI=1S/C20H30O6/c1-19-8-5-9-20(2,18(24)26-4)15(19)14(17(23)25-3)12-10-11(16(21)22)6-7-13(12)19/h11-15H,5-10H2,1-4H3,(H,21,22)/t11-,12?,13?,14-,15?,19-,20+/m0/s1	C20H30O6	366.449	6	1	89.9	3	5	0	0.106099999999999	3.12589	3	3.39	91.1959	96.2768000000001	2.824	362.238759216702
Cond-008776	NPE219	(1S,2S,4aS)-2-Acetoxy-1,4a-dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	115.273812613	COC(=O)C1=C2[C@@](C)(CC[C@H](OC(=O)C)[C@@]2(C)C(=O)OC)c2c1cccc2	InChI=1S/C21H24O6/c1-12(22)27-15-10-11-20(2)14-9-7-6-8-13(14)16(18(23)25-4)17(20)21(15,3)19(24)26-5/h6-9,15H,10-11H2,1-5H3/t15-,20-,21+/m0/s1	C21H24O6	372.412	6	0	78.9	3	6	0	0.2862	2.84048	3.11	4.445	70.9914	99.822	2.7929	358.088909039369
Cond-008777	NPE22	11-(5-{3-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5105361053	OC(=O)CCCCCCCCCCN1C(=S)S/C(=C/c2cc(ccc2)N(=O)=O)/C1=O	InChI=1S/C21H26N2O5S2/c24-19(25)12-7-5-3-1-2-4-6-8-13-22-20(26)18(30-21(22)29)15-16-10-9-11-17(14-16)23(27)28/h9-11,14-15H,1-8,12-13H2,(H,24,25)/b18-15+	C21H26N2O5S2	450.572	7	1	158.14	2	13	2	-0.5665	5.30168000000001	2.78	6.15	81.4783	126.2188	3.3264	418.030250870341
Cond-008778	NPE220	(1S,2S,4aS)-2-Formyloxy-1,4a-dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.790812354	COC(=O)C1=C2[C@@](C)(CC[C@H](OC=O)[C@@]2(C)C(=O)OC)c2c1cccc2	InChI=1S/C20H22O6/c1-19-10-9-14(26-11-21)20(2,18(23)25-4)16(19)15(17(22)24-3)12-7-5-6-8-13(12)19/h5-8,11,14H,9-10H2,1-4H3/t14-,19-,20+/m0/s1	C20H22O6	358.385	6	0	78.9	3	6	0	0.207400000000001	2.45038	3	4.209	66.9194	95.205	2.652	340.792924413502
Cond-008779	NPE221	(1S,2S,4aS)-2-Hydroxy-1,4a-dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	120.711134181	COC(=O)C1=C2[C@@](C)(CC[C@H](O)[C@@]2(C)C(=O)OC)c2c1cccc2	InChI=1S/C19H22O5/c1-18-10-9-13(20)19(2,17(22)24-4)15(18)14(16(21)23-3)11-7-5-6-8-12(11)18/h5-8,13,20H,9-10H2,1-4H3/t13-,18-,19+/m0/s1	C19H22O5	330.375	5	1	72.83	3	4	0	-0.0928999999999993	2.26968	3	4.134	61.8399	90.2748	2.4954	317.343171787874
Cond-008780	NPE222	(1S,3S,4aS)-3-Bromo-1,4a-dimethyl-2-oxo-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.5035037633	COC(=O)C1=C2[C@@](C)(C[C@H](Br)C(=O)[C@@]2(C)C(=O)OC)c2c1cccc2	InChI=1S/C19H19BrO5/c1-18-9-12(20)15(21)19(2,17(23)25-4)14(18)13(16(22)24-3)10-7-5-6-8-11(10)18/h5-8,12H,9H2,1-4H3/t12-,18-,19-/m0/s1	C19H19BrO5	407.255	5	0	69.67	3	4	0	1.1737	2.85128	2.89	4.066	70.2337	97.373	2.6274	333.99033206464
Cond-008781	NPE223	(1S,4aS)-1-(1,1-Dimethyl-1,2,3,4,9,9a-hexahydro-fluoren-4a-ylmethyl)-1,4a-dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-9-carboxylic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.179340773	COC(=O)C1=C2[C@@](C)(CCC[C@@]2(C)CC23CCCC(C)(C)C2Cc2c3cccc2)c2c1cccc2	InChI=1S/C33H40O2/c1-30(2)16-10-19-33(24-14-8-6-12-22(24)20-26(30)33)21-31(3)17-11-18-32(4)25-15-9-7-13-23(25)27(28(31)32)29(34)35-5/h6-9,12-15,26H,10-11,16-21H2,1-5H3/t26?,31-,32-,33?/m0/s1	C33H40O2	468.669	2	0	26.3	6	4	1	1.4967	7.83638000000001	4.87	13.864	90.7773	144.432	3.8801	479.873982944326
Cond-008782	NPE224	(1S,4aS)-1,4a-Dimethyl-2-oxo-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	106.021282118	COC(=O)C1=C2[C@@](C)(CCC(=O)[C@@]2(C)C(=O)OC)c2c1cccc2	InChI=1S/C19H20O5/c1-18-10-9-13(20)19(2,17(22)24-4)15(18)14(16(21)23-3)11-7-5-6-8-12(11)18/h5-8H,9-10H2,1-4H3/t18-,19+/m0/s1	C19H20O5	328.359	5	0	69.67	3	4	0	0.476799999999998	2.47788	3	3.662	62.861	89.275	2.4524	314.706713087073
Cond-008783	NPE225	2-(10-Cyano-pyrido[1,2-a]indol-3-yloxy)-N-furan-2-ylmethyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	102.980823999	O=C(COc1cc2c(cc1)c(C#N)c1ccccn21)NCc1ccco1	InChI=1S/C20H15N3O3/c21-11-17-16-7-6-14(10-19(16)23-8-2-1-5-18(17)23)26-13-20(24)22-12-15-4-3-9-25-15/h1-10H,12-13H2,(H,22,24)	C20H15N3O3	345.351	6	1	79.67	4	6	0	-1.0853	3.36508	3	2.836	29.0505	99.8997	2.4947	291.810231432318
Cond-008784	NPE226	2-[1-(2-Hydroxy-3-indol-1-yl-propyl)-piperidin-4-ylamino]-cyclohexanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1691742685	OC(Cn1ccc2c1cccc2)CN1CCC(CC1)NC1CCCCC1O	InChI=1S/C22H33N3O2/c26-19(16-25-14-9-17-5-1-3-7-21(17)25)15-24-12-10-18(11-13-24)23-20-6-2-4-8-22(20)27/h1,3,5,7,9,14,18-20,22-23,26-27H,2,4,6,8,10-13,15-16H2	C22H33N3O2	371.516	5	3	60.66	4	6	0	-3.1978	2.76489000000001	3.33	3.043	64.1352	109.8463	3.0188	357.867184889091
Cond-008785	NPE227	2-{1-[3-(3,4-Dimethyl-phenoxy)-2-hydroxy-propyl]-piperidin-4-ylmethyl}-benzo[de]isoquinoline-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2142890541	Cc1ccc(OCC(O)C[NH+]2CCC(Cn3c(=O)c4cccc5cccc(c3=O)c45)CC2)cc1C	InChI=1S/C29H32N2O4/c1-19-9-10-24(15-20(19)2)35-18-23(32)17-30-13-11-21(12-14-30)16-31-28(33)25-7-3-5-22-6-4-8-26(27(22)25)29(31)34/h3-10,15,21,23,32H,11-14,16-18H2,1-2H3/p+1	C29H33N2O4+	473.583	6	2	71.28	5	7	1	-2.4071	2.69582000000001	3.99	5.998	63.1558	137.909	3.6776	447.765788907914
Cond-008786	NPE228	2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)phenyl methyl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3746291356	COc1ccc(cc1CSc1nc2c(s1)cccc2)C1NCCc2c1[nH]c1c2cccc1	InChI=1S/C26H23N3OS2/c1-30-22-11-10-16(14-17(22)15-31-26-29-21-8-4-5-9-23(21)32-26)24-25-19(12-13-27-24)18-6-2-3-7-20(18)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3	C26H23N3OS2	457.61	4	2	103.48	6	5	1	0.516999999999999	5.95787000000001	3.66	6.149	46.7769	132.9557	3.3325	379.410816499997
Cond-008787	NPE229	2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2748578278	C(Sc1nc2c(s1)cccc2)c1nn2cnc3c(c2n1)c1c(CCCCC1)s3	InChI=1S/C20H17N5S3/c1-2-6-12-14(8-3-1)27-19-17(12)18-23-16(24-25(18)11-21-19)10-26-20-22-13-7-4-5-9-15(13)28-20/h4-5,7,9,11H,1-3,6,8,10H2	C20H17N5S3	423.577	5	0	137.75	6	3	1	1.2506	5.73655	2.78	5.081	49.0427	112.483	2.8775	312.620143919769
Cond-008788	NPE23	[1-[(1-Benzyl-piperidin-4-ylcarbamoyl)-methyl]-cyclopentyl]-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4987452057	OC(=O)CC1(CC(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1	InChI=1S/C21H30N2O3/c24-19(14-21(15-20(25)26)10-4-5-11-21)22-18-8-12-23(13-9-18)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,24)(H,25,26)	C21H30N2O3	358.474	5	2	69.64	3	8	0	-2.2044	3.08679	3.22	4.654	68.1894	103.1415	2.9024	358.984666755619
Cond-008789	NPE230	2-(1,3-benzothiazole-2-yl)-4-({[3-(4-morpholinyl)propyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazole-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2845101594	FC(F)(F)c1c(/C=N/CCCN2CCOCC2)c(=O)n([nH]1)c1nc2c(s1)cccc2	InChI=1S/C19H20F3N5O2S/c20-19(21,22)16-13(12-23-6-3-7-26-8-10-29-11-9-26)17(28)27(25-16)18-24-14-4-1-2-5-15(14)30-18/h1-2,4-5,12,25H,3,6-11H2/b23-12+	C19H20F3N5O2S	439.455	7	1	98.3	4	7	0	-0.1588	3.84936	2.34	2.887	76.4619	112.9957	2.8833	356.775075933943
Cond-008790	NPE231	2-(1,3-benzothiazole-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[(pentylamino)methylene]-2,4-dihydro-3H-pyrazole-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.8556222268	CCCCCN/C=C/1\C(=O)N(N=C1CSc1ccc(C)cc1)c1nc2ccccc2s1	InChI=1S/C24H26N4OS2/c1-3-4-7-14-25-15-19-21(16-30-18-12-10-17(2)11-13-18)27-28(23(19)29)24-26-20-8-5-6-9-22(20)31-24/h5-6,8-13,15,25H,3-4,7,14,16H2,1-2H3/b19-15-	C24H26N4OS2	450.619	5	1	111.13	4	9	1	-0.5893	6.00837000000001	3.33	7.673	70.6816	131.0477	3.4107	404.96498355883
Cond-008791	NPE232	2-(1,3-benzothiazole-2-ylsulfanyl)-N'-{3-[(4-chlorobenzyl)oxy]-4-methoxybenzylidene}acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.9670781893	COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1	InChI=1S/C24H20ClN3O3S2/c1-30-20-11-8-17(12-21(20)31-14-16-6-9-18(25)10-7-16)13-26-28-23(29)15-32-24-27-19-4-2-3-5-22(19)33-24/h2-13H,14-15H2,1H3,(H,28,29)/b26-13+	C24H20ClN3O3S2	498.017	6	1	126.35	4	10	1	0.860400000000001	5.41006	3.11	6.578	54.4042	134.8537	3.4647	410.586827120619
Cond-008792	NPE233	2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionic acid 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.184812226	Cc1cc(=O)oc2cc(OC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)ccc12	InChI=1S/C27H19NO6/c1-16-13-24(29)34-23-15-18(11-12-19(16)23)33-27(32)22(14-17-7-3-2-4-8-17)28-25(30)20-9-5-6-10-21(20)26(28)31/h2-13,15,22H,14H2,1H3	C27H19NO6	453.443	7	0	89.98	5	6	1	-0.2277	4.37377	3.66	7.161	47.6801	126.481	3.21990000000001	407.893448695535
Cond-008793	NPE234	2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-(1H-indol-3-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5787871693	[O-]C(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C29H22N2O4/c32-27-25-23-17-8-1-2-9-18(17)24(20-11-4-3-10-19(20)23)26(25)28(33)31(27)22(29(34)35)13-15-14-30-21-12-6-5-7-16(15)21/h1-12,14,22-26,30H,13H2,(H,34,35)/p-1	C29H21N2O4-	461.488	6	1	93.3	5	4	1	-2.4834	2.84488	3.99	6.707	43.5045	129.063	3.28840000000001	401.607036703113
Cond-008794	NPE235	2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-phenylpropanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.0691116707	OC(=O)C(Cc1ccccc1)N1C(=O)C2C(C3c4ccccc4C2c2c3cccc2)C1=O	InChI=1S/C27H21NO4/c29-25-23-21-16-10-4-5-11-17(16)22(19-13-7-6-12-18(19)21)24(23)26(30)28(25)20(27(31)32)14-15-8-2-1-3-9-15/h1-13,20-24H,14H2,(H,31,32)	C27H21NO4	423.46	5	1	74.68	4	4	1	-1.3852	3.77499	3.88	8.589	42.4823	118.3618	3.07990000000001	383.229453995213
Cond-008795	NPE236	2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(5-methyl-3-isoxazolyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9920466728	Cc1cc(NC(=O)CN2C(=O)C3C(C4c5ccccc5C3c3c4cccc3)C2=O)no1	InChI=1S/C24H19N3O4/c1-12-10-17(26-31-12)25-18(28)11-27-23(29)21-19-13-6-2-3-7-14(13)20(22(21)24(27)30)16-9-5-4-8-15(16)19/h2-10,19-22H,11H2,1H3,(H,25,26,28)	C24H19N3O4	413.425	7	1	92.51	4	4	1	-1.6019	3.3147	3.33	5.694	46.4299	113.1037	2.8998	355.971479234746
Cond-008796	NPE237	2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl)ethyl 2-phenylacetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.8915944744	O=C(Cc1ccccc1)OCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C28H23NO4/c30-22(16-17-8-2-1-3-9-17)33-15-14-29-27(31)25-23-18-10-4-5-11-19(18)24(26(25)28(29)32)21-13-7-6-12-20(21)23/h1-13,23-26H,14-16H2	C28H23NO4	437.487	5	0	63.68	4	6	1	-1.0838	3.86499000000001	3.99	8.607	47.3401	122.764	3.22080000000001	400.52543862108
Cond-008797	NPE238	2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5975181456	CC(=O)n1cc(/C=c/2\sc3nc(=O)c4c(sc5c4CCCC5)n3c2=O)c(n1)c1ccc(F)cc1	InChI=1S/C24H17FN4O3S2/c1-12(30)28-11-14(20(27-28)13-6-8-15(25)9-7-13)10-18-22(32)29-23-19(21(31)26-24(29)34-18)16-4-2-3-5-17(16)33-23/h6-11H,2-5H2,1H3/b18-10-	C24H17FN4O3S2	492.545	7	0	138.17	6	3	0	-0.0524000000000018	5.17916	3	4.143	72.4948	133.7845	3.2426	398.627161007058
Cond-008798	NPE239	2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(5-methyl-3-isoxazolyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	40.6462186841	Cc1cc(NC(=O)CN2C(=O)C3C(C2=O)C2(Br)c4ccccc4C3c3ccccc23)no1	InChI=1S/C24H18BrN3O4/c1-12-10-17(27-32-12)26-18(29)11-28-22(30)20-19-13-6-2-4-8-15(13)24(25,21(20)23(28)31)16-9-5-3-7-14(16)19/h2-10,19-21H,11H2,1H3,(H,26,27,29)	C24H18BrN3O4	492.321	7	1	92.51	4	4	1	-0.996500000000001	3.2642	3.22	5.145	53.6077	120.1837	3.0748	375.255098212313
Cond-008799	NPE24	[1,1'-Biphenyl]-4-butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.3297506347	[O-]C(=O)CCCc1ccc(cc1)c1ccccc1	InChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)/p-1	C16H15O2-	239.289	2	0	40.13	2	5	1	-1.1084	2.70849	3	6.967	17.2677	73.95	1.9407	236.586308458189
Cond-008800	NPE240	2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.528188529	O=C(CSc1nc2ccccc2[nH]1)Nc1nc(c(s1)c1ccccc1)c1ccccc1	InChI=1S/C24H18N4OS2/c29-20(15-30-23-25-18-13-7-8-14-19(18)26-23)27-24-28-21(16-9-3-1-4-10-16)22(31-24)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)(H,27,28,29)	C24H18N4OS2	442.556	5	2	124.21	5	7	1	-0.0758000000000001	6.77655	3.33	7.725	30.8905	131.8537	3.1731	362.89914875563
Cond-008801	NPE241	2-(1H-Benzoimidazol-2-ylsulfanyl)-1-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	22.976724322	O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2CCc2ccccc12	InChI=1S/C23H19N3OS/c27-22(15-28-23-24-18-9-3-4-10-19(18)25-23)26-20-11-5-1-7-16(20)13-14-17-8-2-6-12-21(17)26/h1-12H,13-15H2,(H,24,25)	C23H19N3OS	385.481	4	1	74.29	5	4	1	-0.5416	5.23586	3.44	6.499	32.8278	115.048	2.8549	332.270297265596
Cond-008802	NPE242	2-(1H-Benzoimidazol-2-ylsulfanyl)-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8823166536	O=C(CSc1nc2ccccc2[nH]1)N1CCn2c3ccc(cc3c3c2C1CCC3)C1CCCCC1	InChI=1S/C29H32N4OS/c34-27(18-35-29-30-23-10-4-5-11-24(23)31-29)32-15-16-33-25-14-13-20(19-7-2-1-3-8-19)17-22(25)21-9-6-12-26(32)28(21)33/h4-5,10-11,13-14,17,19,26H,1-3,6-9,12,15-16,18H2,(H,30,31)	C29H32N4OS	484.656	5	1	79.22	7	5	1	-1.8529	6.23156000000001	3.99	7.229	69.9471	142.605	3.6689	427.602965228964
Cond-008803	NPE243	2-(1H-benzoimidazole-2-ylsulfanyl)-N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3436788744	O=C(CSc1nc2ccccc2[nH]1)Nc1cc2c(cc1)C(=O)c1ccccc1C2=O	InChI=1S/C23H15N3O3S/c27-20(12-30-23-25-18-7-3-4-8-19(18)26-23)24-13-9-10-16-17(11-13)22(29)15-6-2-1-5-14(15)21(16)28/h1-11H,12H2,(H,24,27)(H,25,26)	C23H15N3O3S	413.448	6	2	117.22	5	5	0	-1.194	4.25946	3.22	4.575	33.789	115.8077	2.8863	344.577833265118
Cond-008804	NPE244	2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.5586526715	O=C(CN1C(=O)c2ccccc2C1=O)N1c2c(CCc3c1cccc3)cccc2	InChI=1S/C24H18N2O3/c27-22(15-25-23(28)18-9-3-4-10-19(18)24(25)29)26-20-11-5-1-7-16(20)13-14-17-8-2-6-12-21(17)26/h1-12H,13-15H2	C24H18N2O3	382.411	5	0	57.69	5	3	1	-1.4701	4.24158	3.55	5.858	34.1173	112.6925	2.8069	345.904492326019
Cond-008805	NPE245	2-[2-(1,2,4-Triazolo[3,4-b]benzothiazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.8580570099	O=C1N(CCSc2nnc3sc4ccccc4n23)C(=O)c2ccccc12	InChI=1S/C18H12N4O2S2/c23-15-11-5-1-2-6-12(11)16(24)21(15)9-10-25-17-19-20-18-22(17)13-7-3-4-8-14(13)26-18/h1-8H,9-10H2	C18H12N4O2S2	380.443	6	0	121.11	5	4	0	0.4593	3.54416	2.56	4.39	40.2924	101.6585	2.5154	286.72284380339
Cond-008806	NPE246	2-{2-[1-(2-furylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethylthio}-5,6-dimethyl-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5791871308	Cc1cc(C(=O)CSc2nc3c(c(C)c(C)s3)c(=O)n2CC=C)c(C)n1Cc1ccco1	InChI=1S/C24H25N3O3S2/c1-6-9-26-23(29)21-15(3)17(5)32-22(21)25-24(26)31-13-20(28)19-11-14(2)27(16(19)4)12-18-8-7-10-30-18/h6-8,10-11H,1,9,12-13H2,2-5H3	C24H25N3O3S2	467.604	6	0	121.35	4	8	0	3.1842	4.17996	3.22	4.062	85.9245	127.1745	3.4283	411.548676751786
Cond-008807	NPE247	{2-[2-({[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)carbohydrazonoyl]phenoxy}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3091055448	Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)[O-])nc3ccccc23)cc1	InChI=1S/C26H24N4O4S/c1-18-10-12-19(13-11-18)15-30-22-8-4-3-7-21(22)28-26(30)35-17-24(31)29-27-14-20-6-2-5-9-23(20)34-16-25(32)33/h2-14H,15-17H2,1H3,(H,29,31)(H,32,33)/p-1/b27-14+	C26H23N4O4S-	487.55	8	1	133.94	4	11	2	-0.8869	3.32898	3.33	6.821	51.5829	134.6047	3.5546	427.291003401847
Cond-008808	NPE248	2-{[2-(1-azepanyl)ethyl]sulfanyl}-4-(2-methoxyphenyl)-6-phenylnicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	50.1466350445	COc1ccccc1c1cc(nc(SCCN2CCCCCC2)c1C#N)c1ccccc1	InChI=1S/C27H29N3OS/c1-31-26-14-8-7-13-22(26)23-19-25(21-11-5-4-6-12-21)29-27(24(23)20-28)32-18-17-30-15-9-2-3-10-16-30/h4-8,11-14,19H,2-3,9-10,15-18H2,1H3	C27H29N3OS	443.604	4	0	74.45	4	7	1	-0.5189	6.83218000000001	3.88	7.223	54.7011	136.335	3.5271	424.710694469864
Cond-008809	NPE249	2-(2-{(1E)-2-[2-(1-ethylbenzimidazol-2-ylthio)acetylamino]-2-azavinyl}phenoxy)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0556844548	CCn1c(SCC(=O)N/N=C/c2c(OCC(=O)O)cccc2)nc2c1cccc2	InChI=1S/C20H20N4O4S/c1-2-24-16-9-5-4-8-15(16)22-20(24)29-13-18(25)23-21-11-14-7-3-6-10-17(14)28-12-19(26)27/h3-11H,2,12-13H2,1H3,(H,23,25)(H,26,27)/b21-11+	C20H20N4O4S	412.462	8	2	131.11	3	10	0	-0.509999999999999	3.74015	2.67	4.494	53.6369	114.4785	2.9683	355.999159800246
Cond-008810	NPE25	1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1231668598	O=C1NS(=O)(=O)c2ccccc12	InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)	C7H5NO3S	183.185	4	1	71.62	2	0	0	-1.06	0.60098	1.68	0.684	16.0831	39.8117	1.1451	139.346063244517
Cond-008811	NPE250	2-{2-[(1E)-2-(2-benzimidazol-2-ylthioacetylamino)-2-azavinyl]phenoxy}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8813864293	OC(=O)COc1c(/C=N/NC(=O)CSc2nc3c([nH]2)cccc3)cccc1	InChI=1S/C18H16N4O4S/c23-16(11-27-18-20-13-6-2-3-7-14(13)21-18)22-19-9-12-5-1-4-8-15(12)26-10-17(24)25/h1-9H,10-11H2,(H,20,21)(H,22,23)(H,24,25)/b19-9+	C18H16N4O4S	384.409	8	3	141.97	3	9	0	-1.2963	2.35976	2.45	3.832	44.0484	104.5565	2.6865	321.407190548513
Cond-008812	NPE251	2-{2-[(1E)-2-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonylamino)-2-azavinyl]phenoxy}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5297885971	[O-]C(=O)COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc21	InChI=1S/C21H18N4O4/c26-18(27)12-29-17-8-4-2-6-14(17)11-22-25-21(28)20-16-10-9-13-5-1-3-7-15(13)19(16)23-24-20/h1-8,11H,9-10,12H2,(H,23,24)(H,25,28)(H,26,27)/p-1/b22-11+	C21H17N4O4-	389.384	8	2	119.5	4	7	1	-2.2381	1.77427	2.89	5.506	39.1459	111.0972	2.7726	338.474973616513
Cond-008813	NPE252	{2-[2-(1-methylpropylidene)hydrazino]-4-oxo-4,5-dihydro-1,3-thiazole-5-yl}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8457006593	CC/C(=N/N=C/1\NC(=O)C(CC(=O)[O-])S1)/C	InChI=1S/C9H13N3O3S/c1-3-5(2)11-12-9-10-8(15)6(16-9)4-7(13)14/h6H,3-4H2,1-2H3,(H,13,14)(H,10,12,15)/p-1/b11-5+	C9H12N3O3S-	242.275	6	1	119.25	1	4	0	-0.540600000000001	-0.36852	1.68	-0.0400000000000005	56.7236	64.0387	1.7136	217.869782262984
Cond-008814	NPE253	2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7239663547	COc1ccc(cc1OC)c1c(CC[NH3+])c2ccccc2[nH]1	InChI=1S/C18H20N2O2/c1-21-16-8-7-12(11-17(16)22-2)18-14(9-10-19)13-5-3-4-6-15(13)20-18/h3-8,11,20H,9-10,19H2,1-2H3/p+1	C18H21N2O2+	297.372	4	4	61.89	3	5	0	-1.7007	3.10898	3	3.716	27.0956	92.7161	2.3565	272.551798126257
Cond-008815	NPE254	2-[2-[3-Allyl-5-(4-fluoro-phenyl)-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-ethyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.6276905177	Fc1ccc(cc1)c1csc2c1c(=O)n(CC=C)c(SCCN1C(=O)c3ccccc3C1=O)n2	InChI=1S/C25H18FN3O3S2/c1-2-11-29-24(32)20-19(15-7-9-16(26)10-8-15)14-34-21(20)27-25(29)33-13-12-28-22(30)17-5-3-4-6-18(17)23(28)31/h2-10,14H,1,11-13H2	C25H18FN3O3S2	491.557	6	0	123.59	5	7	1	1.5632	5.05357	3.22	5.424	66.7675	136.759	3.3493	414.646385424758
Cond-008816	NPE255	2-[(2,3-dimethylthieno[2,3-d]pyrimidine-4-yl)sulfanyl]-N'-[(4-ethylphenoxy)acetyl]acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3925787985	CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3c2c(C)c(C)s3)cc1	InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)	C20H22N4O3S2	430.544	7	2	146.75	3	10	0	0.742300000000001	2.76821	2.67	3.887	62.7982	112.1004	3.1161	368.354415858085
Cond-008817	NPE256	2-{2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9657452903	O=C(N1CCN(CCn2c(=O)c3cccc4cccc(c2=O)c34)CC1)c1ccc2OCOc2c1	InChI=1S/C26H23N3O5/c30-24(18-7-8-21-22(15-18)34-16-33-21)28-12-9-27(10-13-28)11-14-29-25(31)19-5-1-3-17-4-2-6-20(23(17)19)26(29)32/h1-8,15H,9-14,16H2	C26H23N3O5	457.478	8	0	79.39	6	5	0	-1.613	3.09168	3.44	3.676	58.4678	129.306	3.2403	399.353675187041
Cond-008818	NPE257	2-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4071353888	O=C(Cn1c(=O)c2cccc3cccc(c1=O)c23)N1CCN(Cc2cc3c(OCO3)cc2)CC1	InChI=1S/C26H23N3O5/c30-23(15-29-25(31)19-5-1-3-18-4-2-6-20(24(18)19)26(29)32)28-11-9-27(10-12-28)14-17-7-8-21-22(13-17)34-16-33-21/h1-8,13H,9-12,14-16H2	C26H23N3O5	457.478	8	0	79.39	6	5	0	-1.8264	2.63858	3.44	3.51	58.3176	128.0635	3.2403	399.353675187041
Cond-008819	NPE258	2-(2-{4-[2-(4-chlorophenyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9704485353	Clc1ccc(cc1)C(=O)CN1CCN(CCn2c(=O)c3cccc4cccc(c2=O)c34)CC1	InChI=1S/C26H24ClN3O3/c27-20-9-7-18(8-10-20)23(31)17-29-13-11-28(12-14-29)15-16-30-25(32)21-5-1-3-19-4-2-6-22(24(19)21)26(30)33/h1-10H,11-17H2	C26H24ClN3O3	461.94	6	0	60.93	5	6	0	-0.383600000000001	3.55809	3.55	4.591	61.9758	130.999	3.3539	409.340748257152
Cond-008820	NPE259	2-(2-{4-[2-(4-fluorophenyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.8712245376	Fc1ccc(cc1)C(=O)C[NH+]1CC[NH+](CCn2c(=O)c3cccc4cccc(c2=O)c34)CC1	InChI=1S/C26H24FN3O3/c27-20-9-7-18(8-10-20)23(31)17-29-13-11-28(12-14-29)15-16-30-25(32)21-5-1-3-19-4-2-6-22(24(19)21)26(30)33/h1-10H,11-17H2/p+2	C26H26FN3O3++	447.501	6	2	63.33	5	6	0	-3.5624	0.209590000000002	3.55	4.136	51.4367	124.1944	3.2922	402.833698037826
Cond-008821	NPE26	1-(1H-1,2,3-benzotriazol-1-yl)-3-(10H-phenothiazin-10-yl)-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.913420115	OC(Cn1nnc2ccccc12)CN1c2ccccc2Sc2ccccc12	InChI=1S/C21H18N4OS/c26-15(14-25-17-8-2-1-7-16(17)22-23-25)13-24-18-9-3-5-11-20(18)27-21-12-6-4-10-19(21)24/h1-12,15,26H,13-14H2	C21H18N4OS	374.459	5	1	79.48	5	4	0	0.1295	4.86566	3.11	4.801	28.9764	105.7058	2.7159	311.31154692283
Cond-008822	NPE260	2-(2-{4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.555899681	COc1ccc(cc1)C(=O)CN1CCN(CCn2c(=O)c3cccc4cccc(c2=O)c34)CC1	InChI=1S/C27H27N3O4/c1-34-21-10-8-19(9-11-21)24(31)18-29-14-12-28(13-15-29)16-17-30-26(32)22-6-2-4-20-5-3-7-23(25(20)22)27(30)33/h2-11H,12-18H2,1H3	C27H27N3O4	457.521	7	0	70.16	5	7	0	-1.1797	2.91329	3.66	4.051	63.676	132.541	3.4311	420.215891813147
Cond-008823	NPE261	2-(2-{4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5621634278	Cc1ccc(OCC(O)C[NH+]2CC[NH+](CCn3c(=O)c4cccc5cccc(c3=O)c45)CC2)c(C)c1	InChI=1S/C29H33N3O4/c1-20-9-10-26(21(2)17-20)36-19-23(33)18-31-13-11-30(12-14-31)15-16-32-28(34)24-7-3-5-22-6-4-8-25(27(22)24)29(32)35/h3-10,17,23,33H,11-16,18-19H2,1-2H3/p+2	C29H35N3O4++	489.606	7	3	75.72	5	8	0	-2.9341	0.239030000000004	3.88	4.533	68.6664	141.0147	3.7989	460.080778466481
Cond-008824	NPE262	2-(2-{4-[3-(4-methoxyphenyl)acryloyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.6863051021	COc1ccc(/C=C/C(=O)N2CC[NH+](CCn3c(=O)c4cccc5cccc(c3=O)c45)CC2)cc1	InChI=1S/C28H27N3O4/c1-35-22-11-8-20(9-12-22)10-13-25(32)30-17-14-29(15-18-30)16-19-31-27(33)23-6-2-4-21-5-3-7-24(26(21)23)28(31)34/h2-13H,14-19H2,1H3/p+1/b13-10+	C28H28N3O4+	470.54	7	1	71.36	5	7	0	-2.4581	1.93608	3.77	4.85	65.657	135.6677	3.5505	436.193647088614
Cond-008825	NPE263	2-{[(2-{4-[(4-chlorophenyl)acetyl]-1-piperazinyl}ethyl)amino]methylene}-5,5-dimethyl-1,3-cyclohexanedione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0938455526	CC1(C)CC(=O)C(=CNCCN2CCN(CC2)C(=O)Cc2ccc(Cl)cc2)C(=O)C1	InChI=1S/C23H30ClN3O3/c1-23(2)14-20(28)19(21(29)15-23)16-25-7-8-26-9-11-27(12-10-26)22(30)13-17-3-5-18(24)6-4-17/h3-6,16,25H,7-15H2,1-2H3	C23H30ClN3O3	431.956	6	1	69.72	3	7	0	0.0140999999999993	2.61848	3.22	3.25	93.8328	120.2637	3.3204	414.511546584352
Cond-008826	NPE264	2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0738822311	Cc1cc(=O)nc([nH]1)SCCOc1ccc(Cl)cc1	InChI=1S/C13H13ClN2O2S/c1-9-8-12(17)16-13(15-9)19-7-6-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)	C13H13ClN2O2S	296.773	4	1	75.99	2	5	0	0.829899999999999	3.40016	2.23	3.496	53.1975	84.5887	2.068	255.266654876156
Cond-008827	NPE265	(2-[[2-(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl]-phenoxy)-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.250485345	CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)[O-])nnc1c1ccccc1	InChI=1S/C21H21N5O4S/c1-2-26-20(15-8-4-3-5-9-15)24-25-21(26)31-14-18(27)23-22-12-16-10-6-7-11-17(16)30-13-19(28)29/h3-12H,2,13-14H2,1H3,(H,23,27)(H,28,29)/p-1/b22-12+	C21H20N5O4S-	438.48	9	1	146.83	3	11	2	-1.1878	2.36265	2.67	5.227	51.3591	118.4587	3.1445	380.33721658308
Cond-008828	NPE266	2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.118975791	O=c1[nH]c(SCCn2c(=O)c3cccc4cccc(c2=O)c34)nc2c1c1c(CCCC1)s2	InChI=1S/C24H19N3O3S2/c28-20-19-14-7-1-2-10-17(14)32-21(19)26-24(25-20)31-12-11-27-22(29)15-8-3-5-13-6-4-9-16(18(13)15)23(27)30/h3-6,8-9H,1-2,7,10-12H2,(H,25,26,28)	C24H19N3O3S2	461.556	6	1	132.38	6	4	1	0.1064	4.40648	3.22	5.22	66.176	131.1317	3.1681	384.199300649385
Cond-008829	NPE267	2-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6357132838	NC(=O)c1c(NC(=O)CSc2nc3c(c4c(CCC4)s3)c(=O)n2CC=C)sc2c1CCC2	InChI=1S/C22H22N4O3S3/c1-2-9-26-21(29)17-12-6-4-8-14(12)32-20(17)25-22(26)30-10-15(27)24-19-16(18(23)28)11-5-3-7-13(11)31-19/h2H,1,3-10H2,(H2,23,28)(H,24,27)	C22H22N4O3S3	486.63	7	3	186.64	5	8	0	0.997800000000001	3.13696	2.78	2.186	95.7837	130.7406	3.3442	407.642491765819
Cond-008830	NPE268	2-[2-(5-purin-6-ylthiopentanoylamino)acetylamino]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5424972773	[O-]C(=O)CNC(=O)CNC(=O)CCCCSc1c2nc[nH]c2ncn1	InChI=1S/C14H18N6O4S/c21-9(15-5-10(22)16-6-11(23)24)3-1-2-4-25-14-12-13(18-7-17-12)19-8-20-14/h7-8H,1-6H2,(H,15,21)(H,16,22)(H,23,24)(H,17,18,19,20)/p-1	C14H17N6O4S-	365.388	10	3	178.09	2	12	1	-2.9502	-1.81213	1.79	-1.328	55.1266	87.6534	2.5386	304.064377914179
Cond-008831	NPE269	2-[2-(8-methoxy-2-oxo-2H-chromene-3-yl)-2-oxoethyl]isoquinolinium	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.1143079133	COc1c2oc(=O)c(cc2ccc1)C(=O)C[n+]1cc2ccccc2cc1	InChI=1S/C21H16NO4/c1-25-19-8-4-7-15-11-17(21(24)26-20(15)19)18(23)13-22-10-9-14-5-2-3-6-16(14)12-22/h2-12H,13H2,1H3/q+1	C21H16NO4+	346.356	5	0	56.48	4	4	0	-1.7802	3.25957	3.22	4.5	32.614	99.998	2.5162	308.121151692813
Cond-008832	NPE27	1,1'-(N,N'-HEXAMETHYLENEBIS(2-CARBAMOYLETHYL))BIS(PYRIDINIUM  CHLORIDE)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8679464805	O=C(CC[n+]1ccccc1)NCCCCCCNC(=O)CC[n+]1ccccc1	InChI=1S/C22H30N4O2/c27-21(11-19-25-15-7-3-8-16-25)23-13-5-1-2-6-14-24-22(28)12-20-26-17-9-4-10-18-26/h3-4,7-10,15-18H,1-2,5-6,11-14,19-20H2/p+2	C22H32N4O2++	384.515	6	2	65.96	2	15	1	-5.1934	1.76869	3.22	2.936	54.4766	110.2384	3.2068	385.667486396458
Cond-008833	NPE270	2,2a,8a-Triazacyclopent[cd]azulene, 5,6,7,8-tetrahydro-4-phenyl-1-[(5-phenyl-2H-tetrazol-2-yl)methyl]- (9CI)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4838770775	C(n1nnc(n1)c1ccccc1)c1nn2cc(c3c2n1CCCC3)c1ccccc1	InChI=1S/C23H21N7/c1-3-9-17(10-4-1)20-15-29-23-19(20)13-7-8-14-28(23)21(25-29)16-30-26-22(24-27-30)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2	C23H21N7	395.46	7	0	65.83	6	4	1	-0.4508	5.42557	3.22	7.045	28.807	119.088	2.9233	325.701628639302
Cond-008834	NPE271	2-(2-amino-3-methylbutanoylamino)-3-(4-hydroxyphenyl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.082928563	CC(C)C([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)	C14H20N2O4	280.32	6	5	117.1	1	7	0	-3.1355	-1.33021	2.34	0.995	40.7264	73.5056	2.192	271.415918476712
Cond-008835	NPE272	2-(2'-Benzothiazolyl)-5-styryl-3-(4'phthalhydrazidyl)tetrazolium chloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.0001018901	[Cl-].O=c1[nH][nH]c(=O)c2cc(ccc12)[n+]1nc(/C=C/c2ccccc2)nn1c1nc2c(s1)cccc2	InChI=1S/C24H15N7O2S.ClH/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24;/h1-14H,(H,28,29);1H/b13-10+;	C24H16ClN7O2S	501.948	9	2	133.62	6	4	1	-1.6419	3.65305	3	7.309	35.8931	131.5459	3.19460000000001	369.859485271091
Cond-008836	NPE273	2-[(2-bromo-3-thienyl)methyl]succinic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.364937725	[O-]C(=O)CC(Cc1c(Br)scc1)C(=O)[O-]	InChI=1S/C9H9BrO4S/c10-8-5(1-2-15-8)3-6(9(13)14)4-7(11)12/h1-2,6H,3-4H2,(H,11,12)(H,13,14)/p-2	C9H7BrO4S--	291.118	4	0	108.5	1	5	0	-0.2881	-1.24331	1.79	0.588	39.5207	57.087	1.6264	200.735117966211
Cond-008837	NPE274	2-(2-bromo-4,5-dimethoxybenzyl)-1H-benzoimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2342076963	COc1c(OC)cc(Cc2nc3ccccc3[nH]2)c(Br)c1	InChI=1S/C16H15BrN2O2/c1-20-14-7-10(11(17)9-15(14)21-2)8-16-18-12-5-3-4-6-13(12)19-16/h3-7,9H,8H2,1-2H3,(H,18,19)	C16H15BrN2O2	347.207	4	1	47.14	3	4	0	0.4272	4.12899	2.67	3.981	31.3961	87.905	2.2282	255.92521850169
Cond-008838	NPE275	2-[2-(diethylamino)ethoxy]-7-methoxy-11-hydropyridazino[6,1-b]quinazolin-10-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.272479564	CC[NH+](CC)CCOc1nn2c(=O)c3c(cc(OC)cc3)nc2cc1	InChI=1S/C18H22N4O3/c1-4-21(5-2)10-11-25-17-9-8-16-19-15-12-13(24-3)6-7-14(15)18(23)22(16)20-17/h6-9,12H,4-5,10-11H2,1-3H3/p+1	C18H23N4O3+	343.4	7	1	67.93	3	7	0	-1.0457	0.797870000000002	2.67	2.43	68.0785	99.2637	2.6148	325.135545243152
Cond-008839	NPE276	2,2-dimethyl-5-[5-(4-nitrophenyl)(2-furyl)]-1,2,3,5,6-pentahydrobenzo[a]phenanthridin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4734182521	CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(o2)c2ccc(cc2)N(=O)=O)ccc2ccccc12	InChI=1S/C29H24N2O4/c1-29(2)15-21-26-20-6-4-3-5-17(20)9-12-22(26)30-28(27(21)23(32)16-29)25-14-13-24(35-25)18-7-10-19(11-8-18)31(33)34/h3-14,28,30H,15-16H2,1-2H3	C29H24N2O4	464.512	6	1	85.38	6	3	1	1.2532	6.86107000000001	3.99	8.195	48.2063	142.3757	3.41850000000001	415.281724754313
Cond-008840	NPE277	2,2-Dimethyl-propionic acid (2S,3R)-3-((4S,5R)-5-ethyl-4-methyl-2-phenyl-[1,3]dioxolan-4-yl)-3-hydroxy-2-methyl-propyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.5538477045	CC[C@H]1OC(O[C@@]1(C)[C@H](O)[C@@H](C)COC(=O)C(C)(C)C)c1ccccc1	InChI=1S/C21H32O5/c1-7-16-21(6,26-18(25-16)15-11-9-8-10-12-15)17(22)14(2)13-24-19(23)20(3,4)5/h8-12,14,16-18,22H,7,13H2,1-6H3/t14-,16+,17+,18?,21+/m0/s1	C21H32O5	364.476	5	1	64.99	2	8	0	0.790899999999998	3.74839	3.22	4.735	71.2879	101.8868	2.9718	369.564517142008
Cond-008841	NPE278	2,2-Dimethyl-propionic acid (2S,3R,4R,5R)-3,4,5-trihydroxy-2,4-dimethyl-heptyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7516504561	CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)COC(=O)C(C)(C)C	InChI=1S/C14H28O5/c1-7-10(15)14(6,18)11(16)9(2)8-19-12(17)13(3,4)5/h9-11,15-16,18H,7-8H2,1-6H3/t9-,10+,11+,14+/m0/s1	C14H28O5	276.369	5	3	86.99	0	8	0	0.0462999999999981	1.32849	2.45	0.825	70.0014	75.7494000000001	2.3317	292.014918264939
Cond-008842	NPE279	2,2-Dimethyl-propionic acid (S)-2-((4R,5S)-2,2,5-trimethyl-5-propionyl-[1,3]dioxolan-4-yl)-propyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.028876682	CCC(=O)[C@@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)COC(=O)C(C)(C)C	InChI=1S/C17H30O5/c1-9-12(18)17(8)13(21-16(6,7)22-17)11(2)10-20-14(19)15(3,4)5/h11,13H,9-10H2,1-8H3/t11-,13+,17+/m0/s1	C17H30O5	314.417	5	0	61.83	1	7	0	1.351	3.33499	2.78	2.217	83.2295	86.561	2.6028	328.90995474094
Cond-008843	NPE28	1-{2-[2-(4-chlorophenyl)-2-oxoethylthio]pyrimidin-4-yl}-3-methylthio-5,6,7-trihydrobenzo[2,1-c]thiophen-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0899191595	CSc1c2c(CCCC2=O)c(s1)c1nc(SCC(=O)c2ccc(Cl)cc2)ncc1	InChI=1S/C21H17ClN2O2S3/c1-27-20-18-14(3-2-4-16(18)25)19(29-20)15-9-10-23-21(24-15)28-11-17(26)12-5-7-13(22)8-6-12/h5-10H,2-4,11H2,1H3	C21H17ClN2O2S3	461.02	4	0	138.76	4	6	0	1.6982	4.98187	2.89	4.413	62.273	117.0105	3.133	373.593827793491
Cond-008844	NPE280	2,2-Dimethyl-propionic acid (S)-2-((4R,5S)-5-formyl-2,2,5-trimethyl-[1,3]dioxolan-4-yl)-propyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.8611097112	C[C@@H](COC(=O)C(C)(C)C)[C@H]1OC(C)(C)O[C@]1(C)C=O	InChI=1S/C15H26O5/c1-10(8-18-12(17)13(2,3)4)11-15(7,9-16)20-14(5,6)19-11/h9-11H,8H2,1-7H3/t10-,11+,15+/m0/s1	C15H26O5	286.364	5	0	61.83	1	6	0	1.3363	2.55479	2.56	2.113	73.7295	77.327	2.321	294.317985489206
Cond-008845	NPE281	2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene)diphosphonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1862304086	[O-]P(=O)([O-])c1c(OCCOc2c(cccc2)P(=O)([O-])[O-])cccc1	InChI=1S/C14H16O8P2/c15-23(16,17)13-7-3-1-5-11(13)21-9-10-22-12-6-2-4-8-14(12)24(18,19)20/h1-8H,9-10H2,(H2,15,16,17)(H2,18,19,20)/p-4	C14H12O8P2----	370.188	8	0	164.46	2	7	0	-4.4682	-3.03672	1.9	0.102	26.1096	70.5055	2.3988	293.071976875423
Cond-008846	NPE282	2-(2-hydroxy-3-morpholin-4-ylpropylthio)-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.3161451559	Cc1ccc(cc1)c1cc(nc(SCC(O)CN2CCOCC2)c1C#N)c1ccccc1	InChI=1S/C26H27N3O2S/c1-19-7-9-20(10-8-19)23-15-25(21-5-3-2-4-6-21)28-26(24(23)16-27)32-18-22(30)17-29-11-13-31-14-12-29/h2-10,15,22,30H,11-14,17-18H2,1H3	C26H27N3O2S	445.576	5	1	94.68	4	7	1	0.685300000000001	4.66870000000001	3.66	6.751	58.247	131.7808	3.4449	416.204936544558
Cond-008847	NPE283	2-[(2-hydroxyethyl)amino]-3-methyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	39.6705174304	Cn1c(=O)c2c(nc1NCCO)c1ccccc1CC12CCCCC1	InChI=1S/C20H25N3O2/c1-23-18(25)16-17(22-19(23)21-11-12-24)15-8-4-3-7-14(15)13-20(16)9-5-2-6-10-20/h3-4,7-8,24H,2,5-6,9-13H2,1H3,(H,21,22)	C20H25N3O2	339.431	5	2	64.93	4	3	0	-1.7552	2.26307	3.11	4.239	67.9402	100.8735	2.651	328.902298235758
Cond-008848	NPE284	2-(2-isoquinolyl)-1-(2-(2-isoquinolyl)ethoxy)ethane	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3069541524	C(C[n+]1cc2ccccc2cc1)OCC[n+]1cc2ccccc2cc1	InChI=1S/C22H22N2O/c1-3-7-21-17-23(11-9-19(21)5-1)13-15-25-16-14-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2/q+2	C22H22N2O++	330.423	3	0	16.99	4	6	1	-2.9955	3.2848	3.55	5.984	20.4679	99.1050000000001	2.6453	303.097904476363
Cond-008849	NPE285	2-{2-Methoxy-4-[(9H-1,3,4,9-tetraaza-fluoren-2-yl)-hydrazonomethyl]-phenoxy}-ethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7764443525	COc1cc(/C=N/Nc2nc3c(nn2)c2ccccc2[nH]3)ccc1OCCO	InChI=1S/C19H18N6O3/c1-27-16-10-12(6-7-15(16)28-9-8-26)11-20-24-19-22-18-17(23-25-19)13-4-2-3-5-14(13)21-18/h2-7,10-11,26H,8-9H2,1H3,(H2,21,22,24,25)/b20-11+	C19H18N6O3	378.385	9	3	117.54	4	7	0	-1.518	3.05876	2.56	3.897	35.0749	111.3715	2.6962	310.140986131752
Cond-008850	NPE286	2-((2-morpholin-4-yl-2-oxoethyl)sulfanyl)-4,6-diphenylpyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0748221253	O=C(CSc1c(C#N)c(cc(n1)c1ccccc1)c1ccccc1)N1CCOCC1	InChI=1S/C24H21N3O2S/c25-16-21-20(18-7-3-1-4-8-18)15-22(19-9-5-2-6-10-19)26-24(21)30-17-23(28)27-11-13-29-14-12-27/h1-10,15H,11-14,17H2	C24H21N3O2S	415.507	5	0	91.52	4	6	1	-0.319	4.80638000000001	3.44	6.361	46.4635	122.274	3.1201	378.976508592024
Cond-008851	NPE287	2-(2-Morpholin-4-yl-2-oxo-ethylsulfanyl)-4-phenyl-6-p-tolyl-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.1396730676	Cc1ccc(cc1)c1nc(SCC(=O)N2CCOCC2)c(C#N)c(c1)c1ccccc1	InChI=1S/C25H23N3O2S/c1-18-7-9-20(10-8-18)23-15-21(19-5-3-2-4-6-19)22(16-26)25(27-23)31-17-24(29)28-11-13-30-14-12-28/h2-10,15H,11-14,17H2,1H3	C25H23N3O2S	429.534	5	0	91.52	4	6	1	0.323000000000002	4.83440000000001	3.55	6.684	51.9656	125.914	3.261	396.272493217891
Cond-008852	NPE288	2-(2-Morpholin-4-yl-ethylsulfanyl)-4-phenyl-6-p-tolyl-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.2319802205	Cc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(SCCN2CCOCC2)n1	InChI=1S/C25H25N3OS/c1-19-7-9-21(10-8-19)24-17-22(20-5-3-2-4-6-20)23(18-26)25(27-24)30-16-13-28-11-14-29-15-12-28/h2-10,17H,11-16H2,1H3	C25H25N3OS	415.55	4	0	74.45	4	6	1	1.196	5.30780000000001	3.66	7.423	52.2845	125.774	3.2453	390.11872521813
Cond-008853	NPE289	2-(2-oxo-4-propylchromen-7-yloxy)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.7121701158	CCCc1cc(=O)oc2cc(OCC(=O)O)ccc12	InChI=1S/C14H14O5/c1-2-3-9-6-14(17)19-12-7-10(4-5-11(9)12)18-8-13(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)	C14H14O5	262.258	5	1	72.83	2	5	0	-0.6956	2.80447	2.45	2.528	42.3912	72.3348000000001	1.8995	243.219707359339
Cond-008854	NPE29	1,2,3,3a,9,9a-Hexahydro-chromeno[2,3-c]pyrrole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.14041007	C1NCC2Oc3ccccc3CC12	InChI=1S/C11H13NO/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)13-10/h1-4,9,11-12H,5-7H2	C11H13NO	175.227	2	1	21.26	3	0	0	-0.5866	1.71029	2.45	2.073	25.2988	52.9827	1.3622	162.720524289261
Cond-008855	NPE290	2-[2-phenyl-1-benzylethyl]-3,5,6,7,8,9-hexahydrocyclohepta[1,2-d]pyrimidino[4,5-b]thiophen-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7690653201	O=c1[nH]c(nc2c1c1c(CCCCC1)s2)C(Cc1ccccc1)Cc1ccccc1	InChI=1S/C26H26N2OS/c29-25-23-21-14-8-3-9-15-22(21)30-26(23)28-24(27-25)20(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,27,28,29)	C26H26N2OS	414.562	3	1	69.7	5	5	1	-0.0578000000000012	5.75808000000001	3.88	9.807	52.6164	127.7577	3.2208	386.69794963583
Cond-008856	NPE291	2-[(2-Piperazin-1-yl-ethylamino)-methylene]-5-p-tolyl-cyclohexane-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.365910413	Cc1ccc(cc1)C1CC(=O)/C(=C\NCCN2CCNCC2)/C(=O)C1	InChI=1S/C20H27N3O2/c1-15-2-4-16(5-3-15)17-12-19(24)18(20(25)13-17)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,17,21-22H,6-13H2,1H3/b18-14-	C20H27N3O2	341.447	5	2	61.44	3	5	0	-1.1289	1.269	3.11	3.645	74.2067	100.4394	2.7596	341.258756936558
Cond-008857	NPE292	2-{[3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-5-nitro-2-(methyloxy)phenyl]methyl}-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8418760154	COc1c(CN2C(=O)c3ccccc3C2=O)cc(cc1CN1C(=O)c2ccccc2C1=O)N(=O)=O	InChI=1S/C25H17N3O7/c1-35-21-14(12-26-22(29)17-6-2-3-7-18(17)23(26)30)10-16(28(33)34)11-15(21)13-27-24(31)19-8-4-5-9-20(19)25(27)32/h2-11H,12-13H2,1H3	C25H17N3O7	471.418	10	0	127.13	5	6	0	-0.8851	2.89969	3.11	4.345	45.3962	126.6505	3.1964	404.085226560696
Cond-008858	NPE293	2-[3-((1E)-2-{2-[1-benzylbenzimidazol-2-ylthio]acetylamino}-2-azavinyl)phenoxy]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6763416657	[O-]C(=O)COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1	InChI=1S/C25H22N4O4S/c30-23(28-26-14-19-9-6-10-20(13-19)33-16-24(31)32)17-34-25-27-21-11-4-5-12-22(21)29(25)15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,28,30)(H,31,32)/p-1/b26-14+	C25H21N4O4S-	473.524	8	1	133.94	4	11	2	-1.5289	3.30096	3.22	6.287	46.0808	130.9647	3.41370000000001	409.99501877598
Cond-008859	NPE294	2-[3-(2-Nitro-indolo[3,2-b]quinolin-10-yl)-propyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0888619798	O=C1N(CCCn2c3ccccc3c3c2cc2cc(N(=O)=O)ccc2n3)C(=O)c2ccccc12	InChI=1S/C26H18N4O4/c31-25-18-6-1-2-7-19(18)26(32)29(25)13-5-12-28-22-9-4-3-8-20(22)24-23(28)15-16-14-17(30(33)34)10-11-21(16)27-24/h1-4,6-11,14-15H,5,12-13H2	C26H18N4O4	450.446	8	0	98.34	6	5	1	-0.3498	5.16978	3.44	6.121	31.507	133.7615	3.1524	371.850832592246
Cond-008860	NPE295	2-[3-(3-Oxo-benzo[4,5]imidazo[2,1-b]thiazol-2-ylidenemethyl)-indol-1-ylmethyl]-benzonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3519823475	O=c1n2c(s/c/1=C\c1cn(Cc3ccccc3C#N)c3ccccc13)nc1ccccc21	InChI=1S/C26H16N4OS/c27-14-17-7-1-2-8-18(17)15-29-16-19(20-9-3-5-11-22(20)29)13-24-25(31)30-23-12-6-4-10-21(23)28-26(30)32-24/h1-13,16H,15H2/b24-13-	C26H16N4OS	432.496	5	0	88.91	6	3	1	0.0362999999999999	6.66416	3.66	6.55	38.6901	129.2145	3.0968	361.352717847363
Cond-008861	NPE296	2-{3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9543432451	O=C(CCn1c(=O)c2cccc3cccc(c1=O)c23)N1CCN(Cc2cc3c(OCO3)cc2)CC1	InChI=1S/C27H25N3O5/c31-24(29-13-11-28(12-14-29)16-18-7-8-22-23(15-18)35-17-34-22)9-10-30-26(32)20-5-1-3-19-4-2-6-21(25(19)20)27(30)33/h1-8,15H,9-14,16-17H2	C27H25N3O5	471.504	8	0	79.39	6	6	0	-1.5782	3.02868	3.55	3.668	63.017	132.6805	3.3812	416.649659812908
Cond-008862	NPE297	2-(3-{4-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-1-piperazinyl}propyl)-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4534382786	O=C1N(CCC[NH+]2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc12	InChI=1S/C26H28N4O4/c31-23-19-7-1-2-8-20(19)24(32)29(23)13-5-11-27-15-17-28(18-16-27)12-6-14-30-25(33)21-9-3-4-10-22(21)26(30)34/h1-4,7-10H,5-6,11-18H2/p+2	C26H30N4O4++	462.541	8	2	83.64	5	8	0	-4.8876	-0.889209999999997	3.44	2.832	68.2868	127.0009	3.476	430.089584797047
Cond-008863	NPE298	2-(3-{4-[3-(trifluoromethyl)phenyl]piperazinyl}propyl)-2,5,6,7,8,8a-hexahydro-2-azaindolizine-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5802122785	FC(F)(F)c1cc(ccc1)N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1	InChI=1S/C21H27F3N4O2/c22-21(23,24)16-5-3-6-17(15-16)26-13-11-25(12-14-26)8-4-10-28-19(29)18-7-1-2-9-27(18)20(28)30/h3,5-6,15,18H,1-2,4,7-14H2	C21H27F3N4O2	424.46	6	0	47.1	4	6	0	-0.854599999999998	2.81818	2.78	3.233	75.0693	108.668	2.9878	378.03417832151
Cond-008864	NPE299	2-{3-[4-(4-fluorophenyl)piperazinyl]propyl}-2,5,6,7,8,8a-hexahydro-2-azaindolizine-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4866975265	Fc1ccc(cc1)N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1	InChI=1S/C20H27FN4O2/c21-16-5-7-17(8-6-16)23-14-12-22(13-15-23)9-3-11-25-19(26)18-4-1-2-10-24(18)20(25)27/h5-8,18H,1-4,9-15H2	C20H27FN4O2	374.452	6	0	47.1	4	5	0	-1.473	2.27958	2.89	2.078	69.5072	104.402	2.8115	348.603075995031
Cond-008865	NPE3	10-acetyl-11-(3,4-dimethoxyphenyl)-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7325562682	COc1ccc(cc1OC)C1N(C(=O)C)c2ccccc2NC2=C1C(=O)CC(C2)c1ccco1	InChI=1S/C27H26N2O5/c1-16(30)29-21-8-5-4-7-19(21)28-20-13-18(23-9-6-12-34-23)14-22(31)26(20)27(29)17-10-11-24(32-2)25(15-17)33-3/h4-12,15,18,27-28H,13-14H2,1-3H3	C27H26N2O5	458.506	7	1	81.01	5	5	0	-2.0007	5.63637	3.66	3.842	61.8041	130.6657	3.39	418.009358305541
Cond-008866	NPE30	1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-methyl-1,3-dihydro-2H-1,6,10b-triaza-cyclopenta[c]fluorene-5-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9916771871	COc1c(OC)cc(CCN2CCc3c2n2c(nc4c2cccc4)c(C#N)c3C)cc1	InChI=1S/C25H24N4O2/c1-16-18-11-13-28(12-10-17-8-9-22(30-2)23(14-17)31-3)25(18)29-21-7-5-4-6-20(21)27-24(29)19(16)15-26/h4-9,14H,10-13H2,1-3H3	C25H24N4O2	412.484	6	0	62.79	5	5	0	1.1339	4.88619	3.55	4.719	50.4563	123.82	3.1317	368.140229368458
Cond-008867	NPE300	2-{3-[4-(4-methylphenyl)piperazinyl]propyl}-2,5,6,7,7a-pentahydro-2-azapyrrolizine-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.525926965	Cc1ccc(cc1)N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1	InChI=1S/C20H28N4O2/c1-16-5-7-17(8-6-16)22-14-12-21(13-15-22)9-3-11-24-19(25)18-4-2-10-23(18)20(24)26/h5-8,18H,2-4,9-15H2,1H3	C20H28N4O2	356.462	6	0	47.1	4	5	0	-1.0227	1.7784	3	2.295	71.2252	103.467	2.7938	342.535517144725
Cond-008868	NPE301	2-[3-(4-Chloro-phenyl)-1,2,4-oxadiazol-5-ylmethylsulfanyl]-4,5,6,7-tetramethyl-1H-benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	17.6902315451	Cc1c2[nH]c(SCc3nc(no3)c3ccc(Cl)cc3)nc2c(C)c(C)c1C	InChI=1S/C20H19ClN4OS/c1-10-11(2)13(4)18-17(12(10)3)23-20(24-18)27-9-16-22-19(25-26-16)14-5-7-15(21)8-6-14/h5-8H,9H2,1-4H3,(H,23,24)	C20H19ClN4OS	398.909	5	1	92.9	4	4	1	3.34	4.17666	2.89	5.771	45.0488	105.948	2.849	324.219547468996
Cond-008869	NPE302	2-(3,4-dihydro-1H-Isoquinglin-2-Yl)-Acetamide,Hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8989489169	Cl.NC(=O)CN1CCc2c(C1)cccc2	InChI=1S/C11H14N2O.ClH/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13;/h1-4H,5-8H2,(H2,12,14);1H	C11H15ClN2O	226.703	3	2	46.33	2	2	0	-0.5446	0.42439	2.34	1.462	28.7777	57.1044	1.5276	183.437284497428
Cond-008870	NPE303	2-[(3,4-dihydroxyphenyl)(3-hydroxy-4-oxocyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8317628676	OC1=C/C(=C(\c2cc(O)c(O)cc2)/c2c(cccc2)S(=O)(=O)O)/C=CC1=O	InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,20,22-23H,(H,24,25,26)/b19-12+	C19H14O7S	386.375	7	4	140.51	3	3	0	-1.3835	3.71156	2.67	2.262	51.4406	98.5942	2.6043	331.986814443396
Cond-008871	NPE304	2-(3,4-dimethylphenyl)-2-oxoethyl (16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9906624809	Cc1c(C)cc(cc1)C(=O)COC(=O)CN1C(=O)C2C(C3c4ccccc4C2c2c3cccc2)C1=O	InChI=1S/C30H25NO5/c1-16-11-12-18(13-17(16)2)23(32)15-36-24(33)14-31-29(34)27-25-19-7-3-4-8-20(19)26(28(27)30(31)35)22-10-6-5-9-21(22)25/h3-13,25-28H,14-15H2,1-2H3	C30H25NO5	479.523	6	0	80.75	4	6	1	-0.525200000000001	3.56123	4.1	8.158	58.8407	130.6705	3.51830000000001	441.271175872575
Cond-008872	NPE305	2-(3,4-dimethylphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6756352765	Cc1ccc(cc1C)C(=O)COC(=O)CN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C30H25NO5/c1-16-11-12-18(13-17(16)2)23(32)15-36-24(33)14-31-29(34)27-25-19-7-3-4-8-20(19)26(28(27)30(31)35)22-10-6-5-9-21(22)25/h3-13,25-28H,14-15H2,1-2H3	C30H25NO5	479.523	6	0	80.75	4	6	1	-0.525200000000001	3.56123	4.1	8.158	58.8407	130.6705	3.51830000000001	441.271175872575
Cond-008873	NPE306	2-[3-(4-Trifluoromethyl-phenyl)-1,2,4-oxadiazol-5-ylmethyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4634521976	FC(F)(F)c1ccc(cc1)c1noc(CN2C(=O)c3ccccc3C2=O)n1	InChI=1S/C18H10F3N3O3/c19-18(20,21)11-7-5-10(6-8-11)15-22-14(27-23-15)9-24-16(25)12-3-1-2-4-13(12)17(24)26/h1-8H,9H2	C18H10F3N3O3	373.286	6	0	76.3	4	4	1	0.1973	3.27378	2.45	5.078	25.1489	91.2235	2.309	288.957397432304
Cond-008874	NPE307	2-(3-{[(5-{3-nitrophenyl}-2-furyl)methylene]amino}phenyl)-5,7-dimethyl-1,3-benzoxazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.73755909	Cc1cc(C)c2oc(nc2c1)c1cc(ccc1)/N=C/c1ccc(o1)c1cc(ccc1)N(=O)=O	InChI=1S/C26H19N3O4/c1-16-11-17(2)25-23(12-16)28-26(33-25)19-6-3-7-20(13-19)27-15-22-9-10-24(32-22)18-5-4-8-21(14-18)29(30)31/h3-15H,1-2H3/b27-15+	C26H19N3O4	437.447	7	0	94.67	5	5	1	1.6017	7.27101	3.55	7.914	25.6834	133.813	3.16120000000001	373.21053108488
Cond-008875	NPE308	2-[3-(5-carboxy-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.1768493923	OC(=O)c1ccc2[nH]c(nc2c1)c1cc(ccc1)c1nc2c([nH]1)ccc(c2)C(=O)O	InChI=1S/C22H14N4O4/c27-21(28)13-4-6-15-17(9-13)25-19(23-15)11-2-1-3-12(8-11)20-24-16-7-5-14(22(29)30)10-18(16)26-20/h1-10H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	C22H14N4O4	398.371	8	4	131.96	5	4	0	-1.3204	4.48656	3	4.043	21.0386	119.3131	2.7404	317.659811490379
Cond-008876	NPE309	2-(3,5-dibromo-4-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.774029021	COc1c(Br)cc(cc1Br)C1Nc2c(c3c(CN(C)CC3)s2)C(=O)N1	InChI=1S/C17H17Br2N3O2S/c1-22-4-3-9-12(7-22)25-17-13(9)16(23)20-15(21-17)8-5-10(18)14(24-2)11(19)6-8/h5-6,15,21H,3-4,7H2,1-2H3,(H,20,23)	C17H17Br2N3O2S	487.209	5	2	81.84	4	2	0	1.7877	3.52388	2.45	2.548	68.6974	105.1294	2.7418	323.19060637089
Cond-008877	NPE31	1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-indol-1-yl-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.8654187892	COc1c(OC)cc(CCNCC(O)Cn2ccc3c2cccc3)cc1	InChI=1S/C21H26N2O3/c1-25-20-8-7-16(13-21(20)26-2)9-11-22-14-18(24)15-23-12-10-17-5-3-4-6-19(17)23/h3-8,10,12-13,18,22,24H,9,11,14-15H2,1-2H3	C21H26N2O3	354.443	5	2	55.65	3	9	0	-0.7311	3.25689	3.22	3.376	45.3805	105.1055	2.8164	331.911749354019
Cond-008878	NPE310	2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]deca-8-ene-4-yl)pentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9028208842	CCCC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)O	InChI=1S/C14H17NO4/c1-2-3-9(14(18)19)15-12(16)10-7-4-5-8(6-7)11(10)13(15)17/h4-5,7-11H,2-3,6H2,1H3,(H,18,19)	C14H17NO4	263.289	5	1	74.68	3	4	0	-2.0513	1.20688	2.45	0.974	62.6798	68.8748	1.918	249.242699567745
Cond-008879	NPE311	2-(3-(9H-carbazol-9-yl)propanoyl)-N-(2-methylallyl)hydrazinecarbothioamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	30.0550598063	CC(=C)CNC(=S)[N-]NC(=O)CCn1c2ccccc2c2ccccc12	InChI=1S/C20H22N4OS/c1-14(2)13-21-20(26)23-22-19(25)11-12-24-17-9-5-3-7-15(17)16-8-4-6-10-18(16)24/h3-10H,1,11-13H2,2H3,(H3,21,22,23,25,26)/p-1	C20H21N4OS-	365.472	5	2	78.15	3	9	0	0.861699999999999	4.60537	3	4.188	56.6758	114.9914	2.8137	330.946709048963
Cond-008880	NPE312	2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6800239097	COc1ccc(CCNC(=O)CSc2nc3c(c4c(CCCC4)s3)c(=O)n2CC=C)cc1	InChI=1S/C24H27N3O3S2/c1-3-14-27-23(29)21-18-6-4-5-7-19(18)32-22(21)26-24(27)31-15-20(28)25-13-12-16-8-10-17(30-2)11-9-16/h3,8-11H,1,4-7,12-15H2,2H3,(H,25,28)	C24H27N3O3S2	469.619	6	1	124.54	4	10	0	0.939399999999999	3.60676	3.22	4.109	87.7113	131.5737	3.4713	425.085135452586
Cond-008881	NPE313	2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-benzo[1,3]dioxol-5-ylmethyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.424818946	C=CCn1c(=O)c2c(sc3c2CCCC3)nc1SCC(=O)NCc1ccc2OCOc2c1	InChI=1S/C23H23N3O4S2/c1-2-9-26-22(28)20-15-5-3-4-6-18(15)32-21(20)25-23(26)31-12-19(27)24-11-14-7-8-16-17(10-14)30-13-29-16/h2,7-8,10H,1,3-6,9,11-13H2,(H,24,27)	C23H23N3O4S2	469.576	7	1	133.77	5	8	0	0.432899999999999	4.25356	3	3.234	83.4158	131.2522	3.2805	404.22291882648
Cond-008882	NPE314	2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.759954125	C=CCn1c(=O)c2c(sc3c2CCC3)nc1SCC(=O)NCc1ccc2OCOc2c1	InChI=1S/C22H21N3O4S2/c1-2-8-25-21(27)19-14-4-3-5-17(14)31-20(19)24-22(25)30-11-18(26)23-10-13-6-7-15-16(9-13)29-12-28-15/h2,6-7,9H,1,3-5,8,10-12H2,(H,23,26)	C22H21N3O4S2	455.55	7	1	133.77	5	8	0	0.7209	3.86346	2.89	2.665	80.5042	126.6352	3.1396	386.926934200613
Cond-008883	NPE315	2-{[(3-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-5-nitro-1,3-benzooxazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8701292586	Cc1cccc2nc(CSc3nc4cc(ccc4o3)N(=O)=O)c(Br)n12	InChI=1S/C16H11BrN4O3S/c1-9-3-2-4-14-18-12(15(17)20(9)14)8-25-16-19-11-7-10(21(22)23)5-6-13(11)24-16/h2-7H,8H2,1H3	C16H11BrN4O3S	419.253	7	0	111.77	4	4	1	2.3061	5.74428	2.23	5.243	35.5641	104.535	2.4554	276.688613573784
Cond-008884	NPE316	2-{[(3-bromo-5-methylimidazo[1,2-a]pyridine-2-yl)methyl]sulfanyl}-5-nitro-1,3-benzothiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0185159209	Cc1cccc2nc(CSc3nc4cc(ccc4s3)N(=O)=O)c(Br)n12	InChI=1S/C16H11BrN4O2S2/c1-9-3-2-4-14-18-12(15(17)20(9)14)8-24-16-19-11-7-10(21(22)23)5-6-13(11)25-16/h2-7H,8H2,1H3	C16H11BrN4O2S2	435.318	6	0	126.87	4	4	1	3.0508	6.28669	2.23	5.459	41.7385	107.983	2.5602	286.407410930823
Cond-008885	NPE317	2-(3-Carbamoylmethoxy-6-oxo-6H-dibenzo[b,d]pyran-1-yloxy)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.1403862102	NC(=O)COc1cc2c(c(OCC(=O)N)c1)c1ccccc1c(=O)o2	InChI=1S/C17H14N2O6/c18-14(20)7-23-9-5-12(24-8-15(19)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h1-6H,7-8H2,(H2,18,20)(H2,19,21)	C17H14N2O6	342.303	8	4	130.94	3	6	0	-2.0725	1.13198	2.45	0.907	33.5369	92.1818	2.3429	294.725573550634
Cond-008886	NPE318	2-[3-(carboxyethoxy)-6-oxo-7,8,9,10-tetrahydrobenzo[2,1-c]chromenyloxy]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3057436432	CC(Oc1cc2c(c(OC(C)C(=O)O)c1)c1c(CCCC1)c(=O)o2)C(=O)O	InChI=1S/C19H20O8/c1-9(17(20)21)25-11-7-14(26-10(2)18(22)23)16-12-5-3-4-6-13(12)19(24)27-15(16)8-11/h7-10H,3-6H2,1-2H3,(H,20,21)(H,22,23)	C19H20O8	376.357	8	2	119.36	3	6	0	-1.4651	3.18897	2.67	2.254	65.8439	97.1586000000001	2.6285	341.077393188757
Cond-008887	NPE319	2-[3-(carboxymethyl)adamantanyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0573381432	OC(=O)CC12CC3CC(C1)CC(CC(=O)O)(C3)C2	InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)	C14H20O4	252.306	4	2	74.6	0	4	0	0.0415999999999999	2.75629	2.56	3.368	62.8684	67.2966000000001	1.9042	243.518856761178
Cond-008888	NPE32	1,2,3,4-tetrahydroquinolyl 7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl) ketone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6221795146	FC(F)(F)c1c2CCc3c(cccc3)c2nc2cc(nn12)C(=O)N1CCCc2c1cccc2	InChI=1S/C25H19F3N4O/c26-25(27,28)23-18-12-11-15-6-1-3-9-17(15)22(18)29-21-14-19(30-32(21)23)24(33)31-13-5-8-16-7-2-4-10-20(16)31/h1-4,6-7,9-10,14H,5,8,11-13H2	C25H19F3N4O	448.44	5	0	50.5	6	3	1	0.3873	6.11986000000001	3.33	7.572	38.9941	122.906	3.0175	365.196220518016
Cond-008889	NPE320	2-(3-Carboxy-propionylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0435569837	CCOC(=O)c1c(NC(=O)CCC(=O)O)scc1c1ccccc1	InChI=1S/C17H17NO5S/c1-2-23-17(22)15-12(11-6-4-3-5-7-11)10-24-16(15)18-13(19)8-9-14(20)21/h3-7,10H,2,8-9H2,1H3,(H,18,19)(H,20,21)	C17H17NO5S	347.386	6	2	120.94	2	9	0	0.0472000000000005	4.27748	2.56	4.164	47.8349	95.5810000000001	2.4995	308.440528101107
Cond-008890	NPE321	2-(3-chlorophenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9494263638	CC1=NN(C(=O)/C/1=C\NC12C[NH+]3C[NH+](C[NH+](C3)C1)C2)c1cccc(Cl)c1	InChI=1S/C18H21ClN6O/c1-13-16(17(26)25(21-13)15-4-2-3-14(19)5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/p+3/b16-6-	C18H24ClN6O+++	375.876	7	4	58.02	2	3	0	-5.2207	-2.47003	2.56	1.577	65.8661	101.4838	2.6882	325.319680028796
Cond-008891	NPE322	2-(3-cyano-1H-indole-1-yl)-N-(tetrahydrofuran-2-ylmethyl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.2374214207	O=C(Cn1cc(C#N)c2ccccc12)NCC1CCCO1	InChI=1S/C16H17N3O2/c17-8-12-10-19(15-6-2-1-5-14(12)15)11-16(20)18-9-13-4-3-7-21-13/h1-2,5-6,10,13H,3-4,7,9,11H2,(H,18,20)	C16H17N3O2	283.325	5	1	67.05	3	5	0	-1.546	2.27958	2.67	1.562	41.3647	81.1957	2.153	258.53835973229
Cond-008892	NPE323	2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridine-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.6634480539	COc1ccc(cc1OC)c1nc(SCC(=O)Nc2c(C#N)c3c(CCCC3)s2)c(cc1)C#N	InChI=1S/C25H22N4O3S2/c1-31-20-10-8-15(11-21(20)32-2)19-9-7-16(12-26)24(28-19)33-14-23(30)29-25-18(13-27)17-5-3-4-6-22(17)34-25/h7-11H,3-6,14H2,1-2H3,(H,29,30)	C25H22N4O3S2	490.597	7	1	161.57	4	8	0	0.0524	5.89496	3.22	3.682	69.7597	135.1667	3.54	431.932045483419
Cond-008893	NPE324	2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7322316579	CN1CCc2c(C1)cc(C#N)c(SCC(=O)Nc1c(C#N)c3c(CCCC3)s1)n2	InChI=1S/C21H21N5OS2/c1-26-7-6-17-14(11-26)8-13(9-22)20(24-17)28-12-19(27)25-21-16(10-23)15-4-2-3-5-18(15)29-21/h8H,2-7,11-12H2,1H3,(H,25,27)	C21H21N5OS2	423.554	6	1	146.35	4	5	0	0.00669999999999904	4.21595	2.89	1.985	76.0588	116.0657	3.0878	374.973789889396
Cond-008894	NPE325	2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-phenyl-1,3-thiazole-2-yl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8313446904	FC(F)(F)c1cc(nc(SCC(=O)Nc2nc(cs2)c2ccccc2)c1C#N)c1ccccc1	InChI=1S/C24H15F3N4OS2/c25-24(26,27)18-11-19(15-7-3-1-4-8-15)29-22(17(18)12-28)33-14-21(32)31-23-30-20(13-34-23)16-9-5-2-6-10-16/h1-11,13H,14H2,(H,30,31,32)	C24H15F3N4OS2	496.527	5	1	132.21	4	8	1	1.4774	7.78047000000001	3	8.244	40.2237	131.3927	3.2918	401.721825306549
Cond-008895	NPE326	2,3-di[(1H-benzo[d]imidazol-2-ylthio)methyl]quinoxalinediium-1,4-diolate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9671792518	O=n1c(CSc2nc3c([nH]2)cccc3)c(CSc2nc3c([nH]2)cccc3)n(=O)c2ccccc12	InChI=1S/C24H18N6O2S2/c31-29-19-11-5-6-12-20(19)30(32)22(14-34-24-27-17-9-3-4-10-18(17)28-24)21(29)13-33-23-25-15-7-1-2-8-16(15)26-23/h1-12H,13-14H2,(H,25,26)(H,27,28)	C24H18N6O2S2	486.569	8	2	161.84	6	6	0	-0.4202	4.93285	3	4.842	35.5014	132.668	3.32280000000001	370.426437171724
Cond-008896	NPE327	2-(3-Diethylamino-propylamino)-1-phenothiazin-10-yl-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.3645338903	CCN(CC)CCCNCC(=O)N1c2c(Sc3c1cccc3)cccc2	InChI=1S/C21H27N3OS/c1-3-23(4-2)15-9-14-22-16-21(25)24-17-10-5-7-12-19(17)26-20-13-8-6-11-18(20)24/h5-8,10-13,22H,3-4,9,14-16H2,1-2H3	C21H27N3OS	369.524	4	1	60.88	3	9	0	-0.212599999999997	4.33147000000001	3.22	4.282	58.312	108.7467	2.9623	354.737080218663
Cond-008897	NPE328	2,3-Dihydro-6-[[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylthio]methyl]-(1H,5H)-benzo[ij]quinolizin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.4466120929	O=C(CSCc1cc2cccc3c2n(CCC3)c1=O)N1CCc2c(C1)cccc2	InChI=1S/C24H24N2O2S/c27-22(25-12-10-17-5-1-2-6-20(17)14-25)16-29-15-21-13-19-8-3-7-18-9-4-11-26(23(18)19)24(21)28/h1-3,5-8,13H,4,9-12,14-16H2	C24H24N2O2S	404.525	4	0	65.92	5	5	0	-0.532200000000001	3.39258	3.55	4.995	67.4146	119.406	3.0407	374.432665785458
Cond-008898	NPE329	2-[(3-Hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-ylmethyl)-amino]-hexanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.1343804538	CCCCC(NCc1c2oc(=O)c3c(CCCC3)c2ccc1O)C(=O)O	InChI=1S/C20H25NO5/c1-2-3-8-16(19(23)24)21-11-15-17(22)10-9-13-12-6-4-5-7-14(12)20(25)26-18(13)15/h9-10,16,21-22H,2-8,11H2,1H3,(H,23,24)	C20H25NO5	359.416	6	3	95.86	3	7	0	-2.5444	4.00957000000001	3	3.499	65.4765	103.0895	2.7361	345.635916621907
Cond-008899	NPE33	1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxy-1-phenyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-1-propanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.2479333069	OC1(C[NH+](CCC(=O)c2ccc3OCCOc3c2)CCc2ccccc12)c1ccccc1	InChI=1S/C27H27NO4/c29-24(21-10-11-25-26(18-21)32-17-16-31-25)13-15-28-14-12-20-6-4-5-9-23(20)27(30,19-28)22-7-2-1-3-8-22/h1-11,18,30H,12-17,19H2/p+1	C27H28NO4+	430.516	5	2	60.2	5	5	1	-2.4127	2.30308	3.88	5.699	46.0138	124.9015	3.296	402.177059448014
Cond-008900	NPE330	2-(3-Methoxy-4-propoxy-phenyl)-1H-imidazo[4,5-b]phenazine 5,10-dioxide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4306548606	CCCOc1ccc(cc1OC)c1nc2cc3n(=O)c4ccccc4n(=O)c3cc2[nH]1	InChI=1S/C23H20N4O4/c1-3-10-31-21-9-8-14(11-22(21)30-2)23-24-15-12-19-20(13-16(15)25-23)27(29)18-7-5-4-6-17(18)26(19)28/h4-9,11-13H,3,10H2,1-2H3,(H,24,25)	C23H20N4O4	416.429	8	1	101.02	5	5	0	-1.6352	6.37796000000001	3.11	3.26	29.6474	126.684	2.9673	340.228713517846
Cond-008901	NPE331	2-(3-methoxyphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8474335238	COc1cccc(c1)C(=O)COC(=O)C(C)N1C(=O)C2C(C3c4ccccc4C2c2c3cccc2)C1=O	InChI=1S/C30H25NO6/c1-16(30(35)37-15-23(32)17-8-7-9-18(14-17)36-2)31-28(33)26-24-19-10-3-4-11-20(19)25(27(26)29(31)34)22-13-6-5-12-21(22)24/h3-14,16,24-27H,15H2,1-2H3	C30H25NO6	495.523	7	0	89.98	4	7	1	-1.765	3.90229000000001	3.99	6.961	59.8118	134.5375	3.57700000000001	450.061402573136
Cond-008902	NPE332	2-(3-Oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinolin-2-ylmethylsulfanyl)-N-pyridin-4-ylmethyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0924625024	O=C(CSCc1cc2cccc3c2n(CCC3)c1=O)NCc1ccncc1	InChI=1S/C21H21N3O2S/c25-19(23-12-15-6-8-22-9-7-15)14-27-13-18-11-17-4-1-3-16-5-2-10-24(20(16)17)21(18)26/h1,3-4,6-9,11H,2,5,10,12-14H2,(H,23,25)	C21H21N3O2S	379.475	5	1	87.6	4	7	0	-0.7994	2.51908	3.11	2.987	58.2506	109.9267	2.8264	345.897930816824
Cond-008903	NPE333	2-(3-Oxo-cyclohex-1-enylamino)-cyclopent-1-enecarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	128.107967817	O=C1CCCC(=C1)NC1=C(CCC1)C#N	InChI=1S/C12H14N2O/c13-8-9-3-1-6-12(9)14-10-4-2-5-11(15)7-10/h7,14H,1-6H2	C12H14N2O	202.252	3	1	52.89	2	2	0	-0.8774	2.09307	2.45	0.391	56.9834	57.5447	1.6255	208.996810422495
Cond-008904	NPE334	2-(3-Phenyl-1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydro-isoquinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5200805592	C(N1CCc2ccccc2C1)c1c[nH]nc1c1ccccc1	InChI=1S/C19H19N3/c1-2-7-16(8-3-1)19-18(12-20-21-19)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,12H,10-11,13-14H2,(H,20,21)	C19H19N3	289.374	3	1	31.92	4	3	1	-0.1168	2.92769	3.22	5.89	24.7864	89.129	2.3067	266.952942807168
Cond-008905	NPE335	2-(3-Trifluoromethyl-phenoxy)-quinoxaline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9320990577	FC(F)(F)c1cc(Oc2nc3c(cccc3)nc2)ccc1	InChI=1S/C15H9F3N2O/c16-15(17,18)10-4-3-5-11(8-10)21-14-9-19-12-6-1-2-7-13(12)20-14/h1-9H	C15H9F3N2O	290.24	3	0	35.01	3	3	1	0.944	5.00578	2.45	5.308	8.0537	73.3800000000001	1.8637	226.121606047814
Cond-008906	NPE336	2-[(3Z,1E)-4-phenyl-4-(3,5,7-triazatricyclo[3.3.1.1<3,7>]decyl)-2,3-diazabuta-1,3-dienyl]-4-methoxyphenol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.404885546	COc1ccc(O)c(/C=N/N=C(\c2ccccc2)/C23C[NH+]4C[NH+](C[NH+](C4)C2)C3)c1	InChI=1S/C22H25N5O2/c1-29-19-7-8-20(28)18(9-19)10-23-24-21(17-5-3-2-4-6-17)22-11-25-14-26(12-22)16-27(13-22)15-25/h2-10,28H,11-16H2,1H3/p+3/b23-10+,24-21+	C22H28N5O2+++	394.49	7	4	67.5	2	5	0	-5.3021	-1.95332	3.11	3.612	53.4933	112.9891	3.0023	360.913099852625
Cond-008907	NPE337	2-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl 1-naphthoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3084116519	O=C(OCC[NH+]1CCN(CC1)C1=NS(=O)(=O)c2ccccc12)c1cccc2ccccc12	InChI=1S/C24H23N3O4S/c28-24(20-10-5-7-18-6-1-2-8-19(18)20)31-17-16-26-12-14-27(15-13-26)23-21-9-3-4-11-22(21)32(29,30)25-23/h1-11H,12-17H2/p+1	C24H24N3O4S+	450.53	7	1	88.86	5	6	1	-3.0134	1.82848	3.22	6.14	51.7051	120.2497	3.2364	390.791650044347
Cond-008908	NPE338	2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7902130649	O=C1N(C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)C(=O)c2ccccc12	InChI=1S/C21H21N3O4/c25-20-16-3-1-2-4-17(16)21(26)24(20)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2/p+2	C21H23N3O4++	381.425	7	2	64.72	5	4	0	-3.8853	-0.917919999999999	3	2.203	47.65	103.7979	2.7577	337.885818861147
Cond-008909	NPE339	2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-methylphenyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.2488970494	Cc1ccc(NC(=O)CN2CCN(Cc3cc4c(OCO4)cc3)CC2)cc1	InChI=1S/C21H25N3O3/c1-16-2-5-18(6-3-16)22-21(25)14-24-10-8-23(9-11-24)13-17-4-7-19-20(12-17)27-15-26-19/h2-7,12H,8-11,13-15H2,1H3,(H,22,25)	C21H25N3O3	367.441	6	1	54.04	4	6	0	-0.412899999999999	3.19489	3.11	3.058	54.3347	107.7847	2.8076	341.452050861385
Cond-008910	NPE34	1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4128495913	CC1CCc2c(C1)sc1c2c(SCC(=O)c2ccc3OCCOc3c2)ncn1	InChI=1S/C21H20N2O3S2/c1-12-2-4-14-18(8-12)28-21-19(14)20(22-11-23-21)27-10-15(24)13-3-5-16-17(9-13)26-7-6-25-16/h3,5,9,11-12H,2,4,6-8,10H2,1H3	C21H20N2O3S2	412.525	5	0	114.85	5	4	0	0.944399999999999	4.86976	3	3.677	60.8755	112.866	2.8832	341.580421366819
Cond-008911	NPE340	2-[4-(1-Amino-2,4-dicyano-benzo[4,5]imidazo[1,2-a]pyridin-3-yl)-2-methoxy-phenoxy]-N-cyclopentyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3270381669	COc1cc(ccc1OCC(=O)NC1CCCC1)c1c(C#N)c2nc3ccccc3n2c(N)c1C#N	InChI=1S/C27H24N6O3/c1-35-23-12-16(10-11-22(23)36-15-24(34)31-17-6-2-3-7-17)25-18(13-28)26(30)33-21-9-5-4-8-20(21)32-27(33)19(25)14-29/h4-5,8-12,17H,2-3,6-7,15,30H2,1H3,(H,31,34)	C27H24N6O3	480.518	9	3	138.46	5	7	0	-2.9122	4.85125000000001	3.44	3.04	55.5	138.9061	3.5428	425.606569634686
Cond-008912	NPE341	2-(4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4446118711	Cc1ccc(OCCOCCOc2ccc(cc2)c2nc3c(c4c(CCCC4)s3)c(=O)[nH]2)cc1	InChI=1S/C27H28N2O4S/c1-18-6-10-20(11-7-18)32-16-14-31-15-17-33-21-12-8-19(9-13-21)25-28-26(30)24-22-4-2-3-5-23(22)34-27(24)29-25/h6-13H,2-5,14-17H2,1H3,(H,28,29,30)	C27H28N2O4S	476.587	6	1	97.39	5	9	1	-0.0413999999999997	5.31789000000001	3.66	5.895	65.7822	138.8547	3.5378	430.36461436338
Cond-008913	NPE342	2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridine-5-yl)-2-methoxyphenoxy]ethyl acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8064004414	COc1cc(ccc1OCCOC(=O)C)C1Nc2c(c3ccccc3cc2)C2=C1C(=O)CC(C)(C)C2	InChI=1S/C30H31NO5/c1-18(32)35-13-14-36-25-12-10-20(15-26(25)34-4)29-28-22(16-30(2,3)17-24(28)33)27-21-8-6-5-7-19(21)9-11-23(27)31-29/h5-12,15,29,31H,13-14,16-17H2,1-4H3	C30H31NO5	485.571	6	1	73.86	5	7	1	0.483300000000001	6.91076000000001	4.1	6.495	72.7726	144.0827	3.7129	458.900551974975
Cond-008914	NPE343	2-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.0409379876	CCOc1cc(ccc1OCCOc1ccc(C)c(C)c1)c1nc2c(c3c(CCC3)s2)c(=O)[nH]1	InChI=1S/C27H28N2O4S/c1-4-31-22-15-18(25-28-26(30)24-20-6-5-7-23(20)34-27(24)29-25)9-11-21(22)33-13-12-32-19-10-8-16(2)17(3)14-19/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,28,29,30)	C27H28N2O4S	476.587	6	1	97.39	5	8	1	1.2181	5.33791000000001	3.66	5.818	68.9388	138.2277	3.5378	430.36461436338
Cond-008915	NPE344	({2-[4-(2,7-dimethyl-8-hydropyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-ylthio]ethyl}sulfonyl)benzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0481173037	Cc1nn2c(c1)ncc(c1nc(SCCS(=O)(=O)c3ccccc3)ncc1)c2C	InChI=1S/C20H19N5O2S2/c1-14-12-19-22-13-17(15(2)25(19)24-14)18-8-9-21-20(23-18)28-10-11-29(26,27)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3	C20H19N5O2S2	425.527	7	0	123.79	4	6	0	1.0808	4.12871	2.67	4.317	40.2225	106.399	3.0056	344.668031964091
Cond-008916	NPE345	2-(4-{2-[(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)oxy]ethyl}-1-piperazinyl)ethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.3223716991	OCC[NH+]1CC[NH+](CCOC2Cc3ccccc3Sc3ccc(Cl)cc23)CC1	InChI=1S/C22H27ClN2O2S/c23-18-5-6-22-19(16-18)20(15-17-3-1-2-4-21(17)28-22)27-14-12-25-9-7-24(8-10-25)11-13-26/h1-6,16,20,26H,7-15H2/p+2	C22H29ClN2O2S++	420.996	4	3	63.64	4	6	0	-2.0625	-0.0806099999999986	3.22	3.164	63.5537	108.3372	3.1619	377.954057808158
Cond-008917	NPE346	2-(4-{2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethyl}-1-piperazinyl)ethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	40.9708876077	OCC[NH+]1CC[NH+](CCN2CCCC(c3ccc(F)cc3)c3ccc(F)cc23)CC1	InChI=1S/C24H31F2N3O/c25-20-5-3-19(4-6-20)22-2-1-9-29(24-18-21(26)7-8-23(22)24)15-14-27-10-12-28(13-11-27)16-17-30/h3-8,18,22,30H,1-2,9-17H2/p+2	C24H33F2N3O++	417.535	4	3	32.35	4	6	0	-2.4344	0.116990000000004	3.44	3.695	60.7605	115.5112	3.2343	393.167586440077
Cond-008918	NPE347	2-(4-{2-[8-Fluoro-5-(4-fluoro-phenyl)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-ethyl}-piperazin-1-yl)-ethanol 2HCl	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	37.9261979446	OCCN1CCN(CCN2CCCC(c3ccc(F)cc3)c3c2cc(F)cc3)CC1	InChI=1S/C24H31F2N3O/c25-20-5-3-19(4-6-20)22-2-1-9-29(24-18-21(26)7-8-23(22)24)15-14-27-10-12-28(13-11-27)16-17-30/h3-8,18,22,30H,1-2,9-17H2	C24H31F2N3O	415.519	4	1	29.95	4	6	0	0.4798	2.95119	3.44	4.013	66.5565	117.2638	3.1913	390.531127739276
Cond-008919	NPE348	2-{4-[[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl]phenoxy}acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	91.7100275469	[O-]C(=O)COc1ccc(/C=N/Nc2cccc3c2nccc3)cc1	InChI=1S/C18H15N3O3/c22-17(23)12-24-15-8-6-13(7-9-15)11-20-21-16-5-1-3-14-4-2-10-19-18(14)16/h1-11,21H,12H2,(H,22,23)/p-1/b20-11+	C18H14N3O3-	320.322	6	1	86.64	3	6	0	-1.7281	2.44187	2.78	4.314	21.9736	96.0227	2.343	281.792950231784
Cond-008920	NPE349	2-[4-(3-(6H-dibenzo[c,f]thiepin-11-ylidene)propyl)piperazinyl]ethan-1-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.621610079	OCCN1CCN(CC/C=C\2/c3c(CSc4c2cccc4)cccc3)CC1	InChI=1S/C23H28N2OS/c26-17-16-25-14-12-24(13-15-25)11-5-9-21-20-7-2-1-6-19(20)18-27-23-10-4-3-8-22(21)23/h1-4,6-10,26H,5,11-18H2/b21-9-	C23H28N2OS	380.546	3	1	52.01	4	5	0	0.2337	2.68959	3.55	4.785	65.8618	108.2068	3.0357	365.97583056143
Cond-008921	NPE35	1-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-3-(4-fluoro-phenyl)-urea	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1312640682	Fc1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1	InChI=1S/C20H25FN4O/c21-18-6-8-19(9-7-18)23-20(26)22-10-11-24-12-14-25(15-13-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,22,23,26)	C20H25FN4O	356.437	5	2	47.61	3	8	0	-0.0403999999999985	2.62358	3	4.045	49.5965	103.9214	2.7754	335.99639059367
Cond-008922	NPE350	2-[4-(3-Allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-butyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4165300866	CC1CCc2c(C1)sc1c2c(=O)n(CC=C)c(SCCCCN2C(=O)c3ccccc3C2=O)n1	InChI=1S/C26H27N3O3S2/c1-3-12-29-25(32)21-19-11-10-16(2)15-20(19)34-22(21)27-26(29)33-14-7-6-13-28-23(30)17-8-4-5-9-18(17)24(28)31/h3-5,8-9,16H,1,6-7,10-15H2,2H3	C26H27N3O3S2	493.641	6	0	123.59	5	8	1	1.0213	5.10407	3.44	5.536	94.4361	140.904	3.6015	444.684187302719
Cond-008923	NPE351	2-({4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2585953277	OC(=O)c1c(NC(=O)CCC(=O)Nc2c(C(=O)O)c3c(CCCC3)s2)sc2c1CCCC2	InChI=1S/C22H24N2O6S2/c25-15(23-19-17(21(27)28)11-5-1-3-7-13(11)31-19)9-10-16(26)24-20-18(22(29)30)12-6-2-4-8-14(12)32-20/h1-10H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	C22H24N2O6S2	476.566	8	4	189.28	4	9	0	-1.0144	4.34707	2.78	3.134	84.2878	122.1505	3.3088	408.503544795169
Cond-008924	NPE352	2-[4-(3-dibenzo[b,e]thiepin-11(6H)-ylidenepropyl)-1-piperazinyl]ethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.268239019	OCCN1CCN(CC/C=C\2/c3ccccc3CSc3c2cccc3)CC1	InChI=1S/C23H28N2OS/c26-17-16-25-14-12-24(13-15-25)11-5-9-21-20-7-2-1-6-19(20)18-27-23-10-4-3-8-22(21)23/h1-4,6-10,26H,5,11-18H2/b21-9-	C23H28N2OS	380.546	3	1	52.01	4	5	0	0.2337	2.68959	3.55	4.785	65.8618	108.2068	3.0357	365.97583056143
Cond-008925	NPE353	2-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1905418765	FC(F)(F)c1cc(ccc1)N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1	InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,19H,1-4,8-15H2	C22H29F3N4O2	438.486	6	0	47.1	4	7	0	-1.1426	3.20828	2.89	3.591	77.9809	113.285	3.1287	395.330162947377
Cond-008926	NPE354	2-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6737270304	Fc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1	InChI=1S/C20H27FN4O2/c21-16-5-7-17(8-6-16)23-14-12-22(13-15-23)9-1-2-10-25-19(26)18-4-3-11-24(18)20(25)27/h5-8,18H,1-4,9-15H2	C20H27FN4O2	374.452	6	0	47.1	4	6	0	-1.473	2.27958	2.89	2.078	69.5072	104.402	2.8115	348.603075995031
Cond-008927	NPE355	2-{4-[4-(4-fluorophenyl)piperazinyl]butyl}-2,5,6,7,8,8a-hexahydro-2-azaindolizine-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0945434142	Fc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1	InChI=1S/C21H29FN4O2/c22-17-6-8-18(9-7-17)24-15-13-23(14-16-24)10-3-4-12-26-20(27)19-5-1-2-11-25(19)21(26)28/h6-9,19H,1-5,10-16H2	C21H29FN4O2	388.479	6	0	47.1	4	6	0	-1.761	2.66968	3	2.436	72.4188	109.019	2.9524	365.899060620898
Cond-008928	NPE356	2-{4-[4-(4-methylphenyl)piperazinyl]butyl}-2,5,6,7,7a-pentahydro-2-azapyrrolizine-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.572684341	Cc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1	InChI=1S/C21H30N4O2/c1-17-6-8-18(9-7-17)23-15-13-22(14-16-23)10-2-3-11-25-20(26)19-5-4-12-24(19)21(25)27/h6-9,19H,2-5,10-16H2,1H3	C21H30N4O2	370.488	6	0	47.1	4	6	0	-1.3107	2.1685	3.11	2.653	74.1368	108.084	2.9347	359.831501770591
Cond-008929	NPE357	2-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-4-oxo-butyl]-benzo[de]isoquinoline-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5038318267	O=C(CCCn1c(=O)c2cccc3cccc(c1=O)c23)N1CC[NH+](Cc2ccc3OCOc3c2)CC1	InChI=1S/C28H27N3O5/c32-25(30-14-12-29(13-15-30)17-19-9-10-23-24(16-19)36-18-35-23)8-3-11-31-27(33)21-6-1-4-20-5-2-7-22(26(20)21)28(31)34/h1-2,4-7,9-10,16H,3,8,11-15,17-18H2/p+1	C28H28N3O5+	486.539	8	1	80.59	6	7	0	-3.3233	2.00168	3.66	3.867	63.0306	136.4212	3.5436	435.263873789175
Cond-008930	NPE358	2-[4-(4-carboxy-2-quinolinyl)phenyl]-4-quinolinecarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5413614532	OC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)c1nc2c(cccc2)c(c1)C(=O)O	InChI=1S/C26H16N2O4/c29-25(30)19-13-23(27-21-7-3-1-5-17(19)21)15-9-11-16(12-10-15)24-14-20(26(31)32)18-6-2-4-8-22(18)28-24/h1-14H,(H,29,30)(H,31,32)	C26H16N2O4	420.416	6	2	100.38	5	4	1	-0.4796	6.38897	3.66	6.432	14.4386	128.7061	3.01840000000001	359.577312175913
Cond-008931	NPE359	2-[4-(4-Cyano-5-methylsulfanyl-3-phenyl-thiophen-2-yl)-pyrimidin-2-ylsulfanyl]-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.9508352091	CSc1c(C#N)c(c(s1)c1ccnc(SCC(=O)N)n1)c1ccccc1	InChI=1S/C18H14N4OS3/c1-24-17-12(9-19)15(11-5-3-2-4-6-11)16(26-17)13-7-8-21-18(22-13)25-10-14(20)23/h2-8H,10H2,1H3,(H2,20,23)	C18H14N4OS3	398.525	5	2	171.5	3	6	0	1.0722	4.06887	2.56	4.051	47.2793	108.0744	2.7944	329.418099861229
Cond-008932	NPE36	1-[2-(4-bromophenyl)-2-oxoethyl]-3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0587619738	OC(C1C[N+]2(CC(=O)c3ccc(Br)cc3)CCC1CC2)(c1ccccc1)c1ccccc1	InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1	C28H29BrNO2+	491.439	3	1	37.3	3	6	1	-2.9193	4.81909000000001	4.1	7.964	48.9401	131.6082	3.4945	421.176209650325
Cond-008933	NPE360	2-[4-[4-Methyl-2-methylsulfanyl-5-(4-methyl-thiazol-2-yl)-thiophen-3-yl]-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5578824898	CSc1c(c(C)c(s1)c1nc(C)cs1)c1ccnc(SCC(=O)c2ccccc2)n1	InChI=1S/C22H19N3OS4/c1-13-11-28-20(24-13)19-14(2)18(21(27-3)30-19)16-9-10-23-22(25-16)29-12-17(26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3	C22H19N3OS4	469.666	4	0	162.82	4	7	1	3.0806	5.49731000000001	3	6.308	58.0133	125.311	3.3131	382.85784351333
Cond-008934	NPE361	2-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-N'-[(Z)-(1-methyl-1H-pyrrole-2-yl)methylidene]acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.5489114192	Cn1cccc1/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1	InChI=1S/C19H25N5O3S/c1-16-5-7-18(8-6-16)28(26,27)24-12-10-23(11-13-24)15-19(25)21-20-14-17-4-3-9-22(17)2/h3-9,14H,10-13,15H2,1-2H3,(H,21,25)/b20-14+	C19H25N5O3S	403.498	8	1	95.39	3	7	0	-0.990199999999999	1.56038	2.56	2.807	66.5397	107.2257	2.9975	359.719084784385
Cond-008935	NPE362	2-[4-(4-Pyridin-2-yl-pyrimidin-2-yl)-phenoxy]-N-thiophen-2-ylmethyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	73.1308900524	O=C(COc1ccc(cc1)c1nccc(n1)c1ccccn1)NCc1cccs1	InChI=1S/C22H18N4O2S/c27-21(25-14-18-4-3-13-29-18)15-28-17-8-6-16(7-9-17)22-24-12-10-20(26-22)19-5-1-2-11-23-19/h1-13H,14-15H2,(H,25,27)	C22H18N4O2S	402.469	6	1	105.24	4	8	0	-0.3885	3.96658	3.11	4.517	26.1283	115.4937	2.9381	344.481299548457
Cond-008936	NPE363	2-[4-(4-Trifluoromethyl-benzyloxy)-phenyl]-7,8-dihydro-6H-quinazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0784601544	COC(=O)/C(=C\Nc1cc(C)n[nH]1)/C#N	InChI=1S/C9H10N4O2/c1-6-3-8(13-12-6)11-5-7(4-10)9(14)15-2/h3,5H,1-2H3,(H2,11,12,13)/b7-5-	C9H10N4O2	206.201	6	2	90.8	1	4	0	-0.6042	1.00059	1.79	1.472	38.8597	54.7927	1.5267	186.712603661789
Cond-008937	NPE364	2-(4,5-Dihydro-naphtho[1,2-b]thiophen-2-yl)-5-(3-trifluoromethyl-benzylsulfanyl)-1,3,4-oxadiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6391422817	FC(F)(F)c1cccc(CSc2nnc(o2)c2cc3c(s2)c2ccccc2CC3)c1	InChI=1S/C22H15F3N2OS2/c23-22(24,25)16-6-3-4-13(10-16)12-29-21-27-26-20(28-21)18-11-15-9-8-14-5-1-2-7-17(14)19(15)30-18/h1-7,10-11H,8-9,12H2	C22H15F3N2OS2	444.493	3	0	92.46	5	5	1	2.2616	6.12928	3	8.807	38.0837	108.387	2.8738	343.325711740882
Cond-008938	NPE365	2-(4,5-dimethyl-3-oxido-1H-imidazol-3-ium-1-yl)-4-(methylsulfanyl)butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0181997975	CSCCC(n1cn(=O)c(C)c1C)C(=O)[O-]	InChI=1S/C10H16N2O3S/c1-7-8(2)12(15)6-11(7)9(10(13)14)4-5-16-3/h6,9H,4-5H2,1-3H3,(H,13,14)/p-1	C10H15N2O3S-	243.303	5	0	97.3	1	5	0	-0.157900000000001	1.17043	1.9	0.761	45.6863	65.774	1.7977	215.905465381484
Cond-008939	NPE366	[2-[4-(6-Chloro-benzothiazol-2-yl)-perhydro-1,4-diazepin-1-yl]-2-oxo-ethylsulfanyl]-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5866603483	OC(=O)CSCC(=O)N1CCCN(CC1)c1nc2c(s1)cc(Cl)cc2	InChI=1S/C16H18ClN3O3S2/c17-11-2-3-12-13(8-11)25-16(18-12)20-5-1-4-19(6-7-20)14(21)9-24-10-15(22)23/h2-3,8H,1,4-7,9-10H2,(H,22,23)	C16H18ClN3O3S2	399.915	6	1	127.28	3	6	0	0.418899999999999	3.97237	2.23	1.75	69.6458	107.7088	2.7041	322.194161019285
Cond-008940	NPE367	[2-[4-(6-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-ethoxycarbonylmethylsulfanyl]-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.0882596849	OC(=O)CSCC(=O)OCCN1CCN(CC1)c1nc2c(s1)cc(Cl)cc2	InChI=1S/C17H20ClN3O4S2/c18-12-1-2-13-14(9-12)27-17(19-13)21-5-3-20(4-6-21)7-8-25-16(24)11-26-10-15(22)23/h1-2,9H,3-8,10-11H2,(H,22,23)	C17H20ClN3O4S2	429.941	7	1	136.51	3	9	0	1.287	3.59887	2.23	1.634	77.9068	113.9108	2.9037	348.280372345713
Cond-008941	NPE368	2-{[4-(6-chlorobenzothiazol-2-yl)piperazinyl]carbonyl}cyclobutanecarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.1632507997	OC(=O)C1CCC1C(=O)N1CCN(CC1)c1nc2c(s1)cc(Cl)cc2	InChI=1S/C17H18ClN3O3S/c18-10-1-4-13-14(9-10)25-17(19-13)21-7-5-20(6-8-21)15(22)11-2-3-12(11)16(23)24/h1,4,9,11-12H,2-3,5-8H2,(H,23,24)	C17H18ClN3O3S	379.861	6	1	101.98	4	4	0	0.7417	3.87527	2.45	1.383	65.9635	101.9808	2.5729	308.624662886751
Cond-008942	NPE369	2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.9585031321	Cc1cc(C)nc(SCC(=O)Nc2nc(c(s2)c2ccccc2)c2ccccc2)n1	InChI=1S/C23H20N4OS2/c1-15-13-16(2)25-22(24-15)29-14-19(28)26-23-27-20(17-9-5-3-6-10-17)21(30-23)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,26,27,28)	C23H20N4OS2	432.561	5	1	121.31	4	7	1	1.2236	6.74280000000001	3.22	7.495	39.0555	126.2127	3.1838	371.496081531363
Cond-008943	NPE37	1-[2-(4-methyl-1-piperazinyl)ethyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.5722655763	C[NH+]1CC[NH+](CCN2CCn3c2nc2ccccc32)CC1	InChI=1S/C16H23N5/c1-18-6-8-19(9-7-18)10-11-20-12-13-21-15-5-3-2-4-14(15)17-16(20)21/h2-5H,6-13H2,1H3/p+2	C16H25N5++	287.403	5	2	29.94	4	3	0	-2.6663	-0.920119999999999	2.67	0.994	49.1903	86.2124000000001	2.2986	261.140802849901
Cond-008944	NPE370	2-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-indol-3-ylpropanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2439719005	CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	InChI=1S/C19H19N3O5S/c1-12(23)21-14-6-8-15(9-7-14)28(26,27)22-18(19(24)25)10-13-11-20-17-5-3-2-4-16(13)17/h2-9,11,18,20,22H,10H2,1H3,(H,21,23)(H,24,25)/p-1	C19H18N3O5S-	400.428	8	3	139.57	3	8	0	-2.9941	1.43687	2.56	1.807	40.4372	102.2774	2.8078	337.814871017174
Cond-008945	NPE371	2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4557483578	Fc1ccc(cc1)C(=O)CSc1nnc(n1CC=C)c1ccncc1	InChI=1S/C18H15FN4OS/c1-2-11-23-17(14-7-9-20-10-8-14)21-22-18(23)25-12-16(24)13-3-5-15(19)6-4-13/h2-10H,1,11-12H2	C18H15FN4OS	354.401	5	0	85.97	3	7	0	1.337	3.82665	2.67	3.973	36.3314	96.274	2.5281	301.104069297136
Cond-008946	NPE372	2-(4-Allyl-5-furan-2-yl-4H-1,2,4-triazol-3-ylsulfanyl)-1-phenothiazin-10-yl-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.754723235	C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc23)nnc1c1ccco1	InChI=1S/C23H18N4O2S2/c1-2-13-26-22(18-10-7-14-29-18)24-25-23(26)30-15-21(28)27-16-8-3-5-11-19(16)31-20-12-6-4-9-17(20)27/h2-12,14H,1,13,15H2	C23H18N4O2S2	446.545	6	0	114.76	5	7	1	0.9228	6.05783	3.11	5.658	46.967	120.465	3.1339	367.929849531124
Cond-008947	NPE373	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(4-morpholinyl)ethyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5977522828	Nc1c2c(sc3c2CCCC3)nc(SCC(=O)NCC[NH+]2CCOCC2)n1	InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22)/p+1	C18H26N5O2S2+	408.561	7	4	148.11	4	7	0	-2.1917	-0.194539999999999	2.45	0.478	76.8453	105.0738	2.9603	346.376585566758
Cond-008948	NPE374	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2939279071	COc1ccc(CCNC(=O)CSc2nc3c(c4c(CCCC4)s3)c(N)n2)cc1	InChI=1S/C21H24N4O2S2/c1-27-14-8-6-13(7-9-14)10-11-23-17(26)12-28-21-24-19(22)18-15-4-2-3-5-16(15)29-20(18)25-21/h6-9H,2-5,10-12H2,1H3,(H,23,26)(H2,22,24,25)	C21H24N4O2S2	428.571	6	3	143.67	4	8	0	-0.447899999999999	3.14166	2.89	3.373	63.4328	115.3891	3.1327	367.140173783391
Cond-008949	NPE375	2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0481717797	Cc1c(C)c2c(s1)nc(SCC(=O)NCCOCCO)nc2N	InChI=1S/C14H20N4O3S2/c1-8-9(2)23-13-11(8)12(15)17-14(18-13)22-7-10(20)16-3-5-21-6-4-19/h19H,3-7H2,1-2H3,(H,16,20)(H2,15,17,18)	C14H20N4O3S2	356.464	7	4	163.9	2	9	0	0.108200000000001	0.13121	2.01	-0.302	66.0797	87.4999	2.5513	298.380801606884
Cond-008950	NPE376	2-[(4-amino-6-hydroxy-2-pyrimidinyl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1791961952	Nc1nc(SCC(=O)c2ccc(O)c(O)c2)nc(O)c1	InChI=1S/C12H11N3O4S/c13-10-4-11(19)15-12(14-10)20-5-9(18)6-1-2-7(16)8(17)3-6/h1-4,16-17H,5H2,(H3,13,14,15,19)	C12H11N3O4S	293.298	7	5	154.86	2	4	0	-2.0058	0.957270000000001	1.9	0.261	29.6174	72.6498	1.9789	237.800357388345
Cond-008951	NPE377	2-[(4-benzyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.435261063	FC(F)(F)c1cc(nc2cc(nn12)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1	InChI=1S/C25H22F3N5O/c26-25(27,28)22-15-20(19-9-5-2-6-10-19)29-23-16-21(30-33(22)23)24(34)32-13-11-31(12-14-32)17-18-7-3-1-4-8-18/h1-10,15-16H,11-14,17H2	C25H22F3N5O	465.47	6	0	53.74	5	6	1	0.5477	4.51967	3.22	7.29	43.2331	125.501	3.2259	388.549439426983
Cond-008952	NPE378	2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}-N-[3-(4-morpholinyl)propyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.33414169	Cc1c(Br)c(nn1CC(=O)NCCC[NH+]1CCOCC1)N(=O)=O	InChI=1S/C13H20BrN5O4/c1-10-12(14)13(19(21)22)16-18(10)9-11(20)15-3-2-4-17-5-7-23-8-6-17/h2-9H2,1H3,(H,15,20)/p+1	C13H21BrN5O4+	391.241	9	2	103.73	2	8	0	-0.651399999999999	-0.0388000000000004	1.79	0.0159999999999999	65.927	91.6954	2.4814	297.992062803312
Cond-008953	NPE379	2-(4-bromophenyl)-1-[2-(1-piperidinyl)ethyl]-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.8968311352	Brc1ccc(cc1)c1cn2c(nc3ccccc23)n1CCN1CCCCC1	InChI=1S/C22H23BrN4/c23-18-10-8-17(9-11-18)21-16-27-20-7-3-2-6-19(20)24-22(27)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11,16H,1,4-5,12-15H2	C22H23BrN4	423.349	4	0	25.47	5	4	1	0.110799999999999	6.46837000000001	3.33	5.592	44.8767	118.122	2.8956	325.864817169702
Cond-008954	NPE38	1-(2,6-Dichloro-benzyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid (3-dimethylamino-propyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.342491755	CN(C)CCCNC(=O)c1cn(Cc2c(Cl)cccc2Cl)c(=O)cc1	InChI=1S/C18H21Cl2N3O2/c1-22(2)10-4-9-21-18(25)13-7-8-17(24)23(11-13)12-14-15(19)5-3-6-16(14)20/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,21,25)	C18H21Cl2N3O2	382.284	5	1	52.65	2	8	0	0.295899999999999	2.59037	2.67	2.03	76.0375	102.3627	2.7882	346.80892322569
Cond-008955	NPE380	2-(4-bromophenyl)-1-[2-(4-methyl-1-piperazinyl)ethyl]-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1468040272	CN1CCN(CCn2c(cn3c2nc2c3cccc2)c2ccc(Br)cc2)CC1	InChI=1S/C22H24BrN5/c1-25-10-12-26(13-11-25)14-15-27-21(17-6-8-18(23)9-7-17)16-28-20-5-3-2-4-19(20)24-22(27)28/h2-9,16H,10-15H2,1H3	C22H24BrN5	438.363	5	0	28.71	5	4	0	1.1135	5.22987000000001	3.22	4.371	54.161	121.768	2.9954	336.861577377869
Cond-008956	NPE381	{2-[(4-butaoxybenzylidene)hydrazono]-4-oxo-1,3-thiazolidine-5-yl}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1717865993	CCCCOc1ccc(/C=N/N=C\2/NC(=O)C(CC(=O)O)S2)cc1	InChI=1S/C16H19N3O4S/c1-2-3-8-23-12-6-4-11(5-7-12)10-17-19-16-18-15(22)13(24-16)9-14(20)21/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,21)(H,18,19,22)/b17-10+	C16H19N3O4S	349.405	7	2	125.65	2	8	0	-0.5546	2.39328	2.34	3.356	62.1302	97.7065	2.5425	317.884295891812
Cond-008957	NPE382	2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine-2-yl]oxy}ethyl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2748465411	CCNc1nc(NC(C)C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1	InChI=1S/C19H27ClN6O3/c1-5-21-17-24-18(23-12(2)3)26-19(25-17)28-9-8-22-16(27)11-29-15-7-6-14(20)10-13(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,22,27)(H2,21,23,24,25,26)	C19H27ClN6O3	422.909	9	3	110.29	2	12	1	-0.171199999999999	4.47968000000001	2.45	2.592	67.5696	121.5541	3.1648	379.774347406186
Cond-008958	NPE383	2-(4-chloro-3-methylphenoxy)-N'-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8315221766	Cc1cc2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)c(C)c3)n2c2ccccc12	InChI=1S/C22H20ClN5O3S/c1-13-10-19-24-27-22(28(19)18-6-4-3-5-16(13)18)32-12-21(30)26-25-20(29)11-31-15-7-8-17(23)14(2)9-15/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,30)	C22H20ClN5O3S	469.944	8	2	122.92	4	9	1	0.8048	3.4834	2.78	5.109	52.9374	123.7264	3.262	382.115812928419
Cond-008959	NPE384	2-(4-chlorophenoxy)-N-(2-{[(4-chlorophenoxy)acetyl]amino}cyclohexyl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.982600711	Clc1ccc(OCC(=O)NC2CCCCC2NC(=O)COc2ccc(Cl)cc2)cc1	InChI=1S/C22H24Cl2N2O4/c23-15-5-9-17(10-6-15)29-13-21(27)25-19-3-1-2-4-20(19)26-22(28)14-30-18-11-7-16(24)8-12-18/h5-12,19-20H,1-4,13-14H2,(H,25,27)(H,26,28)	C22H24Cl2N2O4	451.343	6	2	76.66	3	10	0	-1.7456	5.23027	3	4.326	56.9186	123.5884	3.2178	396.683637520513
Cond-008960	NPE385	2-(4-chlorophenyl)-1-[2-(4-methyl-1-piperazinyl)ethyl]-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7660969328	C[NH+]1CC[NH+](CC[N+]2=C(C=[N+]3c4ccccc4N=C23)c2ccc(Cl)cc2)CC1	InChI=1S/C22H24ClN5/c1-25-10-12-26(13-11-25)14-15-27-21(17-6-8-18(23)9-7-17)16-28-20-5-3-2-4-19(20)24-22(27)28/h2-9,16H,10-15H2,1H3/q+2/p+2	C22H26ClN5++++	395.928	5	2	27.26	5	4	0	-2.5144	0.162080000000002	3.22	4.906	59.3393	118.0654	2.9858	357.225484871536
Cond-008961	NPE386	2,4-Dimethyl-5-[2-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5677719604	CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C	InChI=1S/C22H22N4O3S/c1-5-29-21(28)19-13(3)20(23-14(19)4)17(27)11-30-22-25-24-18-10-12(2)15-8-6-7-9-16(15)26(18)22/h6-10,23H,5,11H2,1-4H3	C22H22N4O3S	422.5	7	1	114.65	4	7	1	1.7029	3.28574	3	5.23	56.9184	114.9365	3.0828	358.544443650619
Cond-008962	NPE387	2-[4-(dimethylamino)-2-butynyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9735820826	C[NH+](C)CC#CCN1C(=O)C2CC=CCC2C1=O	InChI=1S/C14H18N2O2/c1-15(2)9-5-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,11-12H,7-10H2,1-2H3/p+1	C14H19N2O2+	247.313	4	1	41.82	2	2	0	-1.0808	-0.67483	2.56	0.0619999999999999	69.0568	69.8557	1.9875	253.697235725189
Cond-008963	NPE388	2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.8375438514	OC(=O)C1CCC2(C1)NC(=O)NC2=O	InChI=1S/C8H10N2O4/c11-5(12)4-1-2-8(3-4)6(13)9-7(14)10-8/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)	C8H10N2O4	198.176	6	3	95.5	2	1	0	-0.847	-0.95271	1.68	-0.825	41.797	47.2362	1.324	171.456469422311
Cond-008964	NPE389	2-[4-Ethyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenothiazin-10-yl-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.4708499181	CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc12	InChI=1S/C26H25N5OS2/c1-3-30-24(16-27-19-14-12-18(2)13-15-19)28-29-26(30)33-17-25(32)31-20-8-4-6-10-22(20)34-23-11-7-5-9-21(23)31/h4-15,27H,3,16-17H2,1-2H3	C26H25N5OS2	487.64	6	1	113.65	5	8	1	0.9437	6.61256	3.44	7.064	53.9933	134.7877	3.5977	422.02433691633
Cond-008965	NPE39	1-[2-(acetyloxy)ethyl]-4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazinediium	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0927198766	[I-].[I-].CC(=O)OCC[N+]1(C)CC[N+](C)(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	InChI=1S/C26H36F2N2O2.2HI/c1-21(31)32-20-19-30(3)17-15-29(2,16-18-30)14-4-5-26(22-6-10-24(27)11-7-22)23-8-12-25(28)13-9-23;;/h6-13,26H,4-5,14-20H2,1-3H3;2*1H/q+2;;/p-2	C26H36F2I2N2O2	700.382	4	0	26.3	3	10	1	-1.8871	4.56399	3.66	5.404	68.983	124.3968	3.5406	435.273022184205
Cond-008966	NPE390	2-(4-fluorophenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4966816478	CC1=NN(C(=O)/C/1=C\NC12C[NH+]3C[NH+](C[NH+](C3)C1)C2)c1ccc(F)cc1	InChI=1S/C18H21FN6O/c1-13-16(17(26)25(21-13)15-4-2-14(19)3-5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/p+3/b16-6-	C18H24FN6O+++	359.421	7	4	58.02	2	3	0	-5.4853	-2.98433	2.56	1.44	61.123	96.4318	2.5835	316.17617110867
Cond-008967	NPE391	2-(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-N-undecyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2472367656	CCCCCCCCCCCNC(=O)Cc1c(O)c2c([nH]c1=O)cccc2	InChI=1S/C22H32N2O3/c1-2-3-4-5-6-7-8-9-12-15-23-20(25)16-18-21(26)17-13-10-11-14-19(17)24-22(18)27/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,23,25)(H2,24,26,27)	C22H32N2O3	372.501	5	3	78.43	2	13	2	-4.0548	5.59617000000001	3.33	6.266	66.9515	111.8982	3.1089	386.000651381486
Cond-008968	NPE392	2-(4-isopropoxyphenyl)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.5954109108	CC(C)Oc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NCCC[NH+]1CCOCC1	InChI=1S/C26H31N3O3/c1-19(2)32-21-10-8-20(9-11-21)25-18-23(22-6-3-4-7-24(22)28-25)26(30)27-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18-19H,5,12-17H2,1-2H3,(H,27,30)/p+1	C26H32N3O3+	434.551	6	2	64.89	4	9	0	-2.5531	3.14598000000001	3.66	4.495	57.0598	131.2224	3.4476	413.077285939519
Cond-008969	NPE393	2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-1,3-thiazolidine-4-carboylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.029473297	COc1ccc(cc1CN1CCOCC1)C1NC(CS1)C(=O)O	InChI=1S/C16H22N2O4S/c1-21-14-3-2-11(15-17-13(10-23-15)16(19)20)8-12(14)9-18-4-6-22-7-5-18/h2-3,8,13,15,17H,4-7,9-10H2,1H3,(H,19,20)	C16H22N2O4S	338.422	6	2	96.33	3	5	0	-0.2176	1.42439	2.45	0.722	64.9192	92.8845	2.4631	302.440453085246
Cond-008970	NPE394	2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4877539396	Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2c1cccc2	InChI=1S/C17H22N4O3/c1-13-14-4-2-3-5-15(14)17(23)21(19-13)12-16(22)18-6-7-20-8-10-24-11-9-20/h2-5H,6-12H2,1H3,(H,18,22)	C17H22N4O3	330.382	7	1	74.24	3	6	0	-1.6384	0.28319	2.56	1.115	64.2628	92.9797	2.4954	309.157789967685
Cond-008971	NPE395	2-[(4-methyl-2-oxo-2H-chromene-7-yl)oxy]butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0339333747	CCC(Oc1cc2c(cc1)c(C)cc(=O)o2)C(=O)O	InChI=1S/C14H14O5/c1-3-11(14(16)17)18-9-4-5-10-8(2)6-13(15)19-12(10)7-9/h4-7,11H,3H2,1-2H3,(H,16,17)	C14H14O5	262.258	5	1	72.83	2	4	0	-0.071300000000001	2.80287	2.45	2.379	41.7887	72.3128000000001	1.8995	243.219707359339
Cond-008972	NPE396	2-(4-methyl-2-oxochromen-7-yloxy)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2158724131	Cc1cc(=O)oc2cc(OCC(=O)O)ccc12	InChI=1S/C12H10O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)	C12H10O5	234.205	5	1	72.83	2	3	0	0.1207	2.02427	2.23	1.495	34.2176	63.1008	1.6177	208.627738107606
Cond-008973	NPE397	2-{4-methyl-5-[(2-methylindol-3-ylthio)methyl](1,2,4-triazol-3-ylthio)}-N-[3-(trifluoromethyl)phenyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	15.7702802642	Cn1c(CSc2c(C)[nH]c3c2cccc3)nnc1SCC(=O)Nc1cccc(c1)C(F)(F)F	InChI=1S/C22H20F3N5OS2/c1-13-20(16-8-3-4-9-17(16)26-13)32-11-18-28-29-21(30(18)2)33-12-19(31)27-15-7-5-6-14(10-15)22(23,24)25/h3-10,26H,11-12H2,1-2H3,(H,27,31)	C22H20F3N5OS2	491.552	6	2	126.2	4	9	1	1.5889	5.22897000000001	2.67	6.417	56.3645	120.6437	3.2818	388.672451066182
Cond-008974	NPE398	2-[4-Methyl-5-(2-oxo-2-phenyl-ethylsulfanyl)-4H-1,2,4-triazol-3-ylmethyl]-4H-1,4-benzothiazin-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5679421869	Cn1c(CC2Sc3ccccc3NC2=O)nnc1SCC(=O)c1ccccc1	InChI=1S/C20H18N4O2S2/c1-24-18(11-17-19(26)21-14-9-5-6-10-16(14)28-17)22-23-20(24)27-12-15(25)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,21,26)	C20H18N4O2S2	410.513	6	1	127.48	4	6	0	-0.2488	5.08996	2.78	4.777	47.7656	116.4882	2.9058	344.571271755924
Cond-008975	NPE399	2-(4-Methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-phenyl-acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2029618379	Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1	InChI=1S/C16H21N5O2S/c1-20-14(11-21-7-9-23-10-8-21)18-19-16(20)24-12-15(22)17-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,22)	C16H21N5O2S	347.435	7	1	97.58	3	7	0	-0.213399999999999	2.17076	2.34	1.928	56.4698	93.6247	2.5591	301.677362907024
Cond-008976	NPE4	10-butyl-9-hydroxy-5,6-dihydro-4H,8H,11H-pyrano[3,2-c]pyrido[3,2,1-ij]quinoline-8,11-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5512793986	CCCCc1c(O)c2c(oc1=O)c1c3n(CCCc3ccc1)c2=O	InChI=1S/C19H19NO4/c1-2-3-8-13-16(21)14-17(24-19(13)23)12-9-4-6-11-7-5-10-20(15(11)12)18(14)22/h4,6,9,21H,2-3,5,7-8,10H2,1H3	C19H19NO4	325.358	5	1	66.84	4	3	0	-1.8677	3.75406	3	3.876	61.9399	91.6428	2.3849	304.556787893879
Cond-008977	NPE40	1-(2-Adamantan-1-yl-ethyl)-5,7-dimethyl-2-phenyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.5736361508	Cn1c2nc3[n+](CCC45CC6CC(CC(C6)C4)C5)c(c[n+]3c2c(=O)n(C)c1=O)c1ccccc1	InChI=1S/C27H31N5O2/c1-29-23-22(24(33)30(2)26(29)34)32-16-21(20-6-4-3-5-7-20)31(25(32)28-23)9-8-27-13-17-10-18(14-27)12-19(11-17)15-27/h3-7,16-19H,8-15H2,1-2H3/q+2	C27H31N5O2++	457.567	7	0	52.98	4	3	1	-3.4201	3.57557	3.66	10.039	95.955	138.457	3.3821	NA
Cond-008978	NPE400	2-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6579255444	Cc1ccc(cc1)C1=[N+](CC[NH+]2CCOCC2)C2=Nc3ccccc3[N+]2=C1	InChI=1S/C22H24N4O/c1-17-6-8-18(9-7-17)21-16-26-20-5-3-2-4-19(20)23-22(26)25(21)11-10-24-12-14-27-15-13-24/h2-9,16H,10-15H2,1H3/q+2/p+1	C22H25N4O+++	361.46	5	1	32.05	5	4	1	-1.4292	1.0386	3.33	5.882	55.1482	110.8937	2.8008	338.489654243097
Cond-008979	NPE401	2-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-1,2,3-trihydroquinazolin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.3715199621	Cc1ccc(cc1)C1Nc2c(cccc2)C(=O)N1CCCN1CCOCC1	InChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)21-23-20-6-3-2-5-19(20)22(26)25(21)12-4-11-24-13-15-27-16-14-24/h2-3,5-10,21,23H,4,11-16H2,1H3	C22H27N3O2	365.469	5	1	44.81	4	5	0	-0.6403	2.63071	3.33	4.542	55.123	108.0437	2.8898	349.957808786691
Cond-008980	NPE402	2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4,6-diamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	48.4072234125	Cc1ccc(CSc2nc(N)cc(N)n2)cc1	InChI=1S/C12H14N4S/c1-8-2-4-9(5-3-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H4,13,14,15,16)	C12H14N4S	246.331	4	4	103.12	2	3	0	-0.2556	2.4322	2.23	3.362	26.452	71.8258	1.8869	216.272669495067
Cond-008981	NPE403	2-(4-oxo-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-ylthio)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.2209471349	NC(=O)CSc1nc2c(c(=O)n1CC=C)C1(CCCCC1)Cc1ccccc21	InChI=1S/C22H25N3O2S/c1-2-12-25-20(27)18-19(24-21(25)28-14-17(23)26)16-9-5-4-8-15(16)13-22(18)10-6-3-7-11-22/h2,4-5,8-9H,1,3,6-7,10-14H2,(H2,23,26)	C22H25N3O2S	395.518	5	2	101.06	4	5	0	-0.436	3.48437	3.22	4.566	82.4109	115.4924	3.0103	376.730374143491
Cond-008982	NPE404	2-(4-oxo-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-ylthio)ethanenitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.6897282444	C=CCn1c(=O)c2c(nc1SCC#N)c1ccccc1CC12CCCCC1	InChI=1S/C22H23N3OS/c1-2-13-25-20(26)18-19(24-21(25)27-14-12-23)17-9-5-4-8-16(17)15-22(18)10-6-3-7-11-22/h2,4-5,8-9H,1,3,6-7,10-11,13-15H2	C22H23N3OS	377.503	4	0	81.76	4	4	1	0.2335	4.35497	3.33	5.405	81.168	110.186	2.9086	365.30368874213
Cond-008983	NPE405	2-(4-oxo-4-phenyl-butylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9968733476	O=C(CCCSc1c(cc2CCCCCc2n1)C#N)c1ccccc1	InChI=1S/C21H22N2OS/c22-15-18-14-17-10-5-2-6-11-19(17)23-21(18)25-13-7-12-20(24)16-8-3-1-4-9-16/h1,3-4,8-9,14H,2,5-7,10-13H2	C21H22N2OS	350.477	3	0	79.05	3	6	1	-0.426099999999999	5.44878	3.33	6.109	49.5631	103.5005	2.7765	338.467402608896
Cond-008984	NPE406	2-(4-phenylpyrimidin-2-ylthio)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.042615654	[O-]C(=O)CSc1nccc(n1)c1ccccc1	InChI=1S/C12H10N2O2S/c15-11(16)8-17-12-13-7-6-10(14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/p-1	C12H9N2O2S-	245.277	4	0	91.21	2	4	0	-0.5288	0.700980000000001	2.23	2.874	17.297	62.978	1.7402	207.904914428656
Cond-008985	NPE407	2-{[5-(10H-phenothiazin-10-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7334513939	O=C(CSc1nnc(CN2c3ccccc3Sc3c2cccc3)o1)c1ccccc1	InChI=1S/C23H17N3O2S2/c27-19(16-8-2-1-3-9-16)15-29-23-25-24-22(28-23)14-26-17-10-4-6-12-20(17)30-21-13-7-5-11-18(21)26/h1-13H,14-15H2	C23H17N3O2S2	431.53	5	0	109.83	5	6	1	0.5863	5.32956	3.22	7.05	34.7243	113.945	3.0341	356.933089322957
Cond-008986	NPE408	2-({5-[2-(4-chlorophenyl)-2-oxoethylthio]-4-methyl-1,2,4-triazol-3-yl}methyl)-2H,4H-benzo[e]1,4-thiazin-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1974998816	Cn1c(CC2Sc3ccccc3NC2=O)nnc1SCC(=O)c1ccc(Cl)cc1	InChI=1S/C20H17ClN4O2S2/c1-25-18(10-17-19(27)22-14-4-2-3-5-16(14)29-17)23-24-20(25)28-11-15(26)12-6-8-13(21)9-7-12/h2-9,17H,10-11H2,1H3,(H,22,27)	C20H17ClN4O2S2	444.958	6	1	127.48	4	6	0	0.4955	5.74336	2.67	4.24	53.3812	121.4982	3.0282	359.782339526357
Cond-008987	NPE409	2-{[5-(2-fluorophenyl)-2-furyl]methylene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9873353189	Fc1c(cccc1)c1ccc(o1)/C=c/1\sc2nc(=O)c3c(sc4c3CCCC4)n2c1=O	InChI=1S/C23H15FN2O3S2/c24-15-7-3-1-5-13(15)16-10-9-12(29-16)11-18-21(28)26-22-19(20(27)25-23(26)31-18)14-6-2-4-8-17(14)30-22/h1,3,5,7,9-11H,2,4,6,8H2/b18-11-	C23H15FN2O3S2	450.505	5	0	116.42	6	2	1	0.418399999999999	5.84165	3.11	5.572	61.248	126.128	2.9451	361.974114665658
Cond-008988	NPE41	12-amino-2-benzyl-12-oxododecanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7989432833	NC(=O)CCCCCCCCCC(Cc1ccccc1)C(=O)[O-]	InChI=1S/C19H29NO3/c20-18(21)14-10-5-3-1-2-4-9-13-17(19(22)23)15-16-11-7-6-8-12-16/h6-8,11-12,17H,1-5,9-10,13-15H2,(H2,20,21)(H,22,23)/p-1	C19H28NO3-	318.431	4	2	83.22	1	13	2	-3.1015	2.82529	3.11	5.98	50.1414	92.6334000000001	2.7165	336.790625346918
Cond-008989	NPE410	2-[5-(2-Fluoro-phenyl)-furan-2-ylmethylene]-6,7,8,9-tetrahydro-3,10-dithia-4,10b-diaza-cyclopenta[a]fluorene-1,5-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.6651837977	Fc1ccccc1c1ccc(o1)/C=c/1\sc2nc(=O)c3c(sc4c3CCCC4)n2c1=O	InChI=1S/C23H15FN2O3S2/c24-15-7-3-1-5-13(15)16-10-9-12(29-16)11-18-21(28)26-22-19(20(27)25-23(26)31-18)14-6-2-4-8-17(14)30-22/h1,3,5,7,9-11H,2,4,6,8H2/b18-11-	C23H15FN2O3S2	450.505	5	0	116.42	6	2	1	0.418399999999999	5.84165	3.11	5.572	61.248	126.128	2.9451	361.974114665658
Cond-008990	NPE411	2-[5-(3-Chloro-4-methyl-phenyl)-furan-2-yl]-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.93467572	Cc1ccc(cc1Cl)c1ccc(o1)c1nc2c(c3c(CCCC3)s2)c(=O)[nH]1	InChI=1S/C21H17ClN2O2S/c1-11-6-7-12(10-14(11)22)15-8-9-16(26-15)19-23-20(25)18-13-4-2-3-5-17(13)27-21(18)24-19/h6-10H,2-5H2,1H3,(H,23,24,25)	C21H17ClN2O2S	396.89	4	1	82.84	5	2	1	0.9647	5.23059	3.11	5.02	49.3108	114.3017	2.7404	326.855779678291
Cond-008991	NPE412	2-(5-{3-(tert-butyl)-1-[(3-methylphenyl)methyl]pyrazol-5-yl}-4-cyclohexyl-1,2,4-triazol-3-ylthio)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5002847921	Cc1cc(Cn2nc(cc2c2nnc(SCC(=O)O)n2C2CCCCC2)C(C)(C)C)ccc1	InChI=1S/C25H33N5O2S/c1-17-9-8-10-18(13-17)15-29-20(14-21(28-29)25(2,3)4)23-26-27-24(33-16-22(31)32)30(23)19-11-6-5-7-12-19/h8-10,13-14,19H,5-7,11-12,15-16H2,1-4H3,(H,31,32)	C25H33N5O2S	467.627	7	1	111.13	4	8	1	0.8948	6.40057000000001	3.33	6.809	72.6678	132.7968	3.6326	428.811848437425
Cond-008992	NPE413	2-{5-[3-(trifluoromethyl)phenyl](1,2,3,4-tetraazol-2-yl)}-N-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.6641991126	FC(F)(F)c1cccc(c1)S(=O)(=O)NNC(=O)Cn1nnc(n1)c1cccc(c1)C(F)(F)F	InChI=1S/C17H12F6N6O3S/c18-16(19,20)11-4-1-3-10(7-11)15-25-27-29(26-15)9-14(30)24-28-33(31,32)13-6-2-5-12(8-13)17(21,22)23/h1-8,28H,9H2,(H,24,30)	C17H12F6N6O3S	494.371	9	2	127.25	3	9	1	0.4363	2.90657	1.57	5.547	38.9123	97.4714	2.8357	356.356311441056
Cond-008993	NPE414	2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-yl]sulfanyl}-N-(1,2-dihydroacenaphthylene-5-yl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.834264432	CCn1c(SCC(=O)Nc2ccc3CCc4c3c2ccc4)nnc1c1ccc(N)cc1	InChI=1S/C24H23N5OS/c1-2-29-23(17-8-11-18(25)12-9-17)27-28-24(29)31-14-21(30)26-20-13-10-16-7-6-15-4-3-5-19(20)22(15)16/h3-5,8-13H,2,6-7,14,25H2,1H3,(H,26,30)	C24H23N5OS	429.537	6	3	111.13	5	7	1	-0.5052	5.65565	3.33	6.114	46.6384	128.3581	3.1954	371.559802307797
Cond-008994	NPE415	2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-yl]sulfanyl}-N-dibenzo[b,d]furan-3-ylacetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	16.6264340069	CCn1c(SCC(=O)Nc2ccc3c(oc4ccccc34)c2)nnc1c1ccc(N)cc1	InChI=1S/C24H21N5O2S/c1-2-29-23(15-7-9-16(25)10-8-15)27-28-24(29)32-14-22(30)26-17-11-12-19-18-5-3-4-6-20(18)31-21(19)13-17/h3-13H,2,14,25H2,1H3,(H,26,30)	C24H21N5O2S	443.521	7	3	124.27	5	7	1	-0.7841	6.22934	3.22	5.199	38.5267	132.8851	3.2111	366.813570307558
Cond-008995	NPE416	2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazole-3-yl]sulfanyl}-1-{4-nitrophenyl}ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7076120192	Cn1c(SCC(=O)c2ccc(cc2)N(=O)=O)nnc1c1ccc(N)cc1	InChI=1S/C17H15N5O3S/c1-21-16(12-2-6-13(18)7-3-12)19-20-17(21)26-10-15(23)11-4-8-14(9-5-11)22(24)25/h2-9H,10,18H2,1H3	C17H15N5O3S	369.398	8	2	142.24	3	6	0	0.1507	3.06676	2.34	3.652	34.4083	102.5154	2.5867	306.317739430252
Cond-008996	NPE417	2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9600892016	CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C22H22ClN5O2S2/c1-2-28-19(12-30-15-9-7-14(23)8-10-15)26-27-22(28)31-13-20(29)25-21-17(11-24)16-5-3-4-6-18(16)32-21/h7-10H,2-6,12-13H2,1H3,(H,25,29)	C22H22ClN5O2S2	488.025	7	1	146.37	4	9	0	1.089	5.05645000000001	2.78	4.407	73.7649	123.8847	3.4098	405.371068986258
Cond-008997	NPE418	2-{[5-(4-chlorophenyl)(1,3,4-oxadiazol-2-yl)]methylthio}-4,5-diphenyl-1,3-oxazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0752129452	Clc1ccc(cc1)c1nnc(CSc2nc(c(o2)c2ccccc2)c2ccccc2)o1	InChI=1S/C24H16ClN3O2S/c25-19-13-11-18(12-14-19)23-28-27-20(29-23)15-31-24-26-21(16-7-3-1-4-8-16)22(30-24)17-9-5-2-6-10-17/h1-14H,15H2	C24H16ClN3O2S	445.921	5	0	90.25	5	6	1	1.0383	7.51337	3.33	9.238	21.3595	122.617	3.0909	357.394658960857
Cond-008998	NPE419	2-({5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl}methyl)-2H,4H-benzo[e]1,4-thiazin-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.9645816563	Cn1c(CC2Sc3ccccc3NC2=O)nnc1SCc1ccc(Cl)cc1	InChI=1S/C19H17ClN4OS2/c1-24-17(10-16-18(25)21-14-4-2-3-5-15(14)27-16)22-23-19(24)26-11-12-6-8-13(20)9-7-12/h2-9,16H,10-11H2,1H3,(H,21,25)	C19H17ClN4OS2	416.947	5	1	110.41	4	5	0	0.9727	5.72116	2.67	4.955	48.1854	115.2487	2.8716	336.332586900729
Cond-008999	NPE42	1-(2-Biphenyl-4-yl-2-oxo-ethyl)-3-(3-trifluoromethyl-benzyl)-imidazolidine-2,4,5-trione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.999100336	FC(F)(F)c1cc(CN2C(=O)N(CC(=O)c3ccc(cc3)c3ccccc3)C(=O)C2=O)ccc1	InChI=1S/C25H17F3N2O4/c26-25(27,28)20-8-4-5-16(13-20)14-29-22(32)23(33)30(24(29)34)15-21(31)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-13H,14-15H2	C25H17F3N2O4	466.409	6	0	74.76	4	7	1	-0.2306	4.14779	3.22	8.069	40.8804	117.9045	3.12520000000001	399.913380203366
Cond-009000	NPE420	2-[5-(5,6-Dihydro-pyrrolo[1,2-c]quinazolin-5-yl)-furan-2-ylmethyl]-isoindole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.634089587	O=C1N(Cc2ccc(o2)C2Nc3c(cccc3)c3cccn23)C(=O)c2c1cccc2	InChI=1S/C24H17N3O3/c28-23-16-6-1-2-7-17(16)24(29)27(23)14-15-11-12-21(30-15)22-25-19-9-4-3-8-18(19)20-10-5-13-26(20)22/h1-13,22,25H,14H2	C24H17N3O3	395.41	6	1	67.48	6	3	1	-1.1758	4.87698	3.44	5.265	28.0898	116.4072	2.7981	333.644793833385
Cond-009001	NPE421	2-{[5-(5-chloro-2-methoxyphenyl)-2-furyl]methylene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5029267151	COc1ccc(Cl)cc1c1ccc(o1)/C=c/1\sc2nc(=O)c3c(sc4c3CCCC4)n2c1=O	InChI=1S/C24H17ClN2O4S2/c1-30-16-8-6-12(25)10-15(16)17-9-7-13(31-17)11-19-22(29)27-23-20(21(28)26-24(27)33-19)14-4-2-3-5-18(14)32-23/h6-11H,2-5H2,1H3/b19-11-	C24H17ClN2O4S2	496.986	6	0	125.65	6	3	1	0.631199999999999	6.36455	3.11	5.054	73.3069	137.732	3.2494	397.203834912213
Cond-009002	NPE422	2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7202693476	OC(=O)CCC(N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)O	InChI=1S/C13H9Cl2NO6/c14-7-3-5-6(4-8(7)15)12(20)16(11(5)19)9(13(21)22)1-2-10(17)18/h3-4,9H,1-2H2,(H,17,18)(H,21,22)	C13H9Cl2NO6	346.12	7	2	111.98	2	5	0	-0.1596	2.14129	1.9	0.727	48.8364	78.4986	2.1189	273.496386482267
Cond-009003	NPE423	2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-yl)sulfanyl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6361358255	CC(Sc1nn2c(n1)nc(C)cc2C)C(=O)O	InChI=1S/C10H12N4O2S/c1-5-4-6(2)14-9(11-5)12-10(13-14)17-7(3)8(15)16/h4,7H,1-3H3,(H,15,16)	C10H12N4O2S	252.293	6	1	105.68	2	3	0	1.1372	1.73751	1.79	1.421	38.5973	63.5668	1.7655	201.897612345256
Cond-009004	NPE424	2-[(5-allyl-5H-indolo[2,3-e][1,2,4]triazine-3-yl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]acetoamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.659815619	NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(nn2)c2ccccc2n3CC=C)cc1	InChI=1S/C20H18N6O3S2/c1-2-11-26-16-6-4-3-5-15(16)18-19(26)23-20(25-24-18)30-12-17(27)22-13-7-9-14(10-8-13)31(21,28)29/h2-10H,1,11-12H2,(H,22,27)(H2,21,28,29)	C20H18N6O3S2	454.525	9	3	166.54	4	8	0	-0.4502	3.49934	2.45	2.923	48.696	115.7321	3.1211	361.818560172019
Cond-009005	NPE425	2-(5-amino-1H-tetraazole-1-yl)-N'-[3-iodo-5-methoxy-4-(2-propynyloxy)benzylidene]acetohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.0321223173	COc1c(OCC#C)c(I)cc(/C=N/NC(=O)Cn2nnnc2N)c1	InChI=1S/C14H14IN7O3/c1-3-4-25-13-10(15)5-9(6-11(13)24-2)7-17-18-12(23)8-22-14(16)19-20-21-22/h1,5-7H,4,8H2,2H3,(H,18,23)(H2,16,19,21)/b17-7+	C14H14IN7O3	455.211	10	3	129.54	2	8	0	0.3832	0.647160000000001	1.79	1.677	62.0321	102.4591	2.6099	309.08400098325
Cond-009006	NPE426	2-[(5-benzyl-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3949421326	Cc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1	InChI=1S/C24H27N3OS/c1-18-12-14-20(15-13-18)22(28)17-29-24-26-25-23(16-19-8-4-2-5-9-19)27(24)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3	C24H27N3OS	405.556	4	0	73.08	4	7	1	-0.647800000000002	5.45609000000001	3.55	8.992	48.9229	116.529	3.1904	378.095657993864
Cond-009007	NPE427	2-[(5-benzyl-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.3317724186	O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1c(C#N)c2c(CCCC2)s1	InChI=1S/C26H29N5OS2/c27-16-21-20-13-7-8-14-22(20)34-25(21)28-24(32)17-33-26-30-29-23(15-18-9-3-1-4-10-18)31(26)19-11-5-2-6-12-19/h1,3-4,9-10,19H,2,5-8,11-15,17H2,(H,28,32)	C26H29N5OS2	491.671	6	1	137.14	5	8	1	-1.2935	5.55126000000001	3.44	7.262	74.6488	131.4707	3.6837	438.19725431793
Cond-009008	NPE428	2-({[5-(benzylsulfanyl)-1,3,4-oxadiazole-2-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1038542133	Cc1cc(C)nc2nc(SCc3nnc(o3)SCc3ccccc3)nn12	InChI=1S/C17H16N6OS2/c1-11-8-12(2)23-15(18-11)19-16(22-23)25-10-14-20-21-17(24-14)26-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3	C17H16N6OS2	384.479	7	0	132.6	4	6	1	1.9425	4.09211	2.34	5.561	40.9935	98.067	2.667	297.623070294896
Cond-009009	NPE429	2-[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-ylthio]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.7997537762	Cn1c(Cn2c3c(cccc3)c3c2cccc3)nnc1SCC(=O)O	InChI=1S/C18H16N4O2S/c1-21-16(19-20-18(21)25-11-17(23)24)10-22-14-8-4-2-6-12(14)13-7-3-5-9-15(13)22/h2-9H,10-11H2,1H3,(H,23,24)	C18H16N4O2S	352.41	6	1	98.24	4	5	0	0.2893	3.89766	2.67	4.249	35.7797	99.1718	2.5035	283.20673714739
Cond-009010	NPE43	1-{2-[Bis-(2-hydroxy-2-phenyl-ethyl)-amino]-ethyl}-imidazolidin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3704195937	OC(CN(CCN1CCNC1=O)CC(O)c1ccccc1)c1ccccc1	InChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)	C21H27N3O3	369.457	6	3	76.04	3	9	0	-1.5663	0.696590000000001	3.11	3.607	53.0388	105.5133	2.91620000000001	353.808509562186
Cond-009011	NPE430	2-(5-carboxypentyl)-1,3-dioxobenzo[c]azolidine-5-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.7935796142	OC(=O)CCCCCN1C(=O)c2ccc(cc2C1=O)C(=O)O	InChI=1S/C15H15NO6/c17-12(18)4-2-1-3-7-16-13(19)10-6-5-9(15(21)22)8-11(10)14(16)20/h5-6,8H,1-4,7H2,(H,17,18)(H,21,22)	C15H15NO6	305.283	7	2	111.98	2	7	0	-2.0555	1.59419	2.34	1.003	44.8178	77.8936000000001	2.1559	277.666220193134
Cond-009012	NPE431	2-(5-chloro-1,3-benzoxazol-2-yl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)acrylaldehyde	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.424818946	Clc1ccc2oc(nc2c1)/C(=C/NC12C[NH+]3C[NH+](C[NH+](C3)C1)C2)/C=O	InChI=1S/C17H18ClN5O2/c18-13-1-2-15-14(3-13)20-16(25-15)12(5-24)4-19-17-6-21-9-22(7-17)11-23(8-17)10-21/h1-5,19H,6-11H2/p+3/b12-4+	C17H21ClN5O2+++	362.834	7	4	68.45	2	4	0	-4.8367	-2.62623	2.45	0.914	54.3101	94.2388	2.5062	294.917161895324
Cond-009013	NPE432	2-({[5-(cinnamylsulfanyl)-4-methyl-4H-1,2,4-triazole-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.9866503426	Cn1c(CSc2nc3c(c4c(CCCC4)s3)c(=O)[nH]2)nnc1SC/C=C/c1ccccc1	InChI=1S/C23H23N5OS3/c1-28-18(26-27-23(28)30-13-7-10-15-8-3-2-4-9-15)14-31-22-24-20(29)19-16-11-5-6-12-17(16)32-21(19)25-22/h2-4,7-10H,5-6,11-14H2,1H3,(H,24,25,29)/b10-7+	C23H23N5OS3	481.657	6	1	151.01	5	7	1	2.0386	5.83935	3	7.048	80.4998	139.4277	3.4245	404.81832449793
Cond-009014	NPE433	2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-methyl-3-isoxazolyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4163586278	CCn1c2ccccc2c2c1nc(SCC(=O)Nc1noc(C)c1)nn2	InChI=1S/C17H16N6O2S/c1-3-23-12-7-5-4-6-11(12)15-16(23)19-17(21-20-15)26-9-14(24)18-13-8-10(2)25-22-13/h4-8H,3,9H2,1-2H3,(H,18,22,24)	C17H16N6O2S	368.413	8	1	124.03	4	6	0	0.405300000000001	3.80447	2.34	3.421	40.0371	101.6487	2.5622	287.904272937857
Cond-009015	NPE434	({[({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]methyl}sulfanyl)sulfonate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6397711487	COc1cc2c([nH]cc2CCNC(=O)CNC(=O)CSS(=O)(=O)O)cc1	InChI=1S/C15H19N3O6S2/c1-24-11-2-3-13-12(6-11)10(7-17-13)4-5-16-14(19)8-18-15(20)9-25-26(21,22)23/h2-3,6-7,17H,4-5,8-9H2,1H3,(H,16,19)(H,18,20)(H,21,22,23)	C15H19N3O6S2	401.458	9	4	171.27	2	11	1	-1.8291	1.72538	1.9	-0.871	62.4997	103.3412	2.7255	328.414247425468
Cond-009016	NPE435	2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.572459685	Cc1cc2nnc(SCC(=O)Nc3cc(ccc3)C(F)(F)F)n2c2c1cccc2	InChI=1S/C20H15F3N4OS/c1-12-9-17-25-26-19(27(17)16-8-3-2-7-15(12)16)29-11-18(28)24-14-6-4-5-13(10-14)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)	C20H15F3N4OS	416.42	5	1	84.59	4	6	1	1.5073	4.99128	2.67	6.655	34.6317	104.3317	2.7367	324.574697548682
Cond-009017	NPE436	[2-(5-methyl(2-furyl))(4-quinolyl)]-N-{5-methyl-4-[4-(2-methylpropyl)phenyl](1,3-thiazol-2-yl)}carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0781966793	CC(C)Cc1ccc(cc1)c1c(C)sc(NC(=O)c2cc(nc3ccccc23)c2ccc(C)o2)n1	InChI=1S/C29H27N3O2S/c1-17(2)15-20-10-12-21(13-11-20)27-19(4)35-29(31-27)32-28(33)23-16-25(26-14-9-18(3)34-26)30-24-8-6-5-7-22(23)24/h5-14,16-17H,15H2,1-4H3,(H,31,32,33)	C29H27N3O2S	481.609	5	1	96.26	5	7	1	1.5748	8.09390000000001	3.99	9.33	47.3415	147.1317	3.673	428.663514319758
Cond-009018	NPE437	2-(5-methyl-2-furyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0775213655	Cc1ccc(o1)c1nc2ccccc2c(c1)C(=O)Nc1nc(c(C)s1)c1ccc(C)cc1	InChI=1S/C26H21N3O2S/c1-15-8-11-18(12-9-15)24-17(3)32-26(28-24)29-25(30)20-14-22(23-13-10-16(2)31-23)27-21-7-5-4-6-19(20)21/h4-14H,1-3H3,(H,28,29,30)	C26H21N3O2S	439.529	5	1	96.26	5	5	1	1.3227	6.92342000000001	3.66	7.684	33.8212	132.2297	3.2503	376.775560442158
Cond-009019	NPE438	2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5745290268	COc1ccc(CCNC(=O)CSc2c(ccc(n2)c2ccc3OCOc3c2)C#N)cc1OC	InChI=1S/C25H23N3O5S/c1-30-20-7-3-16(11-22(20)31-2)9-10-27-24(29)14-34-25-18(13-26)4-6-19(28-25)17-5-8-21-23(12-17)33-15-32-21/h3-8,11-12H,9-10,14-15H2,1-2H3,(H,27,29)	C25H23N3O5S	477.532	8	1	128	4	10	0	-0.3504	4.43258	3.22	3.54	57.2633	131.9577	3.4371	422.643173319574
Cond-009020	NPE439	2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]thio}-N-(2-phenoxyethyl)acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.6270870689	O=C(CSc1nc2ccc(cc2s1)N1C(=O)c2ccccc2C1=O)NCCOc1ccccc1	InChI=1S/C25H19N3O4S2/c29-22(26-12-13-32-17-6-2-1-3-7-17)15-33-25-27-20-11-10-16(14-21(20)34-25)28-23(30)18-8-4-5-9-19(18)24(28)31/h1-11,14H,12-13,15H2,(H,26,29)	C25H19N3O4S2	489.566	7	1	142.14	5	9	1	-0.5446	4.95716	3.22	5.262	51.017	134.8697	3.39030000000001	406.469053275013
Cond-009021	NPE44	1,2-Bis-(5,6-dimethyl-1H-benzimidazol-2-yl)-ethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	87.0607747897	Cc1c(C)cc2nc(CC(O)c3nc4cc(C)c(C)cc4[nH]3)[nH]c2c1	InChI=1S/C20H22N4O/c1-10-5-14-15(6-11(10)2)22-19(21-14)9-18(25)20-23-16-7-12(3)13(4)8-17(16)24-20/h5-8,18,25H,9H2,1-4H3,(H,21,22)(H,23,24)	C20H22N4O	334.415	5	3	77.59	4	3	0	0.928500000000001	2.79276	3.11	4.801	37.4825	98.8868	2.6061	293.135914341763
Cond-009022	NPE440	2-[6-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-6-oxohexyl]-1H-isoindole-1,3(2H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.964394663	C[NH+]1CCC2C(C1)c1cc(C)ccc1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O	InChI=1S/C27H31N3O3/c1-18-11-12-23-21(16-18)22-17-28(2)15-13-24(22)30(23)25(31)10-4-3-7-14-29-26(32)19-8-5-6-9-20(19)27(29)33/h5-6,8-9,11-12,16,22,24H,3-4,7,10,13-15,17H2,1-2H3/p+1	C27H32N3O3+	446.561	6	1	62.13	5	7	0	-3.5316	2.78390000000001	3.77	4.576	67.5562	129.0572	3.4799	428.916811864586
Cond-009023	NPE441	2-({6-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-6-oxohexanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.7689768977	OC(=O)c1c(NC(=O)CCCCC(=O)Nc2c(C(=O)O)c3c(CCC3)s2)sc2c1CCC2	InChI=1S/C22H24N2O6S2/c25-15(23-19-17(21(27)28)11-5-3-7-13(11)31-19)9-1-2-10-16(26)24-20-18(22(29)30)12-6-4-8-14(12)32-20/h1-10H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	C22H24N2O6S2	476.566	8	4	189.28	4	11	1	-1.0144	4.34707	2.78	2.712	84.2878	122.1505	3.3088	408.503544795169
Cond-009024	NPE442	2-[6-(4-chlorophenyl)-4-methylpyrimidin-2-ylthio]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6516240776	Cc1nc(SCC(=O)O)nc(c1)c1ccc(Cl)cc1	InChI=1S/C13H11ClN2O2S/c1-8-6-11(9-2-4-10(14)5-3-9)16-13(15-8)19-7-12(17)18/h2-6H,7H2,1H3,(H,17,18)	C13H11ClN2O2S	294.757	4	1	88.38	2	4	0	1.3328	3.58219	2.23	3.315	30.9229	76.6048	2.025	241.730196175356
Cond-009025	NPE443	2-(6-Amino-purin-9-yl)-5-isobutylsulfanylmethyl-tetrahydro-furan-3,4-diol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.908676666	CC(C)CSCC1OC(C(O)C1O)n1cnc2c1ncnc2N	InChI=1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)	C14H21N5O3S	339.413	8	4	144.61	3	5	0	-0.6437	0.940890000000001	2.01	0.52	58.7253	89.392	2.422	281.148537757451
Cond-009026	NPE444	2-(6-chloro-4-phenylquinazolin-2-ylthio)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7941190397	[O-]C(=O)CSc1nc2ccc(Cl)cc2c(n1)c1ccccc1	InChI=1S/C16H11ClN2O2S/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-16(18-13)22-9-14(20)21/h1-8H,9H2,(H,20,21)/p-1	C16H10ClN2O2S-	329.781	4	0	91.21	3	4	0	0.2155	2.91277	2.56	4.387	22.9126	86.535	2.2316	263.770544600156
Cond-009027	NPE445	2,6-Dimethoxy-4-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-ylmethyl]-phenol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8072906778	COc1ccc(cc1)[S](=O)(O)N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1	InChI=1S/C20H28N2O6S/c1-26-16-4-6-17(7-5-16)29(24,25)22-10-8-21(9-11-22)14-15-12-18(27-2)20(23)19(13-15)28-3/h4-7,12-13,23,29H,8-11,14H2,1-3H3,(H,24,25)	C20H27N2O6S	423.503	8	2	91.7	3	7	0	-1.1954	1.95869000000001	2.67	1.232	57.1917	106.5181	3.1011	375.668386289036
Cond-009028	NPE446	2-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-1-(1,2,3,4-tetrahydro-carbazol-9-yl)-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1102569578	CCOc1ccc2nc(SCC(=O)n3c4ccccc4c4c3CCCC4)sc2c1	InChI=1S/C23H22N2O2S2/c1-2-27-15-11-12-18-21(13-15)29-23(24-18)28-14-22(26)25-19-9-5-3-7-16(19)17-8-4-6-10-20(17)25/h3,5,7,9,11-13H,2,4,6,8,10,14H2,1H3	C23H22N2O2S2	422.563	4	0	97.66	5	6	1	0.285200000000002	6.17286000000001	3.33	5.742	54.3405	121.475	3.0633	353.845705217191
Cond-009029	NPE447	2-[7-(carboxymethoxy)-4-oxo-1,2,3-trihydrocyclopenta[2,1-c]chromen-9-yloxy]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3528576164	OC(=O)COc1cc2c(c3c(CCC3)c(=O)o2)c(OCC(=O)O)c1	InChI=1S/C16H14O8/c17-13(18)6-22-8-4-11(23-7-14(19)20)15-9-2-1-3-10(9)16(21)24-12(15)5-8/h4-5H,1-3,6-7H2,(H,17,18)(H,19,20)	C16H14O8	334.278	8	2	119.36	3	6	0	-1.3691	2.70537	2.34	0.633	53.6133	86.4746000000001	2.2058	289.189439311156
Cond-009030	NPE448	2-{[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	34.5724037967	Cc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)F)C(=O)N1CCc2ccccc2C1	InChI=1S/C24H20F2N4O/c1-15-6-8-17(9-7-15)20-12-21(22(25)26)30-23(28-20)19(13-27-30)24(31)29-11-10-16-4-2-3-5-18(16)14-29/h2-9,12-13,22H,10-11,14H2,1H3	C24H20F2N4O	418.439	5	0	50.5	5	4	1	0.903000000000001	4.76170000000001	3.33	6.903	35.2627	116.626	2.9675	354.189135742643
Cond-009031	NPE449	2-[(7-Hydroxy-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c][1]benzopyran-6-ylmethyl)-amino]-4-methyl-pentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8090273664	CC(C)CC(NCc1c2oc(=O)c3c(CCC3)c2ccc1O)C(=O)O	InChI=1S/C19H23NO5/c1-10(2)8-15(18(22)23)20-9-14-16(21)7-6-12-11-4-3-5-13(11)19(24)25-17(12)14/h6-7,10,15,20-21H,3-5,8-9H2,1-2H3,(H,22,23)	C19H23NO5	345.39	6	3	95.86	3	6	0	-0.6152	3.47537	2.89	2.869	66.651	98.4025	2.5952	328.33993199604
Cond-009032	NPE45	1-(2-Chloro-thiazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.0872200388	Clc1ncc(CN2CCCc3c2cccc3)s1	InChI=1S/C13H13ClN2S/c14-13-15-8-11(17-13)9-16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,8H,3,5,7,9H2	C13H13ClN2S	264.774	2	0	44.37	3	2	0	0.701	3.44919	2.45	3.484	33.885	69.423	1.885	217.066201475034
Cond-009033	NPE450	2-[(7-Hydroxy-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-6-ylmethyl)-amino]-butyric acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2088423502	CCC(NCc1c2oc(=O)c3c(CCC3)c2ccc1O)C(=O)O	InChI=1S/C17H19NO5/c1-2-13(16(20)21)18-8-12-14(19)7-6-10-9-4-3-5-11(9)17(22)23-15(10)12/h6-7,13,18-19H,2-5,8H2,1H3,(H,20,21)	C17H19NO5	317.336	6	3	95.86	3	5	0	-1.6804	2.83927	2.67	1.792	56.7417	89.2385	2.3134	293.747962744306
Cond-009034	NPE451	2-(7-methoxybenzo[e]1,2,4-triazolo[3,4-c]1,2,4-triazinylthio)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.9572811847	COc1cc2c(cc1)n1c(SCC(=O)O)nnc1nn2	InChI=1S/C11H9N5O3S/c1-19-6-2-3-8-7(4-6)12-13-10-14-15-11(16(8)10)20-5-9(17)18/h2-4H,5H2,1H3,(H,17,18)	C11H9N5O3S	291.286	8	1	127.8	3	4	0	0.1104	1.33516	1.68	1.424	29.7886	71.9718	1.8703	210.45120777745
Cond-009035	NPE452	2-(7-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-3-yl))-N-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.4439241395	CC1CCc2c(C1)sc1c2c(=O)n(CC(=O)N/N=C/2\C(=O)Nc3ccccc23)cn1	InChI=1S/C21H19N5O3S/c1-11-6-7-13-15(8-11)30-20-17(13)21(29)26(10-22-20)9-16(27)24-25-18-12-4-2-3-5-14(12)23-19(18)28/h2-5,10-11H,6-9H2,1H3,(H,24,27)(H,23,25,28)	C21H19N5O3S	421.472	8	2	131.47	5	4	0	-1.1416	3.19277	2.78	3.828	71.552	118.7489	2.9331	361.688760532119
Cond-009036	NPE453	2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)pentanedioic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4017846632	OC(=O)CCC(N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)C(=O)O	InChI=1S/C14H15Br2NO6/c15-10-4-3-5(11(10)16)9-8(4)12(20)17(13(9)21)6(14(22)23)1-2-7(18)19/h4-6,8-11H,1-3H2,(H,18,19)(H,22,23)	C14H15Br2NO6	453.08	7	2	111.98	3	5	0	-0.810600000000001	1.31619	2.01	0.651	79.3134	87.3966	2.3854	305.390390924001
Cond-009037	NPE454	{[2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-oxoethyl]sulfanyl}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.877683313	OC(=O)CSCC(=O)N1CCn2c3c(cc(cc3)C3CCCCC3)c3c2C1CCC3	InChI=1S/C24H30N2O3S/c27-22(14-30-15-23(28)29)25-11-12-26-20-10-9-17(16-5-2-1-3-6-16)13-19(20)18-7-4-8-21(25)24(18)26/h9-10,13,16,21H,1-8,11-12,14-15H2,(H,28,29)	C24H30N2O3S	426.572	5	1	87.84	5	6	1	-1.8741	5.02438000000001	3.44	5.177	78.4284	123.6228	3.2284	391.132268588419
Cond-009038	NPE455	2,8-dibenzyl-2,8-diazaspiro[5.5]undecane	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.4523308552	C([NH+]1CCCC2(CCC[NH+](Cc3ccccc3)C2)C1)c1ccccc1	InChI=1S/C23H30N2/c1-3-9-21(10-4-1)17-24-15-7-13-23(19-24)14-8-16-25(20-23)18-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2/p+2	C23H32N2++	336.514	2	2	8.88	4	4	1	-3.6392	1.0516	3.77	6.63	46.4477	101.0744	2.8995	343.949497204869
Cond-009039	NPE456	2,8-dimethyl-5-(1-piperidinylacetyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5153109936	C[NH+]1CCC2C(C1)c1cc(C)ccc1N2C(=O)C[NH+]1CCCCC1	InChI=1S/C20H29N3O/c1-15-6-7-18-16(12-15)17-13-21(2)11-8-19(17)23(18)20(24)14-22-9-4-3-5-10-22/h6-7,12,17,19H,3-5,8-11,13-14H2,1-2H3/p+2	C20H31N3O++	329.48	4	2	29.19	4	3	0	-4.4422	0.261600000000002	3.22	2.538	59.8982	98.4164000000001	2.7213	328.021447637597
Cond-009040	NPE457	2,8-dimethyl-5-{[5-(2-methylphenyl)-2H-tetraazol-2-yl]acetyl}-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3463199979	CN1CCC2C(C1)c1c(ccc(C)c1)N2C(=O)Cn1nnc(n1)c1ccccc1C	InChI=1S/C23H26N6O/c1-15-8-9-20-18(12-15)19-13-27(3)11-10-21(19)29(20)22(30)14-28-25-23(24-26-28)17-7-5-4-6-16(17)2/h4-9,12,19,21H,10-11,13-14H2,1-3H3	C23H26N6O	402.492	7	0	67.15	5	4	0	-0.0451999999999997	3.49992	3.22	4.999	53.0371	118.962	3.0768	362.924471234097
Cond-009041	NPE458	2,9-diaza-10-indol-3-yl-14,14-dimethyl-12-oxotricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4268737409	CC1(C)CC(=O)C2=C(C1)Nc1cc(ccc1NC2c1c[nH]c2c1cccc2)C(=O)O	InChI=1S/C24H23N3O3/c1-24(2)10-19-21(20(28)11-24)22(15-12-25-16-6-4-3-5-14(15)16)27-17-8-7-13(23(29)30)9-18(17)26-19/h3-9,12,22,25-27H,10-11H2,1-2H3,(H,29,30)	C24H23N3O3	401.458	6	4	94.22	5	2	0	-0.719600000000001	5.21957000000001	3.44	3.951	57.2179	120.6902	2.9927	362.174169935785
Cond-009042	NPE459	2-(9H-Xanthen-9-yl)-malonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7006192612	OC(=O)C(C1c2c(Oc3c1cccc3)cccc2)C(=O)O	InChI=1S/C16H12O5/c17-15(18)14(16(19)20)13-9-5-1-3-7-11(9)21-12-8-4-2-6-10(12)13/h1-8,13-14H,(H,17,18)(H,19,20)	C16H12O5	284.263	5	2	83.83	3	3	0	-0.7799	3.48229	2.67	3.788	23.4036	78.2056000000001	1.9867	249.282300508673
Cond-009043	NPE46	1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]-1,3-dihydroquinazoline-2,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.8987086838	COc1ccc(Cn2c(=O)n(CC[NH+](C)C)c3ccccc3c2=O)cc1	InChI=1S/C20H23N3O3/c1-21(2)12-13-22-18-7-5-4-6-17(18)19(24)23(20(22)25)14-15-8-10-16(26-3)11-9-15/h4-11H,12-14H2,1-3H3/p+1	C20H24N3O3+	354.423	6	1	54.29	3	6	0	-2.0075	1.05099	3	2.889	47.7299	101.9947	2.7538	335.194295585919
Cond-009044	NPE460	2-Acetylamino-5-(9H-purin-6-ylsulfanyl)-pentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0191972077	CC(=O)NC(CCCSc1ncnc2c1nc[nH]2)C(=O)O	InChI=1S/C12H15N5O3S/c1-7(18)17-8(12(19)20)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8H,2-4H2,1H3,(H,17,18)(H,19,20)(H,13,14,15,16)	C12H15N5O3S	309.344	8	3	146.16	2	8	0	-1.416	0.40477	1.79	0.254	45.0369	77.2505	2.1628	253.640109804917
Cond-009045	NPE461	2-Amino-1-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3-(2-morpholin-4-yl-ethyl)-3H-benzimidazol-1-ium; bromide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3122852743	Nc1[n+](CC[NH+]2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Br)cc1	InChI=1S/C21H23BrN4O2/c22-17-7-5-16(6-8-17)20(27)15-26-19-4-2-1-3-18(19)25(21(26)23)10-9-24-11-13-28-14-12-24/h1-8,23H,9-15H2/p+2	C21H25BrN4O2++	445.353	6	3	65.57	4	6	0	-3.2858	2.64537	3	3.012	55.5195	118.7061	3.0237	352.042203346558
Cond-009046	NPE462	2-Amino-1-(2-morpholin-4-yl-ethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.116692335	Nc1c(C#N)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1	InChI=1S/C17H18N6O/c18-11-12-15-17(21-14-4-2-1-3-13(14)20-15)23(16(12)19)6-5-22-7-9-24-10-8-22/h1-4H,5-10,19H2/p+1	C17H19N6O+	323.372	7	3	94.19	4	3	0	-2.2304	0.830070000000003	2.56	0.485	43.211	94.1441	2.4045	275.459710230896
Cond-009047	NPE463	2'-amino-1-benzyl-3'-cyano-5'-methyl-6'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0559414216	Cc1c2c(OC(=C(C#N)C32CCN(Cc2ccccc2)CC3)N)n[nH]1	InChI=1S/C19H21N5O/c1-13-16-18(23-22-13)25-17(21)15(11-20)19(16)7-9-24(10-8-19)12-14-5-3-2-4-6-14/h2-6H,7-10,12,21H2,1H3,(H,22,23)	C19H21N5O	335.403	6	3	90.96	4	2	0	-0.3793	2.18949	2.89	3.538	56.7703	96.6054	2.565	308.636689924063
Cond-009048	NPE464	2-Amino-1-phenylethanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3038023105	NCC(O)c1ccccc1	InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2	C8H11NO	137.179	2	3	46.25	1	2	0	-1.249	0.3376	2.12	1.67	14.8968	39.6782	1.1567	135.545487813261
Cond-009049	NPE465	2-Amino-3-methyl-pentanoic acid 3-(3-fluoro-phenyl)-2-methyl-4-oxo-4H-chromen-7-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.8807670401	[C@@H](N)(C(C)CC)C(=O)Oc1cc2c(cc1)c(=O)c(c(C)o2)c1cc(F)ccc1	InChI=1S/C22H22FNO4/c1-4-12(2)20(24)22(26)28-16-8-9-17-18(11-16)27-13(3)19(21(17)25)14-6-5-7-15(23)10-14/h5-12,20H,4,24H2,1-3H3/t12?,20-/m1/s1	C22H22FNO4	383.413	5	2	78.62	3	6	1	-0.7747	5.16356	3.22	5.23	53.1785	109.7629	2.8479	358.695841920986
Cond-009050	NPE466	2-amino-4-[3-({4-nitro-1H-pyrazole-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4340989034	COc1ccc(cc1Cn1cc(cn1)N(=O)=O)C1C(=C(N)OC2=C1C(=O)CC(C)(C)C2)C#N	InChI=1S/C23H23N5O5/c1-23(2)7-17(29)21-19(8-23)33-22(25)16(9-24)20(21)13-4-5-18(32-3)14(6-13)11-27-12-15(10-26-27)28(30)31/h4-6,10,12,20H,7-8,11,25H2,1-3H3	C23H23N5O5	449.459	10	2	146.3	4	5	0	0.943099999999999	3.44457	2.89	2.263	78.3433	120.8354	3.2344	405.072159127374
Cond-009051	NPE467	2-amino-4-(3-bromo-4-fluoro-phenyl)-5-(4-isobutyl-phenyl)-1,4,7-trihydro-pyrano[2,3-c]pyrazole-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	26.2566807148	CC(C)Cc1ccc(cc1)c1n[nH]c2c1C(c1ccc(F)c(Br)c1)C(=C(N)O2)C#N	InChI=1S/C23H20BrFN4O/c1-12(2)9-13-3-5-14(6-4-13)21-20-19(15-7-8-18(25)17(24)10-15)16(11-26)22(27)30-23(20)29-28-21/h3-8,10,12,19H,9,27H2,1-2H3,(H,28,29)	C23H20BrFN4O	467.334	5	3	87.72	4	4	1	1.3204	5.89787	3.22	7.615	54.6206	120.9684	3.0925	373.365669944836
Cond-009052	NPE468	2-amino-4-(3-butoxy-4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	28.3945094531	CCCCOc1cc(ccc1OC)C1C(=C(N)Oc2c1c(=O)oc1ccccc21)C#N	InChI=1S/C24H22N2O5/c1-3-4-11-29-19-12-14(9-10-18(19)28-2)20-16(13-25)23(26)31-22-15-7-5-6-8-17(15)30-24(27)21(20)22/h5-10,12,20H,3-4,11,26H2,1-2H3	C24H22N2O5	418.442	7	2	103.8	4	6	0	-1.5065	3.82177	3.33	4.392	62.9135	113.2324	3.0759	389.377863128741
Cond-009053	NPE469	2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	17.5023062156	Cc1c(COc2ccc(Cl)cc2C)cc(s1)C1C(=C(N)OC2=C1C(=O)CCC2)C#N	InChI=1S/C23H21ClN2O3S/c1-12-8-15(24)6-7-18(12)28-11-14-9-20(30-13(14)2)21-16(10-25)23(26)29-19-5-3-4-17(27)22(19)21/h6-9,21H,3-5,11,26H2,1-2H3	C23H21ClN2O3S	440.942	5	2	113.58	4	4	0	1.2486	4.49821	3.22	3.293	79.5632	113.2864	3.1465	390.857975630585
Cond-009054	NPE47	1-(2-Dimethylamino-ethyl)-3-hydroxy-4-(4-methoxy-benzoyl)-5-pyridin-2-yl-1,5-dihydro-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.6460983482	COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ncccc1	InChI=1S/C21H23N3O4/c1-23(2)12-13-24-18(16-6-4-5-11-22-16)17(20(26)21(24)27)19(25)14-7-9-15(28-3)10-8-14/h4-11,18,26H,12-13H2,1-3H3	C21H23N3O4	381.425	7	1	82.97	3	7	0	-1.0507	2.24348	3	3.087	57.921	107.5048	2.8889	357.325818861147
Cond-009055	NPE470	2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.021990077	COc1cc(ccc1OCc1ccccc1)C1C(=C(N)Oc2c1c(=O)oc(C)c2)C#N	InChI=1S/C24H20N2O5/c1-14-10-20-22(24(27)30-14)21(17(12-25)23(26)31-20)16-8-9-18(19(11-16)28-2)29-13-15-6-4-3-5-7-15/h3-11,21H,13,26H2,1-2H3	C24H20N2O5	416.426	7	2	103.8	4	5	0	-0.5213	3.30186	3.33	4.231	66.5704	111.2474	3.0329	386.741404427941
Cond-009056	NPE471	2-amino-4-(4-bromophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3,5-pyridinedicarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8313446904	Nc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(c2ccc(Br)cc2)c1C#N	InChI=1S/C21H13BrN4O3S/c22-13-4-1-11(2-5-13)19-14(8-23)20(25)26-21(15(19)9-24)30-10-18(29)12-3-6-16(27)17(28)7-12/h1-7,27-28H,10H2,(H2,25,26)	C21H13BrN4O3S	481.322	7	4	169.32	3	5	0	-0.5873	4.74266	2.78	2.925	48.0491	119.4845	3.0535	373.242701899918
Cond-009057	NPE472	2-amino-4-(4-butaoxy-3-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.1101915075	CCCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(=O)oc1ccccc21)C#N	InChI=1S/C24H22N2O5/c1-3-4-11-29-18-10-9-14(12-19(18)28-2)20-16(13-25)23(26)31-22-15-7-5-6-8-17(15)30-24(27)21(20)22/h5-10,12,20H,3-4,11,26H2,1-2H3	C24H22N2O5	418.442	7	2	103.8	4	6	0	-1.5065	3.82177	3.33	4.392	62.9135	113.2324	3.0759	389.377863128741
Cond-009058	NPE473	2-amino-5-(dodecyloxy)-4-pyrimidinylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	10.7456501778	CCCCCCCCCCCCOc1cnc(N)nc1N	InChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13-19-16(18)20-15(14)17/h13H,2-12H2,1H3,(H4,17,18,19,20)	C16H30N4O	294.436	5	4	87.05	1	12	1	-4.471	4.84668	2.67	4.862	49.7902	91.2978000000001	2.5833	306.903645444696
Cond-009059	NPE474	2-amino-8-(4-ethoxybenzylidene)-4-(4-ethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.2266027059	CCOc1ccc(/C=C/2\C[NH+](C)CC3=C2OC(=C(C#N)C3c2ccc(OCC)cc2)N)cc1	InChI=1S/C27H29N3O3/c1-4-31-21-10-6-18(7-11-21)14-20-16-30(3)17-24-25(23(15-28)27(29)33-26(20)24)19-8-12-22(13-9-19)32-5-2/h6-14,25H,4-5,16-17,29H2,1-3H3/p+1/b20-14+	C27H30N3O3+	444.545	6	3	81.94	4	6	0	-1.3454	2.89356000000001	3.77	4.467	78.6916	127.4141	3.5025	436.000353163786
Cond-009060	NPE475	2-(aminocarbonylamino)-2-oxoethyl 3-methyl-1-benzylthiopheno[4,5-d]pyrazole-5-carboxylate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9810138599	Cc1nn(Cc2ccccc2)c2c1cc(s2)C(=O)OCC(=O)NC(=O)N	InChI=1S/C17H16N4O4S/c1-10-12-7-13(16(23)25-9-14(22)19-17(18)24)26-15(12)21(20-10)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H3,18,19,22,24)	C17H16N4O4S	372.398	8	3	144.55	3	8	0	0.0107999999999997	2.22641	2.34	2.644	46.874	99.4171	2.5886	306.747664623446
Cond-009061	NPE476	2-Amino-cyclohex-1-enecarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	127.056838827	NC1=C(CCCC1)C#N	InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4,9H2	C7H10N2	122.168	2	2	49.81	1	0	0	-1.1478	1.28918	2.01	0.366	33.9873	36.5424	1.0569	131.356036695
Cond-009062	NPE477	2-Amino-cyclopent-1-enecarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	121.541655853	NC1=C(CCC1)C#N	InChI=1S/C6H8N2/c7-4-5-2-1-3-6(5)8/h1-3,8H2	C6H8N2	108.141	2	2	49.81	1	0	0	-0.8598	0.89908	1.9	-0.203	31.0757	31.9254	0.916000000000001	114.060052069134
Cond-009063	NPE478	2-Benzothiazol-2-yl-4-{[2-(1H-indol-3-yl)-ethylimino]-methyl}-5-phenyl-1,2-dihydro-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	81.1121719489	O=c1n([nH]c(c1/C=N/CCc1c[nH]c2ccccc12)c1ccccc1)c1nc2ccccc2s1	InChI=1S/C27H21N5OS/c33-26-21(17-28-15-14-19-16-29-22-11-5-4-10-20(19)22)25(18-8-2-1-3-9-18)31-32(26)27-30-23-12-6-7-13-24(23)34-27/h1-13,16-17,29,31H,14-15H2/b28-17+	C27H21N5OS	463.554	6	2	101.62	6	6	1	-1.0508	6.26035000000001	3.66	7.41	46.7894	144.0847	3.38050000000001	392.281921382197
Cond-009064	NPE479	2-Benzothiazol-2-yl-4-cyclooctylaminomethylene-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.4922295774	FC(F)(F)C1=NN(C(=O)/C/1=C\NC1CCCCCCC1)c1nc2ccccc2s1	InChI=1S/C20H21F3N4OS/c21-20(22,23)17-14(12-24-13-8-4-2-1-3-5-9-13)18(28)27(26-17)19-25-15-10-6-7-11-16(15)29-19/h6-7,10-13,24H,1-5,8-9H2/b14-12-	C20H21F3N4OS	422.467	5	1	85.83	4	4	1	-1.7873	6.23996000000001	2.67	6.096	63.692	112.3597	2.8657	354.284073651082
Cond-009065	NPE48	1-(2-fluorobenzyl)-4-(2-naphthylmethyl)piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8286115664	Fc1ccccc1C[NH+]1CC[NH+](Cc2cc3ccccc3cc2)CC1	InChI=1S/C22H23FN2/c23-22-8-4-3-7-21(22)17-25-13-11-24(12-14-25)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2/p+2	C22H25FN2++	336.446	2	2	8.88	4	4	1	-2.3385	0.499300000000003	3.55	6.617	29.1457	100.0384	2.6903	316.548154027708
Cond-009066	NPE480	2-Benzothiazol-2-yl-4-(N'-benzothiazol-2-yl-hydrazinomethylene)-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.6799245511	FC(F)(F)C1=NN(C(=O)/C/1=C/NNc1nc2ccccc2s1)c1nc2ccccc2s1	InChI=1S/C19H11F3N6OS2/c20-19(21,22)15-10(9-23-26-17-24-11-5-1-3-7-13(11)30-17)16(29)28(27-15)18-25-12-6-2-4-8-14(12)31-18/h1-9,23H,(H,24,26)/b10-9+	C19H11F3N6OS2	460.455	7	2	138.99	5	5	1	0.4493	6.76914	2.23	6.217	51.0064	120.7794	2.8073	332.788339995148
Cond-009067	NPE481	2-(Benzothiazol-2-ylsulfanylmethyl)-8,9,10,11-tetrahydro-7H-6-thia-1,3,3a,5-tetraaza-cyclohepta[b]-as-indacene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.8899555139	C(Sc1nc2c(s1)cccc2)c1nn2cnc3c(c2n1)c1c(CCCCC1)s3	InChI=1S/C20H17N5S3/c1-2-6-12-14(8-3-1)27-19-17(12)18-23-16(24-25(18)11-21-19)10-26-20-22-13-7-4-5-9-15(13)28-20/h4-5,7,9,11H,1-3,6,8,10H2	C20H17N5S3	423.577	5	0	137.75	6	3	1	1.2506	5.73655	2.78	5.081	49.0427	112.483	2.8775	312.620143919769
Cond-009068	NPE482	2-benzothiazol-2-ylthio-N-[2-(phenylmethylthio)benzothiazol-6-yl]acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6437370468	O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCc3ccccc3)sc2c1	InChI=1S/C23H17N3OS4/c27-21(14-29-23-25-17-8-4-5-9-19(17)30-23)24-16-10-11-18-20(12-16)31-22(26-18)28-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,27)	C23H17N3OS4	479.661	4	1	161.96	5	8	1	1.5374	7.12464	3.11	7.07	47.8897	131.6127	3.3024	374.260910737596
Cond-009069	NPE483	2-benzoxazol-2-ylthio-N-(4,5-diphenyl(1,3-thiazol-2-yl))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.1893440142	O=C(CSc1nc2ccccc2o1)Nc1nc(c(s1)c1ccccc1)c1ccccc1	InChI=1S/C24H17N3O2S2/c28-20(15-30-24-25-18-13-7-8-14-19(18)29-24)26-23-27-21(16-9-3-1-4-10-16)22(31-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27,28)	C24H17N3O2S2	443.541	5	1	121.56	5	7	1	0.1905	7.52335	3.33	7.921	29.2096	129.3367	3.132	360.692615248024
Cond-009070	NPE484	2-Benzyl-1,2,3,3a,9,9a-hexahydro-chromeno[2,3-c]pyrrole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	115.377627823	C(N1CC2Cc3ccccc3OC2C1)c1ccccc1	InChI=1S/C18H19NO/c1-2-6-14(7-3-1)11-19-12-16-10-15-8-4-5-9-17(15)20-18(16)13-19/h1-9,16,18H,10-13H2	C18H19NO	265.35	2	0	12.47	4	2	1	-0.1414	3.28339	3.22	5.22	29.609	81.0760000000001	2.1109	252.626581867129
Cond-009071	NPE485	2-(benzylsulfanyl)-3-pyridinesulfonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7742330422	OS(=O)(=O)c1c(SCc2ccccc2)nccc1	InChI=1S/C12H11NO3S2/c14-18(15,16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,16)	C12H11NO3S2	281.351	4	1	100.94	2	4	0	0.0607000000000001	2.79499	2.12	3.214	23.4251	64.9948	1.9271	228.16209302985
Cond-009072	NPE486	2-[(benzylsulfanyl)methyl]-7-chloro-4H-3,1-benzooxazin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	90.6834930426	Clc1cc2c(cc1)c(=O)oc(CSCc1ccccc1)n2	InChI=1S/C16H12ClNO2S/c17-12-6-7-13-14(8-12)18-15(20-16(13)19)10-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2	C16H12ClNO2S	317.79	3	0	63.96	3	4	1	1.0883	4.00038	2.67	5.584	35.1736	89.647	2.1963	267.628472443189
Cond-009073	NPE487	2-Bromo-phenethylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2347180782	NCCc1c(Br)cccc1	InChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2	C8H10BrN	200.076	1	2	26.02	1	2	0	0.4061	1.9503	2.12	2.712	21.9852	46.9004	1.273	146.038880090267
Cond-009074	NPE488	2-Butanone, 4-(2-naphthalenylthio)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.9696221758	[O-]C(=O)CCSc1cc2ccccc2cc1	InChI=1S/C13H12O2S/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)/p-1	C13H11O2S-	231.29	2	0	65.43	2	4	0	-0.2806	1.73888	2.56	4.244	21.9964	63.191	1.7245	205.843837338989
Cond-009075	NPE489	2-chloro-11-[2-(4-methylpiperazinyl)ethoxy]-10H,11H-dibenzo[b,f]thiepin	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.3111683447	CN1CCN(CCOC2Cc3c(Sc4c2cc(Cl)cc4)cccc3)CC1	InChI=1S/C21H25ClN2OS/c1-23-8-10-24(11-9-23)12-13-25-19-14-16-4-2-3-5-20(16)26-21-7-6-17(22)15-18(19)21/h2-7,15,19H,8-14H2,1H3	C21H25ClN2OS	388.954	3	0	41.01	4	4	0	1.3911	3.39109	3.22	4.191	63.0574	104.061	2.9193	349.23138778093
Cond-009076	NPE49	1-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-2-(4-fluoren-9-ylpiperazinyl)ethan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6029168048	O=C(CN1CCN(CC1)C1c2c(cccc2)c2c1cccc2)c1ccc2OCCCOc2c1	InChI=1S/C28H28N2O3/c31-25(20-10-11-26-27(18-20)33-17-5-16-32-26)19-29-12-14-30(15-13-29)28-23-8-3-1-6-21(23)22-7-2-4-9-24(22)28/h1-4,6-11,18,28H,5,12-17,19H2	C28H28N2O3	440.534	5	0	42.01	6	4	1	-1.0162	4.57798000000001	3.99	5.747	53.5249	132.375	3.3479	408.004889530286
Cond-009077	NPE490	2-chloro-11-[2-(4-methylpiperazinyl)ethoxy]-6H,11H-dibenzo[c,f]thiepin	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.6570814046	CN1CCN(CCOC2c3c(CSc4c2cc(Cl)cc4)cccc3)CC1	InChI=1S/C21H25ClN2OS/c1-23-8-10-24(11-9-23)12-13-25-21-18-5-3-2-4-16(18)15-26-20-7-6-17(22)14-19(20)21/h2-7,14,21H,8-13,15H2,1H3	C21H25ClN2OS	388.954	3	0	41.01	4	4	0	1.3403	3.0896	3.22	4.402	62.9042	102.644	2.9193	349.23138778093
Cond-009078	NPE491	[(2-chloro-3-pyridinyl)sulfanyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.412026464	OC(=O)CSc1cccnc1Cl	InChI=1S/C7H6ClNO2S/c8-7-5(2-1-3-9-7)12-4-6(10)11/h1-3H,4H2,(H,10,11)	C7H6ClNO2S	203.646	3	1	75.49	1	3	0	0.6827	1.57868	1.68	1.365	25.677	46.5018	1.3174	158.123363015189
Cond-009079	NPE492	2-chloro-6,11-dihydrodibenzo[b,e]thiepin-11-yl 2-(4-methyl-1-piperazinyl)ethyl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.3567039631	CN1CCN(CCOC2c3c(CSc4c2cc(Cl)cc4)cccc3)CC1	InChI=1S/C21H25ClN2OS/c1-23-8-10-24(11-9-23)12-13-25-21-18-5-3-2-4-16(18)15-26-20-7-6-17(22)14-19(20)21/h2-7,14,21H,8-13,15H2,1H3	C21H25ClN2OS	388.954	3	0	41.01	4	4	0	1.3403	3.0896	3.22	4.402	62.9042	102.644	2.9193	349.23138778093
Cond-009080	NPE493	2-chloro-6-[2-(4-methylpiperazino)ethyl]-5H-5lambda~6~-dibenzo[d,g][1,6,2]dithiazocine-5,5,7(6H)-trione dihydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4655401557	C[NH+]1CC[NH+](CCN2C(=O)c3ccccc3Sc3cc(Cl)ccc3S2(=O)=O)CC1	InChI=1S/C20H22ClN3O3S2/c1-22-8-10-23(11-9-22)12-13-24-20(25)16-4-2-3-5-17(16)28-18-14-15(21)6-7-19(18)29(24,26)27/h2-7,14H,8-13H2,1H3/p+2	C20H24ClN3O3S2++	454.006	6	2	97.01	4	3	0	-2.441	-0.597619999999998	2.67	2.319	63.4621	105.6844	3.1591	379.021640821952
Cond-009081	NPE494	2-(decylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.590431524	CCCCCCCCCCSc1nnc(o1)c1ccc(Cl)cc1Cl	InChI=1S/C18H24Cl2N2OS/c1-2-3-4-5-6-7-8-9-12-24-18-22-21-17(23-18)15-11-10-14(19)13-16(15)20/h10-11,13H,2-9,12H2,1H3	C18H24Cl2N2OS	387.367	3	0	64.22	2	11	2	-0.316000000000001	8.13498	2.78	8.148	54.5475	106.054	2.8792	339.903877776163
Cond-009082	NPE495	2-(diethylamino)-N-(5,5-dioxo(6H,11H-dibenzo[c,f]thiepin-11-yl))acetamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.113175315	CC[NH+](CC)CC(=O)NC1c2ccccc2CS(=O)(=O)c2ccccc12	InChI=1S/C20H24N2O3S/c1-3-22(4-2)13-19(23)21-20-16-10-6-5-9-15(16)14-26(24,25)18-12-8-7-11-17(18)20/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,23)/p+1	C20H25N2O3S+	373.489	5	2	76.06	3	6	0	-2.0391	1.20939	3	3.702	48.7362	97.4154	2.8605	345.343018136152
Cond-009083	NPE496	(2E,4E,6E)-7-Phenyl-hepta-2,4,6-trienoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	116.286010901	OC(=O)/C=C/C=C/C=C/c1ccccc1	InChI=1S/C13H12O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11H,(H,14,15)/b2-1+,8-4+,11-7+	C13H12O2	200.233	2	1	37.3	1	4	1	1.0569	2.80036	2.67	5.292	38.1	63.0328	1.6481	209.273042631789
Cond-009084	NPE497	(2E)-N-({3-[((2E)-3-(2-furyl)prop-2-enoylamino)methyl]adamantanyl}methyl)-3-(2-furyl)prop-2-enamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2760576079	O=C(NCC12CC3CC(C1)CC(CNC(=O)/C=C/c1ccco1)(C3)C2)/C=C/c1ccco1	InChI=1S/C26H30N2O4/c29-23(7-5-21-3-1-9-31-21)27-17-25-12-19-11-20(13-25)15-26(14-19,16-25)18-28-24(30)8-6-22-4-2-10-32-22/h1-10,19-20H,11-18H2,(H,27,29)(H,28,30)/b7-5+,8-6+	C26H30N2O4	434.527	6	2	84.48	2	10	0	-0.3808	4.28667000000001	3.66	4.889	87.364	122.1704	3.3194	410.732523081514
Cond-009085	NPE498	(2E)-N-[3-(dimethylamino)propyl]-3-{4-[(6-chloro-2-fluorophenyl)methoxy]phenyl}prop-2-enamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.9019384535	CN(C)CCCNC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1	InChI=1S/C21H24ClFN2O2/c1-25(2)14-4-13-24-21(26)12-9-16-7-10-17(11-8-16)27-15-18-19(22)5-3-6-20(18)23/h3,5-12H,4,13-15H2,1-2H3,(H,24,26)/b12-9+	C21H24ClFN2O2	390.879	4	1	41.57	2	10	0	0.7608	3.85088	3.11	4.736	57.1318	108.8237	2.9634	365.020149274197
Cond-009086	NPE499	2-ethoxy-6-nitro-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzooxazepine-6-yl]phenol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.5714876888	CCCCCSc1nc2c(nn1)c1ccccc1NC(O2)c1cc(OCC)c(O)c(c1)N(=O)=O	InChI=1S/C23H25N5O5S/c1-3-5-8-11-34-23-25-22-19(26-27-23)15-9-6-7-10-16(15)24-21(33-22)14-12-17(28(30)31)20(29)18(13-14)32-4-2/h6-7,9-10,12-13,21,24,29H,3-5,8,11H2,1-2H3	C23H25N5O5S	483.54	10	2	157.83	4	9	1	-0.2544	6.37067000000001	2.78	6.62	53.3	134.6245	3.4409	415.317641885775
Cond-009087	NPE5	10-Chloro-2-(3-methoxy-propyl)-benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6-trione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9983414287	COCCCn1c(=O)c2ccc3c(=O)n4c5ccc(Cl)cc5nc4c4c3c2c(cc4)c1=O	InChI=1S/C24H16ClN3O4/c1-32-10-2-9-27-22(29)14-5-4-13-19-16(7-6-15(20(14)19)23(27)30)24(31)28-18-8-3-12(25)11-17(18)26-21(13)28/h3-8,11H,2,9-10H2,1H3	C24H16ClN3O4	445.855	7	0	81.5	6	4	0	-0.9654	4.56628	3.22	3.074	45.0919	124.22	2.9792	357.64608830438
Cond-009088	NPE50	1-[2-Hydroxy-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propyl]-3,7-dimethyl-3,7-dihydro-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.4834205934	Cn1cnc2c1c(=O)n(CC(O)C[NH+]1CC[NH+](CCO)CC1)c(=O)n2C	InChI=1S/C16H26N6O4/c1-18-11-17-14-13(18)15(25)22(16(26)19(14)2)10-12(24)9-21-5-3-20(4-6-21)7-8-23/h11-12,23-24H,3-10H2,1-2H3/p+2	C16H28N6O4++	368.431	10	4	107.78	3	6	0	-4.2994	-4.05772	2.12	-2.828	75.4002	96.3260000000001	2.7418	330.554928561113
Cond-009089	NPE500	2H-1,3-Oxazine-4-octanoic acid, 6-(1,2-dihydroxy-1-methylbutyl)tetrahydro-.beta.,.delta.,.epsilon.-trihydroxy-.alpha.,.gamma.,.epsilon.,.eta.,5-pentamethyl-2-oxo-, methyl ester, [4S-[4.alpha.(.alpha.R*,.beta.S*,.gamma.S*,.delta.R*,.epsilon.R*,.eta.R*)...	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.9403316031	CC[C@@H](O)[C@@](C)(O)C1OC(=O)NC([C@H](C)C[C@@](C)(O)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)OC)[C@@H]1C	InChI=1S/C23H43NO9/c1-9-15(25)23(7,31)19-12(3)16(24-21(29)33-19)11(2)10-22(6,30)18(27)13(4)17(26)14(5)20(28)32-8/h11-19,25-27,30-31H,9-10H2,1-8H3,(H,24,29)/t11-,12+,13+,14-,15-,16?,17+,18-,19?,22-,23-/m1/s1	C23H43NO9	477.589	10	6	165.78	1	12	2	-1.79640000000001	0.163590000000003	2.89	0.477	115.3004	122.8947	3.7828	478.843529506553
Cond-009090	NPE501	2H-1,4-Benzoxazin-3(4H)-one, 6-[6-(2-hydroxyphenyl)-4-phenyl-2-pyridinyl]-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.1830952938	Oc1ccccc1c1nc(cc(c1)c1ccccc1)c1ccc2OCC(=O)Nc2c1	InChI=1S/C25H18N2O3/c28-23-9-5-4-8-19(23)21-14-18(16-6-2-1-3-7-16)13-20(26-21)17-10-11-24-22(12-17)27-25(29)15-30-24/h1-14,28H,15H2,(H,27,29)	C25H18N2O3	394.422	5	2	71.45	5	3	1	-1.451	6.50347	3.66	6.84	16.1872	123.5135	2.9048	349.664018251085
Cond-009091	NPE502	2H-1-Benzopyran, 2,3-bis(4-methylbenzenesulfonyloxymethyl)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	124.88969634	Cc1ccc(cc1)S(=O)(=O)OCC1Oc2ccccc2C=C1COS(=O)(=O)c1ccc(C)cc1	InChI=1S/C25H24O7S2/c1-18-7-11-22(12-8-18)33(26,27)30-16-21-15-20-5-3-4-6-24(20)32-25(21)17-31-34(28,29)23-13-9-19(2)10-14-23/h3-15,25H,16-17H2,1-2H3	C25H24O7S2	500.584	7	0	112.73	4	8	1	0.5893	4.54311	3.22	5.048	54.5277	115.605	3.50460000000001	431.015287555397
Cond-009092	NPE503	2H-Benzimidazol-2-one, 1-[3-[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-1-piperazinyl]propyl]-1,3-dihydro-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	65.1369702646	O=c1[nH]c2ccccc2n1CCC[NH+]1CCN(CC1)C1c2ccccc2CCc2ccccc12	InChI=1S/C29H32N4O/c34-29-30-26-12-5-6-13-27(26)33(29)17-7-16-31-18-20-32(21-19-31)28-24-10-3-1-8-22(24)14-15-23-9-2-4-11-25(23)28/h1-6,8-13,28H,7,14-21H2,(H,30,34)/p+1	C29H33N4O+	453.599	5	2	40.02	6	5	1	-2.2024	3.35758000000001	4.1	7.214	57.1541	138.0874	3.5925	431.032170521764
Cond-009093	NPE504	2H-Chromene-2,3-dicarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	121.853101479	OC(=O)C1Oc2ccccc2C=C1C(=O)O	InChI=1S/C11H8O5/c12-10(13)7-5-6-3-1-2-4-8(6)16-9(7)11(14)15/h1-5,9H,(H,12,13)(H,14,15)	C11H8O5	220.178	5	2	83.83	2	2	0	-0.5186	1.05138	2.12	1.295	28.479	56.2876	1.4768	191.331753481739
Cond-009094	NPE505	2H-Chromene-2,3-dicarboxylic acid dimethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	128.510251752	COC(=O)C1Oc2ccccc2C=C1C(=O)OC	InChI=1S/C13H12O5/c1-16-12(14)9-7-8-5-3-4-6-10(8)18-11(9)13(15)17-2/h3-7,11H,1-2H3	C13H12O5	248.231	5	0	61.83	2	4	0	-0.0165999999999997	1.22818	2.34	1.937	38.0172	65.048	1.7586	225.923722733472
Cond-009095	NPE506	2H-Pyran-2-one, tetrahydro-4-hydroxy-3-methyl-6-(2-phenylethyl)-, (3.beta.,4.alpha.,6.alpha.)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.642947135	[C@@H]1(CCc2ccccc2)CC(O)[C@@H](C)C(=O)O1	InChI=1S/C14H18O3/c1-10-13(15)9-12(17-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13?/m1/s1	C14H18O3	234.291	3	1	46.53	2	3	0	-0.871	2.16559	2.67	4.134	35.6948	67.6738	1.8681	230.912171359817
Cond-009096	NPE507	2H-Pyran-2-one, tetrahydro-6-(2-methyl-2-propyl)-4-(nitromethyl)-, (4S,6S)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3585647332	CC(C)(C)[C@@H]1C[C@H](CN(=O)=O)CC(=O)O1	InChI=1S/C10H17NO4/c1-10(2,3)8-4-7(6-11(13)14)5-9(12)15-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1	C10H17NO4	215.246	5	0	69.44	1	3	0	1.8465	1.72389	2.01	1.933	49.0356	59.037	1.6576	210.044595867478
Cond-009097	NPE508	[(2-hydroxy-3,5-dimethylbenzyl)(methyl)amino]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3881053846	CN(CC(=O)O)Cc1c(O)c(C)cc(C)c1	InChI=1S/C12H17NO3/c1-8-4-9(2)12(16)10(5-8)6-13(3)7-11(14)15/h4-5,16H,6-7H2,1-3H3,(H,14,15)	C12H17NO3	223.268	4	2	60.77	1	4	0	0.509200000000001	1.28433	2.34	1.403	38.657	64.5288	1.7947	219.67342101705
Cond-009098	NPE509	2-Hydroxymethyl-piperidine-1-carbaldehyde	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6810966084	OCC1CCCCN1C=O	InChI=1S/C7H13NO2/c9-5-7-3-1-2-4-8(7)6-10/h6-7,9H,1-5H2	C7H13NO2	143.184	3	1	40.54	1	2	0	-2.0552	0.22349	1.9	-0.192	32.9156	40.7378	1.1605	143.212647289556
Cond-009099	NPE51	1-(2-Morpholin-4-yl-ethyl)-3-(2-oxo-2-thiophen-2-yl-ethyl)-1,3-dihydro-benzoimidazol-2-ylidene-ammonium	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.351623315	[NH2+]=c1n(CCN2CCOCC2)c2c(cccc2)n1CC(=O)c1cccs1	InChI=1S/C19H22N4O2S/c20-19-22(8-7-21-9-11-25-12-10-21)15-4-1-2-5-16(15)23(19)14-17(24)18-6-3-13-26-18/h1-6,13,20H,7-12,14H2/p+1	C19H23N4O2S+	371.477	6	2	89.85	4	6	0	-1.9946	1.72727	2.78	3.509	58.9915	107.8444	2.7519	328.893868525258
Cond-009100	NPE510	2-Methyl-1-(3-morpholin-4-yl-propyl)-5-phenyl-1H-pyrrole-3-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.249141097	Cc1c(cc(n1CCCN1CCOCC1)c1ccccc1)C(=O)O	InChI=1S/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)	C19H24N2O3	328.405	5	1	54.7	3	6	0	-0.1464	3.08031	3	3.588	51.5517	97.5558000000001	2.5776	310.856238803085
Cond-009101	NPE511	(2-Morpholin-4-yl-ethyl)-(6-phenyl-thieno[2,3-d]pyrimidin-4-yl)-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.0488656195	C(CN1CCOCC1)Nc1c2cc(sc2ncn1)c1ccccc1	InChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)16-12-15-17(20-13-21-18(15)24-16)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21)	C18H20N4OS	340.443	5	1	78.52	4	5	0	0.0988999999999994	3.96118	2.78	3.119	43.8838	101.5657	2.5308	290.589427848429
Cond-009102	NPE512	2-{[N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)carbamoyl]methylthio}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.002935745	OC(=O)CSCC(=O)NCc1nc(no1)c1ccc(cc1)C(F)(F)F	InChI=1S/C14H12F3N3O4S/c15-14(16,17)9-3-1-8(2-4-9)13-19-11(24-20-13)5-18-10(21)6-25-7-12(22)23/h1-4H,5-7H2,(H,18,21)(H,22,23)	C14H12F3N3O4S	375.323	7	2	130.62	2	9	0	0.268	2.17708	1.79	2.839	44.3442	87.6065000000001	2.3138	290.595003190998
Cond-009103	NPE513	2-{N'-[3-Methyl-5-oxo-1-(4-phenyl-thiazol-2-yl)-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-naphthalene-1-sulfonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3581210313	CC1=NN(C(=O)/C/1=N\Nc1ccc2ccccc2c1S(=O)(=O)O)c1nc(cs1)c1ccccc1	InChI=1S/C23H17N5O4S2/c1-14-20(22(29)28(27-14)23-24-19(13-33-23)16-8-3-2-4-9-16)26-25-18-12-11-15-7-5-6-10-17(15)21(18)34(30,31)32/h2-13,25H,1H3,(H,30,31,32)/b26-20-	C23H17N5O4S2	491.542	9	2	160.94	5	5	1	-1.2074	6.59366	2.78	8.022	48.085	139.4165	3.3081	393.870604439613
Cond-009104	NPE514	2-({N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}methoxy)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.203620661	Cc1cc2c(cc1)nc(s2)c1ccc(NC(=O)COCC(=O)O)cc1	InChI=1S/C18H16N2O4S/c1-11-2-7-14-15(8-11)25-18(20-14)12-3-5-13(6-4-12)19-16(21)9-24-10-17(22)23/h2-8H,9-10H2,1H3,(H,19,21)(H,22,23)	C18H16N2O4S	356.396	6	2	116.76	3	7	0	-0.1997	4.31859	2.67	2.922	38.6995	101.1915	2.5299	302.050128832979
Cond-009105	NPE515	2-oxo-2-phenylethyl (16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.422576404	O=C(CN1C(=O)C2C(C3c4ccccc4C2c2c3cccc2)C1=O)OCC(=O)c1ccccc1	InChI=1S/C28H21NO5/c30-21(16-8-2-1-3-9-16)15-34-22(31)14-29-27(32)25-23-17-10-4-5-11-18(17)24(26(25)28(29)33)20-13-7-6-12-19(20)23/h1-13,23-26H,14-15H2	C28H21NO5	451.47	6	0	80.75	4	6	1	-1.8092	3.50519	3.88	7.512	47.8365	123.3905	3.23650000000001	406.679206620841
Cond-009106	NPE516	2-oxo-N-(7-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}heptyl)-2H-chromene-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3127634026	O=C(NCCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O	InChI=1S/C27H26N2O6/c30-24(20-16-18-10-4-6-12-22(18)34-26(20)32)28-14-8-2-1-3-9-15-29-25(31)21-17-19-11-5-7-13-23(19)35-27(21)33/h4-7,10-13,16-17H,1-3,8-9,14-15H2,(H,28,30)(H,29,31)	C27H26N2O6	474.505	8	2	110.8	4	12	2	-2.3242	3.54376	3.55	6.707	69.6458	132.3924	3.5143	447.419585006102
Cond-009107	NPE517	2-phenyl-9-[2-(1-pyrrolidinyl)ethyl]-9H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1126181156	C(C[N+]1=C2N=C(C=[N+]2c2ccccc12)c1ccccc1)[NH+]1CCCC1	InChI=1S/C21H22N4/c1-2-8-17(9-3-1)18-16-25-20-11-5-4-10-19(20)24(21(25)22-18)15-14-23-12-6-7-13-23/h1-5,8-11,16H,6-7,12-15H2/q+2/p+1	C21H23N4+++	331.434	4	1	22.82	5	4	1	-4.0951	2.33607	3.33	5.461	41.7258	106.7777	2.6012	312.403442916669
Cond-009108	NPE518	2-phenyl-9-prop-2-enyl-9-hydroimidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.9203420679	C=CC[N+]1=C2N=C(C=[N+]2c2ccccc12)c1ccccc1	InChI=1S/C18H15N3/c1-2-12-20-16-10-6-7-11-17(16)21-13-15(19-18(20)21)14-8-4-3-5-9-14/h2-11,13H,1,12H2/q+2	C18H15N3++	273.332	3	0	18.38	4	3	1	-1.4025	3.76956	3.11	5.53	31.9132	91.907	2.1228	257.920499480501
Cond-009109	NPE519	2-(pyrrolidinylmethyl)spiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7420694237	O=c1[nH]c(C[NH+]2CCCC2)nc2c1C1(CCCC1)Cc1ccccc21	InChI=1S/C21H25N3O/c25-20-18-19(22-17(23-20)14-24-11-5-6-12-24)16-8-2-1-7-15(16)13-21(18)9-3-4-10-21/h1-2,7-8H,3-6,9-14H2,(H,22,23,25)/p+1	C21H26N3O+	336.451	4	2	45.9	5	2	0	-3.338	1.77238	3.33	4.207	64.6514	100.5234	2.6461	326.369826810663
Cond-009110	NPE52	1-{2-nitro-4,5-dimethoxybenzyl}-4-(1-naphthylmethyl)piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	90.6705304677	COc1c(OC)cc(c(CN2CCN(Cc3cccc4c3cccc4)CC2)c1)N(=O)=O	InChI=1S/C24H27N3O4/c1-30-23-14-20(22(27(28)29)15-24(23)31-2)17-26-12-10-25(11-13-26)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,14-15H,10-13,16-17H2,1-2H3	C24H27N3O4	421.489	7	0	68.08	4	7	1	0.652499999999999	3.87960000000001	3.33	5.764	52.5908	122.439	3.203	385.957314037947
Cond-009111	NPE520	(2R)-3-{[(2R)-2-(1,3-dioxobenzo[c]azolin-2-yl)-2-carboxyethyl]disulfanyl}-2-(1,3-dioxobenzo[c]azolin-2-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.375633316	[O-]C(=O)C(CSSCC(N1C(=O)c2ccccc2C1=O)C(=O)[O-])N1C(=O)c2ccccc2C1=O	InChI=1S/C22H16N2O8S2/c25-17-11-5-1-2-6-12(11)18(26)23(17)15(21(29)30)9-33-34-10-16(22(31)32)24-19(27)13-7-3-4-8-14(13)20(24)28/h1-8,15-16H,9-10H2,(H,29,30)(H,31,32)/p-2	C22H14N2O8S2--	498.485	10	0	205.62	4	9	0	-2.4616	-1.60531	2.56	2.172	66.306	119.633	3.2112	412.90170469229
Cond-009112	NPE521	(2R,3R)-3-Hydroxy-2,4-dimethyl-pent-4-enoic acid benzyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7257471149	C[C@H]([C@@H](O)C(=C)C)C(=O)OCc1ccccc1	InChI=1S/C14H18O3/c1-10(2)13(15)11(3)14(16)17-9-12-7-5-4-6-8-12/h4-8,11,13,15H,1,9H2,2-3H3/t11-,13+/m1/s1	C14H18O3	234.291	3	1	46.53	1	6	0	0.858499999999999	2.12348	2.67	3.132	40.7497	68.4398	1.9337	240.632171359817
Cond-009113	NPE522	(2R,3S,4S,5R,6R,8R)-8-[(4S,5S,6R)-6-((1R,2R)-1,2-Dihydroxy-1-methyl-butyl)-5-methyl-2-oxo-[1,3]oxazinan-4-yl]-3,5,6-trihydroxy-2,4,6-trimethyl-nonanoic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.5601471552	CC[C@@H](O)[C@@](C)(O)[C@@H]1OC(=O)N[C@@H]([C@H](C)C[C@@](C)(O)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)OC)[C@@H]1C	InChI=1S/C23H43NO9/c1-9-15(25)23(7,31)19-12(3)16(24-21(29)33-19)11(2)10-22(6,30)18(27)13(4)17(26)14(5)20(28)32-8/h11-19,25-27,30-31H,9-10H2,1-8H3,(H,24,29)/t11-,12+,13+,14-,15-,16+,17+,18-,19-,22-,23-/m1/s1	C23H43NO9	477.589	10	6	165.78	1	12	2	-1.79640000000001	0.163590000000003	2.89	0.477	115.3004	122.8947	3.7828	478.843529506553
Cond-009114	NPE523	(2R,3S,6S)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2-hydroxymethyl-6-methyl-tetrahydro-pyran-3-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8502746561	[C@H]1(CO)O[C@@](C)(CC[C@@H]1O)[C@H]1COC(C)(C)O1	InChI=1S/C12H22O5/c1-11(2)15-7-10(17-11)12(3)5-4-8(14)9(6-13)16-12/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10+,12-/m0/s1	C12H22O5	246.3	5	2	68.15	2	2	0	-1.2661	0.4288	2.23	0.526	59.1015	60.5086000000001	1.8757	235.346490312406
Cond-009115	NPE524	(2S)-2-(2-indol-3-ylacetylamino)-2-phenylacetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.6111638504	[O-]C(=O)C(Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12	InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24)/p-1	C19H17N2O3-	321.35	5	2	85.02	3	7	0	-2.0327	1.34498	3	4.161	28.4204	93.8027	2.4271	290.728633350285
Cond-009116	NPE525	(2S)-2-amino-3-{3-[2-(phosphonomethyl)phenyl]phenyl}propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.1636914627	[NH3+]C(Cc1cc(ccc1)c1ccccc1CP(=O)([O-])[O-])C(=O)[O-]	InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-23(20,21)22/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22)/p-2	C16H16NO5P--	333.276	6	3	140.77	2	6	0	-4.5288	-1.69391	2.45	3.419	24.3178	78.4756	2.3997	292.46277282564
Cond-009117	NPE526	(2S,3R)-2-Benzyloxycarbonylamino-3-hydroxy-butyric acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	133.61017389	COC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O	InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m1/s1	C13H17NO5	267.278	6	2	84.86	1	8	0	-0.6777	0.0936899999999998	2.23	2.346	40.6774	69.3455	2.01	251.913400343239
Cond-009118	NPE527	(2S,3S)-3-Benzyloxy-butane-1,2,4-triol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2073779166	OC[C@H](O)[C@H](CO)OCc1ccccc1	InChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1	C11H16O4	212.242	4	3	69.92	1	6	0	-1.601	-0.4222	2.23	0.875	30.2453	54.4414	1.6557	202.807361584378
Cond-009119	NPE528	(2S,4R)-5,5-Dimethyl-non-8-ene-1,2,4,6-tetraol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	118.595899299	CC(C)(C(O)CC=C)[C@H](O)C[C@H](O)CO	InChI=1S/C11H22O4/c1-4-5-9(14)11(2,3)10(15)6-8(13)7-12/h4,8-10,12-15H,1,5-7H2,2-3H3/t8-,9?,10+/m0/s1	C11H22O4	218.29	4	4	80.92	0	7	0	-0.391500000000001	-0.0200100000000005	2.23	-0.123	56.2996	58.0482	1.8503	231.336737686778
Cond-009120	NPE529	(2S,5R)-5-decylhexahydrofuro[2,3-b]furan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	9.9125637069	CCCCCCCCCCC1CC2CC(O)OC2O1	InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15(17)19-16(13)18-14/h13-17H,2-12H2,1H3	C16H30O3	270.408	3	1	38.69	2	9	1	-3.4337	3.9871	2.89	5.367	57.825	75.7038000000001	2.3219	286.949975414751
Cond-009121	NPE53	1-{[3-(1H-imidazole-1-yl)propyl]amino}-3-methylpyrido[1,2-a]benzoimidazole-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5999034416	Cc1c(C#N)c2nc3ccccc3n2c(NCCCn2ccnc2)c1	InChI=1S/C19H18N6/c1-14-11-18(22-7-4-9-24-10-8-21-13-24)25-17-6-3-2-5-16(17)23-19(25)15(14)12-20/h2-3,5-6,8,10-11,13,22H,4,7,9H2,1H3	C19H18N6	330.386	6	1	70.94	4	5	0	0.0179000000000003	3.96249	2.89	3.176	33.1327	99.9867	2.5201	283.770306030068
Cond-009122	NPE530	2-Sulfooxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-benz[g]indolo[2,3-a]quinolizine-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3327515998	OC(=O)C1C(CCC2CN3CCc4c([nH]c5ccccc45)C3CC12)OS(=O)(=O)O	InChI=1S/C20H24N2O6S/c23-20(24)18-14-9-16-19-13(12-3-1-2-4-15(12)21-19)7-8-22(16)10-11(14)5-6-17(18)28-29(25,26)27/h1-4,11,14,16-18,21H,5-10H2,(H,23,24)(H,25,26,27)	C20H24N2O6S	420.479	8	3	128.31	5	3	0	-1.5118	3.28268	2.67	1.239	67.4013	108.6776	2.8839	350.955468887435
Cond-009123	NPE531	2-tert-butyl-1-[2-(1-piperidinyl)ethyl]-1H-imidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4870477948	CC(C)(C)C1=[N+](CC[NH+]2CCCCC2)C2=Nc3ccccc3[N+]2=C1	InChI=1S/C20H28N4/c1-20(2,3)18-15-24-17-10-6-5-9-16(17)21-19(24)23(18)14-13-22-11-7-4-8-12-22/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/q+2/p+1	C20H29N4+++	325.471	4	1	22.82	4	4	0	-1.2481	2.16208	3.22	4.824	66.4642	104.1967	2.6979	326.273293094002
Cond-009124	NPE532	(2Z)-2-benzoxazol-2-yl-3-[(3,5,7-triazatricyclo[3.3.1.1<3,7>]decyl)amino]prop-2-enal	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9201592133	O=C/C(=C\NC12CN3CN(CN(C3)C1)C2)/c1nc2ccccc2o1	InChI=1S/C17H19N5O2/c23-6-13(16-19-14-3-1-2-4-15(14)24-16)5-18-17-7-20-10-21(8-17)12-22(9-17)11-20/h1-6,18H,7-12H2/b13-5+	C17H19N5O2	325.365	7	1	64.85	2	4	0	-1.2097	0.97167	2.56	1.295	57.3885	91.8577	2.3193	275.75140607369
Cond-009125	NPE533	3-[10-(2-carboxyethyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-en-4-yl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9066516408	OC(=O)CCN1C(=O)C2C(C3C=CC2C2C3C(=O)N(CCC(=O)O)C2=O)C1=O	InChI=1S/C18H18N2O8/c21-9(22)3-5-19-15(25)11-7-1-2-8(13(11)17(19)27)14-12(7)16(26)20(18(14)28)6-4-10(23)24/h1-2,7-8,11-14H,3-6H2,(H,21,22)(H,23,24)	C18H18N2O8	390.344	10	2	149.36	2	6	0	-2.083	-0.88592	2.34	-2.648	89.6782	90.9986	2.5786	344.318470278424
Cond-009126	NPE534	3-[10-(2-carboxyethyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0<2,6>.0<8,12>]tetradec-13-en-4-yl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9988635826	OC(=O)CCN1C(=O)C2C(C3C=CC2C2C3C(=O)N(CCC(=O)O)C2=O)C1=O	InChI=1S/C18H18N2O8/c21-9(22)3-5-19-15(25)11-7-1-2-8(13(11)17(19)27)14-12(7)16(26)20(18(14)28)6-4-10(23)24/h1-2,7-8,11-14H,3-6H2,(H,21,22)(H,23,24)	C18H18N2O8	390.344	10	2	149.36	2	6	0	-2.083	-0.88592	2.34	-2.648	89.6782	90.9986	2.5786	344.318470278424
Cond-009127	NPE535	3-[10-(2-Carboxy-ethyl)-anthracen-9-yl]-propionic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5637957588	[O-]C(=O)CCc1c2ccccc2c(CCC(=O)[O-])c2ccccc12	InChI=1S/C20H18O4/c21-19(22)11-9-17-13-5-1-2-6-14(13)18(10-12-20(23)24)16-8-4-3-7-15(16)17/h1-8H,9-12H2,(H,21,22)(H,23,24)/p-2	C20H16O4--	320.339	4	0	80.26	3	6	1	-1.6408	0.500780000000003	3.22	6.026	28.7122	91.087	2.4056	293.503094909979
Cond-009128	NPE536	3-[1,3,3-tris(2-carboxyethyl)-2,5-dioxocyclohexyl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0765247256	OC(=O)CCC1(CCC(=O)O)CC(=O)CC(CCC(=O)O)(CCC(=O)O)C1=O	InChI=1S/C18H24O10/c19-11-9-17(5-1-12(20)21,6-2-13(22)23)16(28)18(10-11,7-3-14(24)25)8-4-15(26)27/h1-10H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)	C18H24O10	400.377	10	4	183.34	1	12	1	-1.768	1.58429	2.34	-1.842	91.567	94.8362000000001	2.8652	379.611238066413
Cond-009129	NPE537	3-(1,3-benzodioxol-5-yl)-N-(7-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}heptyl)acrylamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6877545735	O=C(NCCCCCCCNC(=O)/C=C/c1ccc2OCOc2c1)/C=C/c1ccc2OCOc2c1	InChI=1S/C27H30N2O6/c30-26(12-8-20-6-10-22-24(16-20)34-18-32-22)28-14-4-2-1-3-5-15-29-27(31)13-9-21-7-11-23-25(17-21)35-19-33-23/h6-13,16-17H,1-5,14-15,18-19H2,(H,28,30)(H,29,31)/b12-8+,13-9+	C27H30N2O6	478.537	8	2	95.12	4	14	1	-2.5696	4.92355000000001	3.55	4.725	74.2966	137.5434	3.6003	452.692502407703
Cond-009130	NPE538	3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9137805194	O=C(OCCCN1C(=O)c2ccccc2C1=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O	InChI=1S/C28H22N2O6/c31-24-19-11-4-5-12-20(19)25(32)29(24)15-8-16-36-28(35)23(17-18-9-2-1-3-10-18)30-26(33)21-13-6-7-14-22(21)27(30)34/h1-7,9-14,23H,8,15-17H2	C28H22N2O6	482.484	8	0	101.06	5	9	1	-1.9672	3.35729	3.66	6.79	51.5819	131.504	3.4606	436.186193529569
Cond-009131	NPE539	3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5439455654	O=C(CCn1c(=O)c2cccc3cccc(c1=O)c23)Nc1nc(cs1)c1ccccc1	InChI=1S/C24H17N3O3S/c28-20(26-24-25-19(14-31-24)15-6-2-1-3-7-15)12-13-27-22(29)17-10-4-8-16-9-5-11-18(21(16)17)23(27)30/h1-11,14H,12-13H2,(H,25,26,28)	C24H17N3O3S	427.475	6	1	107.61	5	6	1	-0.7561	5.87567	3.33	6.31	36.8794	125.5227	3.0272	361.873817890985
Cond-009132	NPE54	1-({3-[2-hydroxy-3-(isopropylamino)propaoxy]-2-naphtyl}oxy)-3-(isopropylamino)-2-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1924256401	CC(C)NCC(O)COc1cc2c(cccc2)cc1OCC(O)CNC(C)C	InChI=1S/C22H34N2O4/c1-15(2)23-11-19(25)13-27-21-9-17-7-5-6-8-18(17)10-22(21)28-14-20(26)12-24-16(3)4/h5-10,15-16,19-20,23-26H,11-14H2,1-4H3	C22H34N2O4	390.516	6	4	82.98	2	12	1	-2.0196	2.81599000000001	3.22	3.434	71.0026	115.29	3.2106	386.527336782847
Cond-009133	NPE540	3-(1,3-dioxocyclopenta[3,4-a]benzen-2-ylidene)-5-(4-chlorophenyl)-4,6-dioxo-1,2,5,3a,6a-pentahydro-2,5-diazapentalenecarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.583976514	OC(=O)C1NC(=C2C(=O)c3c(cccc3)C2=O)C2C1C(=O)N(C2=O)c1ccc(Cl)cc1	InChI=1S/C22H13ClN2O6/c23-9-5-7-10(8-6-9)25-20(28)13-14(21(25)29)17(22(30)31)24-16(13)15-18(26)11-3-1-2-4-12(11)19(15)27/h1-8,13-14,17,24H,(H,30,31)	C22H13ClN2O6	436.801	8	2	120.85	5	2	0	-1.8229	2.52247	2.89	2.059	58.2021	111.0105	2.8236	363.794270946402
Cond-009134	NPE541	3-{[(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetyl]amino}benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0446283876	OC(=O)c1cccc(NC(=O)CN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)c1	InChI=1S/C27H20N2O5/c30-20(28-15-7-5-6-14(12-15)27(33)34)13-29-25(31)23-21-16-8-1-2-9-17(16)22(24(23)26(29)32)19-11-4-3-10-18(19)21/h1-12,21-24H,13H2,(H,28,30)(H,33,34)	C27H20N2O5	452.458	7	2	103.78	4	5	1	-2.1271	3.15049	3.66	6.157	46.2976	123.4685	3.19540000000001	400.379982203141
Cond-009135	NPE542	3-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2874775282	OC(=O)CCN1C(=O)C2C(C1=O)C1(Br)c3ccccc3C2c2c1cccc2	InChI=1S/C21H16BrNO4/c22-21-13-7-3-1-5-11(13)16(12-6-2-4-8-14(12)21)17-18(21)20(27)23(19(17)26)10-9-15(24)25/h1-8,16-18H,9-10H2,(H,24,25)	C21H16BrNO4	426.26	5	1	74.68	3	3	0	-0.638700000000001	2.50329	3.11	4.407	50.7333	100.9918	2.6471	329.903000020779
Cond-009136	NPE543	3-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0428083473	O=C(CSc1nc2c([nH]1)cccc2)N1CCn2c3c(cc(cc3)C3CCCCC3)c3c2C1CCC3	InChI=1S/C29H32N4OS/c34-27(18-35-29-30-23-10-4-5-11-24(23)31-29)32-15-16-33-25-14-13-20(19-7-2-1-3-8-19)17-22(25)21-9-6-12-26(32)28(21)33/h4-5,10-11,13-14,17,19,26H,1-3,6-9,12,15-16,18H2,(H,30,31)	C29H32N4OS	484.656	5	1	79.22	7	5	1	-1.8529	6.23156000000001	3.99	7.229	69.9471	142.605	3.6689	427.602965228964
Cond-009137	NPE544	3-(1H-benzoimidazole-2-yl)-N'-(1,3-benzodioxol-5-ylmethylene)propanohydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.157941927	O=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccc2OCOc2c1	InChI=1S/C18H16N4O3/c23-18(8-7-17-20-13-3-1-2-4-14(13)21-17)22-19-10-12-5-6-15-16(9-12)25-11-24-15/h1-6,9-10H,7-8,11H2,(H,20,21)(H,22,23)/b19-10+	C18H16N4O3	336.345	7	2	88.6	4	6	0	-1.6453	2.93016	2.67	3.825	33.2254	100.3087	2.3987	284.387939790351
Cond-009138	NPE545	3-(1-Trifluoromethyl-1,3,4,9-tetrahydro-pyrido[3,4-b]indole-2-carbonyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	58.7134225803	[O-]C(=O)C1C2CC(C=C2)C1C(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F	InChI=1S/C21H19F3N2O3/c22-21(23,24)18-17-13(12-3-1-2-4-14(12)25-17)7-8-26(18)19(27)15-10-5-6-11(9-10)16(15)20(28)29/h1-6,10-11,15-16,18,25H,7-9H2,(H,28,29)/p-1	C21H18F3N2O3-	403.374	5	1	76.23	5	4	0	-1.0293	2.08647	2.89	3.321	62.7123	98.904	2.6308	334.983279152938
Cond-009139	NPE546	3-[2-(1,1-Dioxo-1lambda(6)-thiomorpholin-4-yl)-ethyl]-1-(4-trifluoromethyl-benzyl)-1H-indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	58.3645058952	FC(F)(F)c1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3c2cccc3)cc1	InChI=1S/C22H23F3N2O2S/c23-22(24,25)19-7-5-17(6-8-19)15-27-16-18(20-3-1-2-4-21(20)27)9-10-26-11-13-30(28,29)14-12-26/h1-8,16H,9-15H2	C22H23F3N2O2S	436.49	4	0	50.69	4	6	1	1.0245	4.9933	3	5.518	53.5972	110.834	3.0066	364.772749187043
Cond-009140	NPE547	3-{2-[2-(1-ethyl-3-methyl-5-oxo-2-thioxo-1,3-diazolidin-4-ylidene)ethylidene]-3-hydrobenzoxazol-3-yl}propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7032529949	CCN1C(=S)N(C)/C(=C/C=c/2\oc3ccccc3n2CCC(=O)[O-])/C1=O	InChI=1S/C18H19N3O4S/c1-3-20-17(24)13(19(2)18(20)26)8-9-15-21(11-10-16(22)23)12-6-4-5-7-14(12)25-15/h4-9H,3,10-11H2,1-2H3,(H,22,23)/p-1/b13-8+,15-9-	C18H18N3O4S-	372.418	7	0	108.24	3	5	0	0.0888999999999993	1.94365	2.56	3.146	75.2879	103.142	2.6512	336.165118391546
Cond-009141	NPE548	3-[2-(2-carboxyethyl)benzimidazolyl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.2975128156	OC(=O)CCn1c(CCC(=O)O)nc2c1cccc2	InChI=1S/C13H14N2O4/c16-12(17)6-5-11-14-9-3-1-2-4-10(9)15(11)8-7-13(18)19/h1-4H,5-8H2,(H,16,17)(H,18,19)	C13H14N2O4	262.261	6	2	92.42	2	6	0	-0.6732	2.57247	2.23	1.479	34.0588	73.2676000000001	1.8995	228.227016449245
Cond-009142	NPE549	3-[(2,2-diethoxyethyl)sulfanyl]-5-ethyl-5H-indolo[2,3-e][1,2,4]triazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	88.894120971	CCOC(CSc1nc2c(nn1)c1ccccc1n2CC)OCC	InChI=1S/C17H22N4O2S/c1-4-21-13-10-8-7-9-12(13)15-16(21)18-17(20-19-15)24-11-14(22-5-2)23-6-3/h7-10,14H,4-6,11H2,1-3H3	C17H22N4O2S	346.447	6	0	87.36	3	8	0	1.4975	4.70617000000001	2.56	3.983	51.7909	99.39	2.6002	297.076587324724
Cond-009143	NPE55	1-{3-[4-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-piperazin-1-yl]-propyl}-1,3-dihydro-benzoimidazol-2-one HCl/CH3CH2OH	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.857037207	O=c1[nH]c2c(cccc2)n1CCCN1CCN(CC1)C1Cc2c(Cc3ccccc13)cccc2	InChI=1S/C29H32N4O/c34-29-30-26-12-5-6-13-27(26)33(29)15-7-14-31-16-18-32(19-17-31)28-21-23-9-2-1-8-22(23)20-24-10-3-4-11-25(24)28/h1-6,8-13,28H,7,14-21H2,(H,30,34)	C29H32N4O	452.591	5	1	38.82	6	5	1	-0.3515	4.60378000000001	4.1	7.584	59.7877	138.8697	3.571	429.713941171364
Cond-009144	NPE550	3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3H-1,3,9a,10-tetraaza-anthracene-4,9-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.1197026374	COc1ccc(CCn2cnn3c(=O)c4ccccc4nc3c2=O)cc1OC	InChI=1S/C20H18N4O4/c1-27-16-8-7-13(11-17(16)28-2)9-10-23-12-21-24-18(20(23)26)22-15-6-4-3-5-14(15)19(24)25/h3-8,11-12H,9-10H2,1-2H3	C20H18N4O4	378.381	8	0	83.8	4	5	0	-1.1055	2.08388	2.78	3.263	52.4282	106.998	2.6962	336.033677041846
Cond-009145	NPE551	3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonyl)bicyclo[2.2.1]hepta-5-ene-2-carboylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.560199554	COc1ccc(CCNC(=O)C2C3CC(C=C3)C2C(=O)O)cc1OC	InChI=1S/C19H23NO5/c1-24-14-6-3-11(9-15(14)25-2)7-8-20-18(21)16-12-4-5-13(10-12)17(16)19(22)23/h3-6,9,12-13,16-17H,7-8,10H2,1-2H3,(H,20,21)(H,22,23)	C19H23NO5	345.39	6	2	84.86	3	8	0	-1.0824	2.04548	2.89	1.792	66.4892	94.5855000000001	2.5952	328.33993199604
Cond-009146	NPE552	3-[2-(3-Carboxymethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-benzothiazol-3-yl]-propane-1-sulfonic acid anion Na+	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.9395608599	OC(=O)CN1C(=S)S/C(=c\2/sc3c(cccc3)n2CCCS(=O)(=O)[O-])/C1=O	InChI=1S/C15H14N2O6S4/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23)/p-1/b14-12+	C15H13N2O6S4-	445.534	8	1	209.12	3	6	0	-0.0418000000000006	2.64897	1.79	1.333	79.306	101.9267	2.7796	349.024388580501
Cond-009147	NPE553	3-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.521022834	CC(=C1C2CCC1C(C2C(=O)O)C(=O)NCCc1cc(Cl)ccc1)C	InChI=1S/C20H24ClNO3/c1-11(2)16-14-6-7-15(16)18(20(24)25)17(14)19(23)22-9-8-12-4-3-5-13(21)10-12/h3-5,10,14-15,17-18H,6-9H2,1-2H3,(H,22,23)(H,24,25)	C20H24ClNO3	361.862	4	2	66.4	3	6	0	1.6507	3.85198	3.11	3.68	71.6156	100.3425	2.7411	343.266530991218
Cond-009148	NPE554	3-(2,3-dimethoxyphenyl)-1-(9-methyl-2-phenyl-9H-imidazo[1,2-a]benzimidazol-3-yl)-2-propen-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.3528634471	COc1c(OC)c(/C=C\C(=O)c2c(nc3n(C)c4ccccc4n23)c2ccccc2)ccc1	InChI=1S/C27H23N3O3/c1-29-20-13-7-8-14-21(20)30-25(24(28-27(29)30)18-10-5-4-6-11-18)22(31)17-16-19-12-9-15-23(32-2)26(19)33-3/h4-17H,1-3H3/b17-16-	C27H23N3O3	437.49	6	0	57.76	5	6	1	0.122400000000001	6.45595000000001	3.77	6.791	41.7138	135.982	3.28640000000001	384.352747710986
Cond-009149	NPE555	3-[2-(3-Methoxy-phenoxy)-ethylsulfanyl]-1,2,4-triazolo[3,4-b]benzothiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5796675979	COc1cc(OCCSc2nnc3sc4c(cccc4)n23)ccc1	InChI=1S/C17H15N3O2S2/c1-21-12-5-4-6-13(11-12)22-9-10-23-16-18-19-17-20(16)14-7-2-3-8-15(14)24-17/h2-8,11H,9-10H2,1H3	C17H15N3O2S2	357.45	5	0	102.19	4	6	0	1.0117	5.84006	2.56	4.724	36.8443	102.767	2.4693	276.059475071757
Cond-009150	NPE556	3-[2-(3-Trifluoromethyl-phenoxy)-ethyl]-1,2,3,4,5,6-hexahydro-benz[f]isoquinolinium; chloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.1015199583	O=N(=O)c1ccc(Sc2cc(=O)n(CCNc3c(Cl)cc(cn3)C(F)(F)F)c(=O)[nH]2)cc1	InChI=1S/C18H13ClF3N5O4S/c19-13-7-10(18(20,21)22)9-24-16(13)23-5-6-26-15(28)8-14(25-17(26)29)32-12-3-1-11(2-4-12)27(30)31/h1-4,7-9H,5-6H2,(H,23,24)(H,25,29)	C18H13ClF3N5O4S	487.84	9	2	142.77	3	8	0	2.3151	3.97056	1.9	4.018	59.6265	109.9834	2.9618	376.717695078032
Cond-009151	NPE557	3-[2-(4-Bromo-phenyl)-4-[(E)-methoxyimino]-6-methyl-4,5,6,7-tetrahydro-indol-1-yl]-propionic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	89.8662012798	CO/N=C/1\CC(C)Cc2c1cc(n2CCC(=O)O)c1ccc(Br)cc1	InChI=1S/C19H21BrN2O3/c1-12-9-16(21-25-2)15-11-17(13-3-5-14(20)6-4-13)22(18(15)10-12)8-7-19(23)24/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)/b21-16+	C19H21BrN2O3	405.286	5	1	63.82	3	5	0	0.7818	5.01258	2.89	4.642	59.8466	106.0198	2.7096	327.503399079852
Cond-009152	NPE558	3-{[2-(4-butoxybenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.8389277952	CCCCOc1ccc(cc1)C(=O)NNC(=O)C1C2CCC(C2)C1C(=O)O	InChI=1S/C20H26N2O5/c1-2-3-10-27-15-8-6-12(7-9-15)18(23)21-22-19(24)16-13-4-5-14(11-13)17(16)20(25)26/h6-9,13-14,16-17H,2-5,10-11H2,1H3,(H,21,23)(H,22,24)(H,25,26)	C20H26N2O5	374.431	7	3	104.73	3	10	0	-2.5046	2.60729	2.89	3.468	66.7733	101.1437	2.8359	356.632676830074
Cond-009153	NPE559	3-(2,4-dichlorophenyl)pentanedioic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2627681792	OC(=O)CC(CC(=O)O)c1c(Cl)cc(Cl)cc1	InChI=1S/C11H10Cl2O4/c12-7-1-2-8(9(13)5-7)6(3-10(14)15)4-11(16)17/h1-2,5-6H,3-4H2,(H,14,15)(H,16,17)	C11H10Cl2O4	277.101	4	2	74.6	1	5	0	0.7725	3.26029	2.01	1.989	37.571	66.9516	1.8145	227.956579723645
Cond-009154	NPE56	1-{3-[4-(10,11-Dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-propyl}-1,3-dihydro-benzoimidazol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.0590552115	O=c1[nH]c2ccccc2n1CCC[NH+]1CCN(CC1)C1Cc2ccccc2Sc2ccccc12	InChI=1S/C28H30N4OS/c33-28-29-23-10-3-4-11-24(23)32(28)15-7-14-30-16-18-31(19-17-30)25-20-21-8-1-5-12-26(21)34-27-13-6-2-9-22(25)27/h1-6,8-13,25H,7,14-20H2,(H,29,33)/p+1	C28H31N4OS+	471.637	5	2	65.32	6	5	1	-1.6742	3.31447000000001	3.88	5.845	60.0822	136.8194	3.6151	432.245209953497
Cond-009155	NPE560	{3-[2-(4-Dimethylamino-phenyl)-2-oxo-ethyl]-3-hydroxy-2-oxo-2,3-dihydro-indol-1-yl}-acetic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6523637744	CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(cc2)N(C)C)c2c1cccc2	InChI=1S/C22H24N2O5/c1-4-29-20(26)14-24-18-8-6-5-7-17(18)22(28,21(24)27)13-19(25)15-9-11-16(12-10-15)23(2)3/h5-12,28H,4,13-14H2,1-3H3	C22H24N2O5	396.436	7	1	87.15	3	8	0	-1.3314	2.59749	3.11	3.128	57.3399	112.1963	2.9887	372.415269979408
Cond-009156	NPE561	3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.5319597284	C[NH+]1CC[NH+](CC[N+]2=C(C=[N+]3c4ccccc4N=C23)c2ccccc2)CC1	InChI=1S/C22H25N5/c1-24-11-13-25(14-12-24)15-16-26-21(18-7-3-2-4-8-18)17-27-20-10-6-5-9-19(20)23-22(26)27/h2-10,17H,11-16H2,1H3/q+2/p+2	C22H27N5++++	361.483	5	2	27.26	5	4	1	-3.2587	-0.491319999999998	3.33	5.443	53.7237	113.0554	2.8634	342.014417101102
Cond-009157	NPE562	3-(2-Amino-ethyl)-5-benzyloxy-1H-indole-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.070552583	[NH3+]CCc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)[O-]	InChI=1S/C18H18N2O3/c19-9-8-14-15-10-13(23-11-12-4-2-1-3-5-12)6-7-16(15)20-17(14)18(21)22/h1-7,10,20H,8-9,11,19H2,(H,21,22)	C18H18N2O3	310.347	5	4	92.79	3	6	0	-2.6572	0.446980000000003	2.89	3.652	23.7368	88.6011	2.3507	277.387336775618
Cond-009158	NPE563	3-(2-Amino-ethyl)-5-nitro-1H-indole-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2182395	[NH3+]CCc1c([nH]c2ccc(cc12)N(=O)=O)C(=O)[O-]	InChI=1S/C11H11N3O4/c12-4-3-7-8-5-6(14(17)18)1-2-9(8)13-10(7)11(15)16/h1-2,5,13H,3-4,12H2,(H,15,16)	C11H11N3O4	249.223	7	4	126.7	2	4	0	-1.8546	-1.02532	1.9	1.075	21.2955	67.1111	1.7175	204.631807405678
Cond-009159	NPE564	3-(2-Amino-ethylsulfanyl)-1-(4-methoxy-phenyl)-pyrrolidine-2,5-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.0229732295	COc1ccc(cc1)N1C(=O)CC(SCCN)C1=O	InChI=1S/C13H16N2O3S/c1-18-10-4-2-9(3-5-10)15-12(16)8-11(13(15)17)19-7-6-14/h2-5,11H,6-8,14H2,1H3	C13H16N2O3S	280.343	5	2	97.93	2	5	0	-1.0685	1.77998	2.23	0.767	49.0108	79.0714	2.0473	251.482272507084
Cond-009160	NPE565	3-[2-(benzyloxy)phenoxy]-N,2-dimethyl-1-propaneamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4031420957	CNCC(C)COc1c(OCc2ccccc2)cccc1	InChI=1S/C18H23NO2/c1-15(12-19-2)13-20-17-10-6-7-11-18(17)21-14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3	C18H23NO2	285.381	3	1	30.49	2	8	1	-0.458100000000001	3.66119	3.11	5.085	34.9068	87.1067000000001	2.3868	286.12972596929
Cond-009161	NPE566	3-(2-naphthylsulfonyl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5614375681	OC(=O)CCS(=O)(=O)c1cc2ccccc2cc1	InChI=1S/C13H12O4S/c14-13(15)7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)	C13H12O4S	264.297	4	1	79.82	2	4	0	-0.6186	2.83598	2.34	3.504	25.1223	67.1928	1.8634	224.742520090511
Cond-009162	NPE567	3-(2-oxo-1H-1,2,4-triazino[2,3-a]benzimidazol-3-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9878520417	OC(=O)CCc1nn2c([nH]c1=O)nc1c2cccc1	InChI=1S/C12H10N4O3/c17-10(18)6-5-8-11(19)14-12-13-7-3-1-2-4-9(7)16(12)15-8/h1-4H,5-6H2,(H,17,18)(H,13,14,19)	C12H10N4O3	258.233	7	2	96.58	3	3	0	-0.8974	2.10157	2.01	1.325	33.2603	73.3905	1.7479	209.14140813755
Cond-009163	NPE568	3-(2-oxopropyl)-7,9-diphenylpyrido[3',2':5,6]furo[3,2-d]pyrimidin-4(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.401774835	CC(=O)Cn1cnc2c(oc3c2c(cc(n3)c2ccccc2)c2ccccc2)c1=O	InChI=1S/C24H17N3O3/c1-15(28)13-27-14-25-21-20-18(16-8-4-2-5-9-16)12-19(17-10-6-3-7-11-17)26-23(20)30-22(21)24(27)29/h2-12,14H,13H2,1H3	C24H17N3O3	395.41	6	0	75.77	5	4	1	-1.2788	5.16056	3.44	6.502	31.944	123.559	2.8637	343.364793833385
Cond-009164	NPE569	3-(2-phenylethyl)-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-4(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2588703412	CCCN1CCc2c(C1)sc1c2c(=O)n(CCc2ccccc2)c(S)n1	InChI=1S/C20H23N3OS2/c1-2-10-22-11-9-15-16(13-22)26-18-17(15)19(24)23(20(25)21-18)12-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,21,25)	C20H23N3OS2	385.546	4	0	102.95	4	5	1	1.354	3.17088	3	5.071	69.587	110.753	2.8763	343.593660949596
Cond-009165	NPE57	1-{3-[4-(10,11-Dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-propyl}-1,3-dihydro-benzoimidazol-2-one 2HCl/H2O	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	15.290847423	O=c1[nH]c2c(cccc2)n1CCCN1CCN(CC1)C1Cc2ccccc2Sc2c1cccc2	InChI=1S/C28H30N4OS/c33-28-29-23-10-3-4-11-24(23)32(28)15-7-14-30-16-18-31(19-17-30)25-20-21-8-1-5-12-26(21)34-27-13-6-2-9-22(25)27/h1-6,8-13,25H,7,14-20H2,(H,29,33)	C28H30N4OS	470.629	5	1	64.12	6	5	1	-0.217099999999999	4.73157000000001	3.88	6.004	62.9802	137.6957	3.5936	430.926980603097
Cond-009166	NPE570	3-[3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-1-methyl-1,3-dihydro-indol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5273923955	COc1ccc(CCN2C(=S)S/C(=C/3\C(=O)N(C)c4ccccc34)/C2=O)cc1OC	InChI=1S/C22H20N2O4S2/c1-23-15-7-5-4-6-14(15)18(20(23)25)19-21(26)24(22(29)30-19)11-10-13-8-9-16(27-2)17(12-13)28-3/h4-9,12H,10-11H2,1-3H3/b19-18-	C22H20N2O4S2	440.535	6	0	116.47	4	5	0	0.7063	3.54548	3	3.257	73.5285	124.105	3.1054	385.650173992446
Cond-009167	NPE571	3-[3-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.77235618	OC(=O)CCC1CCCC(CCC(=O)O)C1=O	InChI=1S/C12H18O5/c13-10(14)6-4-8-2-1-3-9(12(8)17)5-7-11(15)16/h8-9H,1-7H2,(H,13,14)(H,15,16)	C12H18O5	242.268	5	2	91.67	1	6	0	-0.228800000000001	1.93529	2.23	0.456	56.845	62.8206	1.8553	239.793572910806
Cond-009168	NPE572	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7725460414	OC(=O)CCc1nc(no1)c1ccc(Cl)cc1	InChI=1S/C11H9ClN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)	C11H9ClN2O3	252.654	5	1	76.22	2	4	0	0.0971999999999997	3.09468	2.01	2.594	21.9148	65.8688	1.6814	200.055888267384
Cond-009169	NPE573	3-{[3,5-bis(isopropoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3503984545	CC(C)OC(=O)c1cc(NC(=O)C2C3OC(C=C3)C2C(=O)O)cc(c1)C(=O)OC(C)C	InChI=1S/C22H25NO8/c1-10(2)29-21(27)12-7-13(22(28)30-11(3)4)9-14(8-12)23-19(24)17-15-5-6-16(31-15)18(17)20(25)26/h5-11,15-18H,1-4H3,(H,23,24)(H,25,26)	C22H25NO8	431.436	9	2	128.23	3	10	0	-1.0289	3.16987	2.89	2.23	83.6115	111.8075	3.108	401.325648573724
Cond-009170	NPE574	3-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-propionic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1560206449	OC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O	InChI=1S/C12H15NO4/c14-8(15)3-4-13-11(16)9-6-1-2-7(5-6)10(9)12(13)17/h6-7,9-10H,1-5H2,(H,14,15)	C12H15NO4	237.252	5	1	74.68	3	3	0	-1.2797	0.72609	2.23	0.203	55.4815	60.0268	1.6792	217.287189016811
Cond-009171	NPE575	3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]deca-4-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.1006736097	OC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O	InChI=1S/C12H15NO4/c14-8(15)3-4-13-11(16)9-6-1-2-7(5-6)10(9)12(13)17/h6-7,9-10H,1-5H2,(H,14,15)	C12H15NO4	237.252	5	1	74.68	3	3	0	-1.2797	0.72609	2.23	0.203	55.4815	60.0268	1.6792	217.287189016811
Cond-009172	NPE576	3-[3-amino-3-(2-hydroxynaphthyl)propanoyl]-4-hydroxy-1-methylhydroquinolin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.4760099514	Cn1c(=O)c(C(=O)CC([NH3+])c2c3ccccc3ccc2O)c([O-])c2c1cccc2	InChI=1S/C23H20N2O4/c1-25-17-9-5-4-8-15(17)22(28)21(23(25)29)19(27)12-16(24)20-14-7-3-2-6-13(14)10-11-18(20)26/h2-11,16,26,28H,12,24H2,1H3	C23H20N2O4	388.416	6	4	108.31	4	4	1	-3.6848	1.67098	3.33	5.151	37.4221	111.7261	2.8763	352.391651802313
Cond-009173	NPE577	3-(3-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.7168318697	CCc1cc2c(s1)nc(CCC(=O)O)n(N)c2=O	InChI=1S/C11H13N3O3S/c1-2-6-5-7-10(18-6)13-8(3-4-9(15)16)14(12)11(7)17/h5H,2-4,12H2,1H3,(H,15,16)	C11H13N3O3S	267.304	6	3	124.23	2	4	0	-1.0119	1.66638	1.9	0.0939999999999999	51.8457	72.0767	1.8653	227.887063463517
Cond-009174	NPE578	3-({[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.6187179694	CC1CCc2c(C1)sc(NC(=O)C1C3CC(C=C3)C1C(=O)O)c2C(=O)N	InChI=1S/C19H22N2O4S/c1-8-2-5-11-12(6-8)26-18(15(11)16(20)22)21-17(23)13-9-3-4-10(7-9)14(13)19(24)25/h3-4,8-10,13-14H,2,5-7H2,1H3,(H2,20,22)(H,21,23)(H,24,25)	C19H22N2O4S	374.454	6	4	137.73	4	5	0	-0.776400000000001	1.78537	2.78	1.959	80.6465	97.3119	2.6912	336.699030860446
Cond-009175	NPE579	3,3'-bis(2-carboxyethyl)-4,4'-dioxo-2,2'-dithioxo-5,5'-bis(1,3-thiazolidin-5-ylidene)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.74426106	OC(=O)CCN1C(=S)S/C(=C\2/SC(=S)N(CCC(=O)O)C2=O)/C1=O	InChI=1S/C12H10N2O6S4/c15-5(16)1-3-13-9(19)7(23-11(13)21)8-10(20)14(12(22)24-8)4-2-6(17)18/h1-4H2,(H,15,16)(H,17,18)/b8-7+	C12H10N2O6S4	406.478	8	2	230	2	6	0	1.687	1.02808	1.46	-1.426	98.2724	98.3086	2.487	321.7111227541
Cond-009176	NPE58	1-(3,4-Dichloro-phenoxy)-3-[2-(3-trifluoromethyl-pyridin-2-ylamino)-ethylamino]-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.7514512499	OC(CNCCNc1c(cccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1	InChI=1S/C17H18Cl2F3N3O2/c18-14-4-3-12(8-15(14)19)27-10-11(26)9-23-6-7-25-16-13(17(20,21)22)2-1-5-24-16/h1-5,8,11,23,26H,6-7,9-10H2,(H,24,25)	C17H18Cl2F3N3O2	424.245	5	3	66.41	2	10	0	1.1275	4.46819	2.23	3.65	50.6962	101.1522	2.7434	339.452073851543
Cond-009177	NPE580	3,3-Dimethyl-2,3-dihydro-1H-indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.650103311	CC1(C)CNc2c1cccc2	InChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3	C10H13N	147.217	1	1	12.03	2	0	0	0.5054	2.98979	2.45	2.896	21.6369	48.2007	1.2712	148.990771663634
Cond-009178	NPE581	3-({[3-(methoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.3000617135	COC(=O)c1c(NC(=O)C2C3CCC(C3)C2C(=O)O)sc(C)c1c1ccc(C)cc1	InChI=1S/C23H25NO5S/c1-11-4-6-13(7-5-11)16-12(2)30-21(19(16)23(28)29-3)24-20(25)17-14-8-9-15(10-14)18(17)22(26)27/h4-7,14-15,17-18H,8-10H2,1-3H3,(H,24,25)(H,26,27)	C23H25NO5S	427.513	6	2	120.94	4	7	1	0.480700000000001	3.47223	3.22	5.667	72.2951	113.1745	3.1277	387.503518454708
Cond-009179	NPE582	3-(3-morpholin-4-ylpropyl)-2-(2-pyridyl)-1,2,3-trihydroquinazolin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.9783614492	O=C1N(CCCN2CCOCC2)C(Nc2c1cccc2)c1ncccc1	InChI=1S/C20H24N4O2/c25-20-16-6-1-2-7-17(16)22-19(18-8-3-4-9-21-18)24(20)11-5-10-23-12-14-26-15-13-23/h1-4,6-9,19,22H,5,10-15H2	C20H24N4O2	352.43	6	1	57.7	4	5	0	-1.2823	2.45759	3	2.575	49.6209	103.5057	2.7078	326.362599743124
Cond-009180	NPE583	3-{3-nitrophenyl}-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7653893141	O=N(=O)c1cccc(c1)C1Nc2c(c3ccccc3cc2)c2c1c(=O)oc1ccccc21	InChI=1S/C26H16N2O4/c29-26-24-23(19-10-3-4-11-21(19)32-26)22-18-9-2-1-6-15(18)12-13-20(22)27-25(24)16-7-5-8-17(14-16)28(30)31/h1-14,25,27H	C26H16N2O4	420.416	6	1	81.47	6	2	1	0.1748	6.30566	3.66	8.025	24.758	127.0877	2.95280000000001	360.757312175913
Cond-009181	NPE584	3-(3-oxo-2H-benzo[e]1,4-oxazin-4-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0985380672	OC(=O)CCN1C(=O)COc2ccccc12	InChI=1S/C11H11NO4/c13-10-7-16-9-4-2-1-3-8(9)12(10)6-5-11(14)15/h1-4H,5-7H2,(H,14,15)	C11H11NO4	221.209	5	1	66.84	2	3	0	-1.1841	2.14847	2.12	0.742	30.1033	62.2708	1.5609	196.174745690145
Cond-009182	NPE585	3-(3-pyridylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6779950636	FC(F)(F)c1cc(OCc2cccnc2)c(nc1)C#N	InChI=1S/C13H8F3N3O/c14-13(15,16)10-4-12(11(5-17)19-7-10)20-8-9-2-1-3-18-6-9/h1-4,6-7H,8H2	C13H8F3N3O	279.217	4	0	58.8	2	4	0	0.9903	2.33169	2.12	2.685	18.9645	62.507	1.7903	225.782855705047
Cond-009183	NPE586	3-[4-(2,3-dimethoxy-benzyl)-piperazine-1-ylmethyl]-1H-indole -oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.912376677	COc1c(OC)c(C[NH+]2CC[NH+](Cc3c[nH]c4ccccc34)CC2)ccc1	InChI=1S/C22H27N3O2/c1-26-21-9-5-6-17(22(21)27-2)15-24-10-12-25(13-11-24)16-18-14-23-20-8-4-3-7-19(18)20/h3-9,14,23H,10-13,15-16H2,1-2H3/p+2	C22H29N3O2++	367.485	5	3	43.13	4	6	0	-3.3422	0.523200000000004	3.33	2.704	46.2048	109.2004	2.9328	341.694267487491
Cond-009184	NPE587	3-({[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.2774960423	Cc1cc(C)c(cc1)c1csc(NC(=O)C2C3CCC(C3)C2C(=O)O)n1	InChI=1S/C20H22N2O3S/c1-10-3-6-14(11(2)7-10)15-9-26-20(21-15)22-18(23)16-12-4-5-13(8-12)17(16)19(24)25/h3,6-7,9,12-13,16-17H,4-5,8H2,1-2H3,(H,24,25)(H,21,22,23)	C20H22N2O3S	370.465	5	2	107.53	4	5	0	0.671999999999999	4.89382	3	4.958	60.0763	104.5835	2.7304	331.668330084952
Cond-009185	NPE588	3-({[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2515763772	Cc1ccc(C)c(c1)c1csc(NC(=O)C2C3CCC(C3)C2C(=O)O)n1	InChI=1S/C20H22N2O3S/c1-10-3-4-11(2)14(7-10)15-9-26-20(21-15)22-18(23)16-12-5-6-13(8-12)17(16)19(24)25/h3-4,7,9,12-13,16-17H,5-6,8H2,1-2H3,(H,24,25)(H,21,22,23)	C20H22N2O3S	370.465	5	2	107.53	4	5	0	0.671999999999999	4.89382	3	4.958	60.0763	104.5835	2.7304	331.668330084952
Cond-009186	NPE589	3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.1816254796	COC(=O)c1c(NC(=O)C2C3CCC(C3)C2C(=O)O)sc(C)c1c1cc(C)ccc1C	InChI=1S/C24H27NO5S/c1-11-5-6-12(2)16(9-11)17-13(3)31-22(20(17)24(29)30-4)25-21(26)18-14-7-8-15(10-14)19(18)23(27)28/h5-6,9,14-15,18-19H,7-8,10H2,1-4H3,(H,25,26)(H,27,28)	C24H27NO5S	441.54	6	2	120.94	4	7	1	1.1227	3.55496	3.33	5.99	77.7972	117.0805	3.2686	404.799503080574
Cond-009187	NPE59	1-(3,4-dihydroxyphenyl)-2-[(4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidine-2-yl)sulfanyl]ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.9379997195	Cc1nc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(O)c2c(C)c1	InChI=1S/C17H15N3O4S/c1-8-5-9(2)18-15-14(8)16(24)20-17(19-15)25-7-13(23)10-3-4-11(21)12(22)6-10/h3-6,21-22H,7H2,1-2H3,(H,18,19,20,24)	C17H15N3O4S	357.384	7	3	141.73	3	4	0	-0.1744	2.43921	2.45	2.132	36.6299	92.1254	2.4888	295.750904415279
Cond-009188	NPE590	3-({[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.1427728139	Cc1c(nc(NC(=O)C2C3CCC(C3)C2C(=O)O)s1)c1cc(C)ccc1C	InChI=1S/C21H24N2O3S/c1-10-4-5-11(2)15(8-10)18-12(3)27-21(22-18)23-19(24)16-13-6-7-14(9-13)17(16)20(25)26/h4-5,8,13-14,16-17H,6-7,9H2,1-3H3,(H,25,26)(H,22,23,24)	C21H24N2O3S	384.492	5	2	107.53	4	5	1	1.1115	4.43414	3.11	5.07	65.8088	105.0415	2.8713	348.964314710819
Cond-009189	NPE591	3-[4-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-propanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.8036699811	OCCC[NH+]1CCN(CC1)C1Cc2cc(Cl)ccc2Sc2cc(F)ccc12	InChI=1S/C21H24ClFN2OS/c22-16-2-5-20-15(12-16)13-19(18-4-3-17(23)14-21(18)27-20)25-9-7-24(8-10-25)6-1-11-26/h2-5,12,14,19,26H,1,6-11,13H2/p+1	C21H25ClFN2OS+	407.952	3	2	53.21	4	4	0	-0.282799999999999	1.51018	3.11	3.619	59.1923	105.1045	2.9585	356.617175981636
Cond-009190	NPE592	3-({[4-(2-chlorophenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.5898467896	COC(=O)c1c(NC(=O)C2C3CCC(C3)C2C(=O)O)scc1c1c(Cl)cccc1	InChI=1S/C21H20ClNO5S/c1-28-21(27)17-13(12-4-2-3-5-14(12)22)9-29-19(17)23-18(24)15-10-6-7-11(8-10)16(15)20(25)26/h2-5,9-11,15-16H,6-8H2,1H3,(H,23,24)(H,25,26)	C21H20ClNO5S	433.905	6	2	120.94	4	7	0	0.143499999999999	4.01488	2.89	4.484	66.6761	110.6385	2.9683	368.122616973407
Cond-009191	NPE593	3-[4-((2E)-3-phenylprop-2-enyl)piperazinyl]-1-(4-benzoxazol-2-ylphenyl)azolidine-2,5-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.5596390331	O=C1CC(N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(cc1)c1nc2ccccc2o1	InChI=1S/C30H28N4O3/c35-28-21-26(33-19-17-32(18-20-33)16-6-9-22-7-2-1-3-8-22)30(36)34(28)24-14-12-23(13-15-24)29-31-25-10-4-5-11-27(25)37-29/h1-15,26H,16-21H2/p+1/b9-6+	C30H29N4O3+	493.576	7	1	71.09	6	6	1	-1.9396	4.07246000000001	3.99	6.57	58.6517	147.4857	3.7218	447.099232446353
Cond-009192	NPE594	3-{[4-(2-furoyl)-1-piperazinyl]acetyl}-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2711501292	Cc1ccc2n3CCN(C4CCCc(c2c1)c34)C(=O)C[NH+]1CCN(CC1)C(=O)c1ccco1	InChI=1S/C26H30N4O3/c1-18-7-8-21-20(16-18)19-4-2-5-22-25(19)30(21)14-13-29(22)24(31)17-27-9-11-28(12-10-27)26(32)23-6-3-15-33-23/h3,6-8,15-16,22H,2,4-5,9-14,17H2,1H3/p+1	C26H31N4O3+	447.549	7	1	63.13	6	5	0	-2.9086	1.5553	3.55	2.629	71.8239	126.4297	3.3732	401.997587446886
Cond-009193	NPE595	3-({[4-(2-naphthyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.468922187	OC(=O)C1C2CCC(O2)C1C(=O)Nc1nc(cs1)c1ccc2ccccc2c1	InChI=1S/C21H18N2O4S/c24-19(17-15-7-8-16(27-15)18(17)20(25)26)23-21-22-14(10-28-21)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10,15-18H,7-8H2,(H,25,26)(H,22,23,24)	C21H18N2O4S	394.444	6	2	116.76	5	5	0	-1.4043	5.06757000000001	3	4.617	43.9356	111.6075	2.7354	329.225165308979
Cond-009194	NPE596	3-({[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.6246746626	OC(=O)C1C2CCC(C2)C1C(=O)Nc1nc(cs1)c1ccc(Cl)c(Cl)c1	InChI=1S/C18H16Cl2N2O3S/c19-11-4-3-8(6-12(11)20)13-7-26-18(21-13)22-16(23)14-9-1-2-10(5-9)15(14)17(24)25/h3-4,6-7,9-10,14-15H,1-2,5H2,(H,24,25)(H,21,22,23)	C18H16Cl2N2O3S	411.302	5	2	107.53	4	5	0	0.8766	6.08987	2.56	3.871	60.3033	107.0575	2.6934	327.498496374085
Cond-009195	NPE597	3-({[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.7926695109	Cc1ccc(cc1C)c1csc(NC(=O)C2C3CCC(C3)C2C(=O)O)n1	InChI=1S/C20H22N2O3S/c1-10-3-4-12(7-11(10)2)15-9-26-20(21-15)22-18(23)16-13-5-6-14(8-13)17(16)19(24)25/h3-4,7,9,13-14,16-17H,5-6,8H2,1-2H3,(H,24,25)(H,21,22,23)	C20H22N2O3S	370.465	5	2	107.53	4	5	0	0.671999999999999	4.83911000000001	3	4.958	60.0763	104.3175	2.7304	331.668330084952
Cond-009196	NPE598	3-({[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3070916848	COC(=O)c1c(NC(=O)C2C3CCC(C3)C2C(=O)O)sc(C)c1c1cc(C)c(C)cc1	InChI=1S/C24H27NO5S/c1-11-5-6-14(9-12(11)2)17-13(3)31-22(20(17)24(29)30-4)25-21(26)18-15-7-8-16(10-15)19(18)23(27)28/h5-6,9,15-16,18-19H,7-8,10H2,1-4H3,(H,25,26)(H,27,28)	C24H27NO5S	441.54	6	2	120.94	4	7	1	1.1227	3.50025	3.33	5.99	77.7972	116.8145	3.2686	404.799503080574
Cond-009197	NPE599	3-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.4758646596	Cc1c(nc(NC(=O)C2C3CCC(C3)C2C(=O)O)s1)c1cc(C)c(C)cc1	InChI=1S/C21H24N2O3S/c1-10-4-5-15(8-11(10)2)18-12(3)27-21(22-18)23-19(24)16-13-6-7-14(9-13)17(16)20(25)26/h4-5,8,13-14,16-17H,6-7,9H2,1-3H3,(H,25,26)(H,22,23,24)	C21H24N2O3S	384.492	5	2	107.53	4	5	1	1.1115	4.37943	3.11	5.07	65.8088	104.7755	2.8713	348.964314710819
Cond-009198	NPE6	10-Chloro-2-(3-methoxy-propyl)-benzo[lmn]benzo[4,5]imidazo[2,1-b][3,8]phenanthroline-1,3,6-trione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1899727546	COCCCn1c(=O)c2ccc3c4nc5c(ccc(Cl)c5)n4c(=O)c4ccc(c1=O)c2c34	InChI=1S/C24H16ClN3O4/c1-32-10-2-9-27-22(29)14-5-4-13-19-16(7-6-15(20(14)19)23(27)30)24(31)28-18-8-3-12(25)11-17(18)26-21(13)28/h3-8,11H,2,9-10H2,1H3	C24H16ClN3O4	445.855	7	0	81.5	6	4	0	-0.9654	4.56628	3.22	3.074	45.0919	124.22	2.9792	357.64608830438
Cond-009199	NPE60	1-(3,4-dimethoxyphenyl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinoline-1-yl)sulfanyl]ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7011736101	COc1c(OC)cc(cc1)C(=O)CSc1nnc2cc(C)c3c(cccc3)n12	InChI=1S/C21H19N3O3S/c1-13-10-20-22-23-21(24(20)16-7-5-4-6-15(13)16)28-12-17(25)14-8-9-18(26-2)19(11-14)27-3/h4-11H,12H2,1-3H3	C21H19N3O3S	393.459	6	0	91.02	4	6	0	0.6766	3.70939	3	4.909	40.7332	108.448	2.8421	330.251698816585
Cond-009200	NPE600	3-{[4-(3-pyridinylmethyl)-1-piperazinyl]methyl}-1H-indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6924299808	C([NH+]1CC[NH+](Cc2cccnc2)CC1)c1c[nH]c2ccccc12	InChI=1S/C19H22N4/c1-2-6-19-18(5-1)17(13-21-19)15-23-10-8-22(9-11-23)14-16-4-3-7-20-12-16/h1-7,12-13,21H,8-11,14-15H2/p+2	C19H24N4++	308.421	4	3	37.56	4	4	0	-3.2386	-0.654499999999998	3.11	2.196	31.5732	91.5644	2.4925	283.222620416935
Cond-009201	NPE601	3-({[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	55.6383853998	CCCCc1ccc(cc1)c1c(C)sc(NC(=O)C2C3CCC(O3)C2C(=O)O)n1	InChI=1S/C22H26N2O4S/c1-3-4-5-13-6-8-14(9-7-13)19-12(2)29-22(23-19)24-20(25)17-15-10-11-16(28-15)18(17)21(26)27/h6-9,15-18H,3-5,10-11H2,1-2H3,(H,26,27)(H,23,24,25)	C22H26N2O4S	414.518	6	2	116.76	4	8	0	-1.4271	4.79729000000001	3.11	4.883	66.2554	113.1715	3.0709	375.050526037247
Cond-009202	NPE602	3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.7512141458	OC(=O)C1C2CCC(C2)C1C(=O)Nc1nc(cs1)c1ccc(Cl)cc1	InChI=1S/C18H17ClN2O3S/c19-12-5-3-9(4-6-12)13-8-25-18(20-13)21-16(22)14-10-1-2-11(7-10)15(14)17(23)24/h3-6,8,10-11,14-15H,1-2,7H2,(H,23,24)(H,20,21,22)	C18H17ClN2O3S	376.857	5	2	107.53	4	5	0	0.1323	5.43647	2.67	3.775	54.6877	102.0475	2.571	312.287428603651
Cond-009203	NPE603	3-({[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.2797767582	CCc1ccc(cc1)c1csc(NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)n1	InChI=1S/C23H26N2O3S/c1-4-13-5-7-14(8-6-13)17-11-29-23(24-17)25-21(26)19-15-9-10-16(18(15)12(2)3)20(19)22(27)28/h5-8,11,15-16,19-20H,4,9-10H2,1-3H3,(H,27,28)(H,24,25,26)	C23H26N2O3S	410.529	5	2	107.53	4	6	1	1.5367	6.21796000000001	3.33	5.373	74.98	119.9025	3.1101	380.919825261752
Cond-009204	NPE604	3-{[4-(4-iodophenyl)-1,3-thiazole-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.3439547555	COc1ccc2C(Nc3nc(cs3)c3ccc(I)cc3)OC(=O)c2c1OC	InChI=1S/C19H15IN2O4S/c1-24-14-8-7-12-15(16(14)25-2)18(23)26-17(12)22-19-21-13(9-27-19)10-3-5-11(20)6-4-10/h3-9,17H,1-2H3,(H,21,22)	C19H15IN2O4S	494.303	6	1	97.92	4	5	1	1.5278	5.44868	2.67	5.029	49.1405	116.2697	2.8204	332.266456428312
Cond-009205	NPE605	3-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.124770044	CC(C)Cc1ccc(cc1)c1c(C)sc(NC(=O)C2C3CCC(O3)C2C(=O)[O-])n1	InChI=1S/C22H26N2O4S/c1-11(2)10-13-4-6-14(7-5-13)19-12(3)29-22(23-19)24-20(25)17-15-8-9-16(28-15)18(17)21(26)27/h4-7,11,15-18H,8-10H2,1-3H3,(H,26,27)(H,23,24,25)/p-1	C22H25N2O4S-	413.51	6	1	119.59	4	7	0	-0.748500000000004	3.31849000000001	3.11	4.341	66.4127	110.4727	3.0494	373.732296686847
Cond-009206	NPE606	3-({[4-(4-isopropylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.40639258	CC(C)c1ccc(cc1)c1csc(NC(=O)C2C3CCC(O3)C2C(=O)O)n1	InChI=1S/C20H22N2O4S/c1-10(2)11-3-5-12(6-4-11)13-9-27-20(21-13)22-18(23)16-14-7-8-15(26-14)17(16)19(24)25/h3-6,9-10,14-17H,7-8H2,1-2H3,(H,24,25)(H,21,22,23)	C20H22N2O4S	386.465	6	2	116.76	4	6	0	-0.831400000000001	5.03777000000001	2.89	4.141	58.2034	108.1905	2.7891	340.458556785513
Cond-009207	NPE607	3-({[4-(4-isopropylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	61.767152325	CC(C)c1ccc(cc1)c1csc(NC(=O)C2C3CCC(C3)C2C(=O)O)n1	InChI=1S/C21H24N2O3S/c1-11(2)12-3-5-13(6-4-12)16-10-27-21(22-16)23-19(24)17-14-7-8-15(9-14)18(17)20(25)26/h3-6,10-11,14-15,17-18H,7-9H2,1-2H3,(H,25,26)(H,22,23,24)	C21H24N2O3S	384.492	5	2	107.53	4	6	1	-0.0391000000000008	5.90647000000001	3.11	5.712	63.3399	111.1265	2.8713	348.964314710819
Cond-009208	NPE608	3-({[4-(4-isopropylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9051758834	CC(C)c1ccc(cc1)c1c(C)sc(NC(=O)C2C3CCC(C3)C2C(=O)O)n1	InChI=1S/C22H26N2O3S/c1-11(2)13-4-6-14(7-5-13)19-12(3)28-22(23-19)24-20(25)17-15-8-9-16(10-15)18(17)21(26)27/h4-7,11,15-18H,8-10H2,1-3H3,(H,26,27)(H,23,24,25)	C22H26N2O3S	398.518	5	2	107.53	4	6	1	0.400399999999997	5.44679000000001	3.22	5.824	69.0724	111.5845	3.0122	366.260299336685
Cond-009209	NPE609	3-(4-{5-[5-(3-nitro-phenyl)-furan-2-ylmethylene]-4-oxo-4,5-dihydro-thiazole-2-yl}-piperazine-1-yl)-propionitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6082667041	O=N(=O)c1cc(ccc1)c1ccc(o1)/C=C\1/SC(=NC1=O)N1CC[NH+](CCC#N)CC1	InChI=1S/C21H19N5O4S/c22-7-2-8-24-9-11-25(12-10-24)21-23-20(27)19(31-21)14-17-5-6-18(30-17)15-3-1-4-16(13-15)26(28)29/h1,3-6,13-14H,2,8-12H2/p+1/b19-14+	C21H20N5O4S+	438.48	9	1	142.48	4	6	0	-0.926699999999999	1.65627	2.67	3.571	70.6989	121.5517	3.0789	381.51721658308
Cond-009210	NPE61	1-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-2-(1,3,4-trimethylpyrazolo[4,5-e]pyridin-6-yl)hydrazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.9837114602	Cn1nc(C)c2c(C)cc(NNS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc12	InChI=1S/C17H15F6N5O2S/c1-8-4-13(24-15-14(8)9(2)26-28(15)3)25-27-31(29,30)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-7,27H,1-3H3,(H,24,25)	C17H15F6N5O2S	467.389	7	2	97.29	3	6	1	2.0363	4.66421	1.79	5.832	47.1401	92.9104000000001	2.7632	341.842241933929
Cond-009211	NPE610	3-(4,5-dihydrobenzo[g]benzo[b]thiophen-2-yl)-4-ethyl-5-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-triazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	83.3656896633	CCn1c(SCc2cc(ccc2)C(F)(F)F)nnc1c1cc2c(s1)c1ccccc1CC2	InChI=1S/C24H20F3N3S2/c1-2-30-22(20-13-17-11-10-16-7-3-4-9-19(16)21(17)32-20)28-29-23(30)31-14-15-6-5-8-18(12-15)24(25,26)27/h3-9,12-13H,2,10-11,14H2,1H3	C24H20F3N3S2	471.561	3	0	84.25	5	6	1	2.7816	6.76287000000001	3.22	9.273	49.3531	120.826	3.1967	380.124214500221
Cond-009212	NPE611	3-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-2-quinolinol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4206201587	Oc1nc2ccccc2c(c2ccccc2)c1Sc1nnc(n1CC=C)c1ccccc1	InChI=1S/C26H20N4OS/c1-2-17-30-24(19-13-7-4-8-14-19)28-29-26(30)32-23-22(18-11-5-3-6-12-18)20-15-9-10-16-21(20)27-25(23)31/h2-16H,1,17H2,(H,27,31)	C26H20N4OS	436.528	5	1	89.13	5	6	1	0.8626	7.24534000000001	3.66	9.188	28.1155	131.314	3.2484	376.345635248963
Cond-009213	NPE612	3-[(4-benzyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.6956663484	FC(F)(F)c1cc(nc2c(cnn12)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1	InChI=1S/C25H22F3N5O/c26-25(27,28)22-15-21(19-9-5-2-6-10-19)30-23-20(16-29-33(22)23)24(34)32-13-11-31(12-14-32)17-18-7-3-1-4-8-18/h1-10,15-16H,11-14,17H2	C25H22F3N5O	465.47	6	0	53.74	5	6	1	0.5477	4.57438	3.22	6.902	43.2331	125.767	3.2259	388.549439426983
Cond-009214	NPE613	3,4-bis[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,2,5-oxadiazol-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	32.5897095121	O=n1c(c(no1)c1ncc(cc1Cl)C(F)(F)F)c1ncc(cc1Cl)C(F)(F)F	InChI=1S/C14H4Cl2F6N4O2/c15-7-1-5(13(17,18)19)3-23-9(7)11-12(26(27)28-25-11)10-8(16)2-6(4-24-10)14(20,21)22/h1-4H	C14H4Cl2F6N4O2	445.104	6	0	78.75	3	4	0	3.1388	5.79648	1.46	4.337	27.6645	86.445	2.279	288.234180630628
Cond-009215	NPE614	3-(4-chlorobenzyl)-4-(4-iodoanilino)-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6586772773	OC(=O)CC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1	InChI=1S/C17H15ClINO3/c18-13-3-1-11(2-4-13)9-12(10-16(21)22)17(23)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,23)(H,21,22)	C17H15ClINO3	443.663	4	2	66.4	2	7	0	1.5011	5.05068	2.67	4.856	47.148	102.1735	2.5992	312.838920083083
Cond-009216	NPE615	3,4-dimethyl-6-{[2-(9H-xanthen-9-ylcarbonyl)hydrazino]carbonyl}-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9584881199	CC1=C(C)CC(C(C1)C(=O)O)C(=O)NNC(=O)C1c2ccccc2Oc2ccccc12	InChI=1S/C24H24N2O5/c1-13-11-17(18(24(29)30)12-14(13)2)22(27)25-26-23(28)21-15-7-3-5-9-19(15)31-20-10-6-4-8-16(20)21/h3-10,17-18,21H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)	C24H24N2O5	420.458	7	3	104.73	4	6	0	-0.0946000000000015	4.21768	3.33	3.714	62.978	117.6832	3.1189	392.014321829541
Cond-009217	NPE616	3,4-dimethyl-6-({[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	63.1379490887	CCCc1ccc(cc1)c1c(C)sc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)n1	InChI=1S/C23H28N2O3S/c1-5-6-16-7-9-17(10-8-16)20-15(4)29-23(24-20)25-21(26)18-11-13(2)14(3)12-19(18)22(27)28/h7-10,18-19H,5-6,11-12H2,1-4H3,(H,27,28)(H,24,25,26)	C23H28N2O3S	412.545	5	2	107.53	3	7	1	1.6948	5.90238000000001	3.33	5.386	77.4975	117.9975	3.2187	393.276283962552
Cond-009218	NPE617	3-(4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-ylmethoxy)-pyrido[1,2-a]indole-10-carboxylic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.4880744619	CCOC(=O)c1c2ccccn2c2c1ccc(OCc1nnc(S)n1CC)c2	InChI=1S/C20H20N4O3S/c1-3-23-17(21-22-20(23)28)12-27-13-8-9-14-16(11-13)24-10-6-5-7-15(24)18(14)19(25)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,22,28)	C20H20N4O3S	396.463	7	0	109.45	4	7	0	1.0092	5.05266	2.78	4.289	47.0916	114.835	2.844	326.588933099685
Cond-009219	NPE618	3-[(4-Fluoro-phenyl)-hydrazono]-1-morpholin-4-ylmethyl-1,3-dihydro-indol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.4985456661	Fc1ccc(N/N=C/2\C(=O)N(CN3CCOCC3)c3c2cccc3)cc1	InChI=1S/C19H19FN4O2/c20-14-5-7-15(8-6-14)21-22-18-16-3-1-2-4-17(16)24(19(18)25)13-23-9-11-26-12-10-23/h1-8,21H,9-13H2/b22-18-	C19H19FN4O2	354.378	6	1	57.17	4	4	0	-0.7701	2.40978	2.78	4.304	45.8169	101.8047	2.5416	312.497715266764
Cond-009220	NPE619	3-(4'-methoxy[1,1'-biphenyl]-4-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1361789125	COc1ccc(cc1)c1ccc(CCC(=O)O)cc1	InChI=1S/C16H16O3/c1-19-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(17)18/h2-3,5-10H,4,11H2,1H3,(H,17,18)	C16H16O3	256.296	3	1	46.53	2	5	1	-0.194400000000001	3.66169	2.89	5.38	23.9497	78.5138000000001	2.0209	246.69476450915
Cond-009221	NPE62	1-(3,6-dibromocarbazol-9-yl)-3-[(2-hydroxyethyl)methylamino]propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.8225768266	CN(CCO)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12	InChI=1S/C18H20Br2N2O2/c1-21(6-7-23)10-14(24)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,23-24H,6-7,10-11H2,1H3	C18H20Br2N2O2	456.172	4	2	48.63	3	6	0	0.981699999999999	4.00969	2.78	3.235	56.0668	106.4746	2.728	312.437265431791
Cond-009222	NPE620	3-[(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))methyl]-4-benzyl-1,2,4-triazoline-5-thione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9758464422	[nH]1nc(CSc2nnc(n2C)c2ccccc2)n(Cc2ccccc2)c1=S	InChI=1S/C19H18N6S2/c1-24-17(15-10-6-3-7-11-15)21-23-19(24)27-13-16-20-22-18(26)25(16)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,26)	C19H18N6S2	394.516	6	1	115.73	4	6	1	0.822000000000001	4.20247	2.67	7.5	49.7945	115.5677	2.8471	331.688354145269
Cond-009223	NPE621	3-[(4-methylphenyl)sulfanyl]-1,2-benzothiazole-1,1-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2462243419	Cc1ccc(SC2=NS(=O)(=O)c3ccccc23)cc1	InChI=1S/C14H11NO2S2/c1-10-6-8-11(9-7-10)18-14-12-4-2-3-5-13(12)19(16,17)15-14/h2-9H,1H3	C14H11NO2S2	289.373	3	0	80.18	3	2	0	0.1959	2.80049	2.45	4.435	27.9358	68.267	1.9986	238.970918179423
Cond-009224	NPE622	3-[5-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-furyl]benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.2225282432	CC(=O)N1C(c2ccc(o2)c2cccc(c2)C(=O)O)C2=C(CC(C)(C)CC2=O)Nc2ccccc12	InChI=1S/C28H26N2O5/c1-16(31)30-21-10-5-4-9-19(21)29-20-14-28(2,3)15-22(32)25(20)26(30)24-12-11-23(35-24)17-7-6-8-18(13-17)27(33)34/h4-13,26,29H,14-15H2,1-3H3,(H,33,34)	C28H26N2O5	470.516	7	2	99.85	5	4	1	-0.657800000000001	5.99047000000001	3.77	5.492	65.1029	137.6465	3.4879	432.668884230608
Cond-009225	NPE623	3-[5-[1-(1,3-Diphenyl-1H-pyrazol-4-yl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.0649651972	OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2ccccc2)c2ccccc2)/C1=O	InChI=1S/C22H17N3O3S2/c26-19(27)11-12-24-21(28)18(30-22(24)29)13-16-14-25(17-9-5-2-6-10-17)23-20(16)15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,26,27)/b18-13-	C22H17N3O3S2	435.519	6	1	132.3	4	6	1	1.0906	4.74417	3	5.059	57.1935	125.6798	3.0605	371.683790098452
Cond-009226	NPE624	(3-[5-[1-(4-Chloro-benzenesulfonyl)-1H-pyrazol-3-yl]-thiophen-2-yl]-prop-2-ynyl)-dimethyl-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.0240492833	CN(C)CC#Cc1ccc(s1)c1nn(cc1)S(=O)(=O)c1ccc(Cl)cc1	InChI=1S/C18H16ClN3O2S2/c1-21(2)12-3-4-15-7-10-18(25-15)17-11-13-22(20-17)26(23,24)16-8-5-14(19)6-9-16/h5-11,13H,12H2,1-2H3	C18H16ClN3O2S2	405.922	5	0	91.82	3	4	0	1.2182	4.46217	2.56	3.447	52.1177	101.984	2.7982	329.186527468057
Cond-009227	NPE625	3-[5-(3,3-dimethyl-1-oxo-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-furyl]benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6002039228	CCC(=O)N1C(c2ccc(o2)c2cccc(c2)C(=O)O)C2=C(CC(C)(C)CC2=O)Nc2ccccc12	InChI=1S/C29H28N2O5/c1-4-25(33)31-21-11-6-5-10-19(21)30-20-15-29(2,3)16-22(32)26(20)27(31)24-13-12-23(36-24)17-8-7-9-18(14-17)28(34)35/h5-14,27,30H,4,15-16H2,1-3H3,(H,34,35)	C29H28N2O5	484.543	7	2	99.85	5	5	1	-0.581600000000002	6.38057000000001	3.88	5.745	70.1264	142.2635	3.6288	449.964868856475
Cond-009228	NPE626	3-[5-(3,5-Difluoro-benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.3823006753	CCCCCCC#Cc1cncc(c1)c1nnc(SCc2cc(F)cc(F)c2)n1C	InChI=1S/C23H24F2N4S/c1-3-4-5-6-7-8-9-17-10-19(15-26-14-17)22-27-28-23(29(22)2)30-16-18-11-20(24)13-21(25)12-18/h10-15H,3-7,16H2,1-2H3	C23H24F2N4S	426.525	4	0	68.9	3	8	1	1.2292	5.46255000000001	3.22	7.494	53.8193	115.142	3.1916	384.861324576215
Cond-009229	NPE627	3-{5-[5-bromo-1-(carboxymethyl)-2-oxobenzo[d]azolin-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4777688338	OC(=O)CCN1C(=S)S/C(=C/2\C(=O)N(CC(=O)O)c3ccc(Br)cc23)/C1=O	InChI=1S/C16H11BrN2O6S2/c17-7-1-2-9-8(5-7)12(14(24)19(9)6-11(22)23)13-15(25)18(16(26)27-13)4-3-10(20)21/h1-2,5H,3-4,6H2,(H,20,21)(H,22,23)/b13-12-	C16H11BrN2O6S2	471.302	8	2	172.61	3	5	0	0.6942	2.50467	2.01	0.657	80.8973	107.8106	2.704	344.631256017534
Cond-009230	NPE628	3,5-Bis-[2-(3,4-dimethoxy-phenyl)-ethyl]-perhydro-1,3,5-thiadiazine-2-thione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7667337993	COc1c(OC)cc(CCN2CSC(=S)N(CCc3cc(OC)c(OC)cc3)C2)cc1	InChI=1S/C23H30N2O4S2/c1-26-19-7-5-17(13-21(19)28-3)9-11-24-15-25(23(30)31-16-24)12-10-18-6-8-20(27-2)22(14-18)29-4/h5-8,13-14H,9-12,15-16H2,1-4H3	C23H30N2O4S2	462.625	6	0	100.79	3	10	0	1.7247	4.55769	3.11	4.269	82.184	131.896	3.4839	423.211993421514
Cond-009231	NPE629	3,5-Bis-trifluoromethyl-benzoic acid N'-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-acetyl]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9796865382	FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)CC1Sc2ccccc2NC1=O	InChI=1S/C19H13F6N3O3S/c20-18(21,22)10-5-9(6-11(7-10)19(23,24)25)16(30)28-27-15(29)8-14-17(31)26-12-3-1-2-4-13(12)32-14/h1-7,14H,8H2,(H,26,31)(H,27,29)(H,28,30)	C19H13F6N3O3S	477.38	6	3	112.6	3	8	1	0.7601	3.87458	2.12	5.025	50.8592	103.0971	2.8181	368.85800006829
Cond-009232	NPE63	1-(3,6-dibromocarbazol-9-yl)-3-{4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazinyl}propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3490401396	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCN(CC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)CC1	InChI=1S/C34H32Br4N4O2/c35-21-1-5-31-27(13-21)28-14-22(36)2-6-32(28)41(31)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-7-3-23(37)15-29(33)30-16-24(38)4-8-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2	C34H32Br4N4O2	848.259	6	2	56.8	7	8	1	2.6794	8.80238000000001	4.1	7.468	95.611	196.6636	4.8396	551.789190809124
Cond-009233	NPE630	3,5-Dihydroxy-tetratriacontanoic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	62.692133246	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CC(=O)OC	InChI=1S/C35H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(36)31-34(37)32-35(38)39-2/h33-34,36-37H,3-32H2,1-2H3	C35H70O4	554.928	4	2	66.76	0	33	2	-9.2761	10.83799	4.87	15.229	118.7977	171.4566	5.2319	646.440368707578
Cond-009234	NPE631	(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-acetic acid [3-phenyl-prop-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4949097969	O=C(Cc1n[n-]c(=O)[nH]c1=O)N/N=C/CCc1ccccc1	InChI=1S/C14H15N5O3/c20-12(9-11-13(21)16-14(22)19-17-11)18-15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H3,16,18,19,20,21,22)/p-1/b15-8+	C14H14N5O3-	300.293	8	2	99.99	2	7	0	-1.3938	0.37907	2.12	3.552	50.4435	83.9004	2.1736	274.031908247051
Cond-009235	NPE632	3-(5-methoxy-2,3-dimethyl-1H-indole-1-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4112467526	COc1ccc2n(CCC(=O)[O-])c(C)c(C)c2c1	InChI=1S/C14H17NO3/c1-9-10(2)15(7-6-14(16)17)13-5-4-11(18-3)8-12(9)13/h4-5,8H,6-7H2,1-3H3,(H,16,17)/p-1	C14H16NO3-	246.282	4	0	54.29	2	4	0	0.1717	1.53973	2.56	1.702	35.6513	69.944	1.9034	227.054243516784
Cond-009236	NPE633	3-(5-Phenyl-1H-pyrrol-2-yl)-propionic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.4762062598	[O-]C(=O)CCc1ccc([nH]1)c1ccccc1	InChI=1S/C13H13NO2/c15-13(16)9-7-11-6-8-12(14-11)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,15,16)/p-1	C13H12NO2-	214.24	3	1	55.92	2	4	0	-1.0476	1.16459	2.56	3.295	17.2425	64.116	1.6608	198.331573489556
Cond-009237	NPE634	3-(5-phenyl-2H-tetraazole-2-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3881187208	[O-]C(=O)CCn1nnc(n1)c1ccccc1	InChI=1S/C10H10N4O2/c15-9(16)6-7-14-12-10(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)/p-1	C10H9N4O2-	217.204	6	0	83.73	2	4	0	-0.858	0.167580000000001	1.9	1.806	17.1009	58.045	1.5375	179.433900236456
Cond-009238	NPE635	3-(6-methyl-3-oxo-2H-benzo[e]1,4-oxazin-4-yl)propanenitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.9656350864	Cc1ccc2OCC(=O)N(CCC#N)c2c1	InChI=1S/C12H12N2O2/c1-9-3-4-11-10(7-9)14(6-2-5-13)12(15)8-16-11/h3-4,7H,2,6,8H2,1H3	C12H12N2O2	216.236	4	0	53.33	2	2	0	-0.2676	2.44779	2.34	1.176	34.5847	62.163	1.6412	204.250578422256
Cond-009239	NPE636	3-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	86.6135394027	OC(=O)CCN1CCn2c3c(cc(cc3)C3CCCCC3)c3c2C1CCC3	InChI=1S/C23H30N2O2/c26-22(27)11-12-24-13-14-25-20-10-9-17(16-5-2-1-3-6-16)15-19(20)18-7-4-8-21(24)23(18)25/h9-10,15-16,21H,1-8,11-14H2,(H,26,27)	C23H30N2O2	366.496	4	1	45.47	5	4	1	-1.3667	5.15468000000001	3.55	5.303	66.2288	110.7748	2.9083	349.173491905191
Cond-009240	NPE637	3-acetyl-9-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)-9-hydroimidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2585953277	CC[NH+](CC)CC[N+]1=C2N=C(C(=[N+]2c2ccccc12)C(=O)C)c1cc(C)ccc1C	InChI=1S/C25H30N4O/c1-6-27(7-2)14-15-28-21-10-8-9-11-22(21)29-24(19(5)30)23(26-25(28)29)20-16-17(3)12-13-18(20)4/h8-13,16H,6-7,14-15H2,1-5H3/q+2/p+1	C25H31N4O+++	403.54	5	1	33.87	4	6	1	-2.8491	1.45521	3.66	6.262	71.3776	128.4887	3.2676	NA
Cond-009241	NPE638	3-acetyl-9-[2-(diethylamino)ethyl]-2-(4-bromophenyl)-9-hydroimidazo[1,2-a]benzimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.2540078287	CCN(CC)CCn1c2nc(c(n2c2c1cccc2)C(=O)C)c1ccc(Br)cc1	InChI=1S/C23H25BrN4O/c1-4-26(5-2)14-15-27-19-8-6-7-9-20(19)28-22(16(3)29)21(25-23(27)28)17-10-12-18(24)13-11-17/h6-13H,4-5,14-15H2,1-3H3	C23H25BrN4O	453.375	5	0	42.54	4	7	1	1.4031	6.49526000000001	3.33	5.464	57.4689	128.645	3.1608	361.67102849613
Cond-009242	NPE639	3-(acridin-9-ylamino)propanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.2635541456	[O-]C(=O)CC[NH+]c1c2ccccc2nc2ccccc12	InChI=1S/C16H14N2O2/c19-15(20)9-10-17-16-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)16/h1-8H,9-10H2,(H,17,18)(H,19,20)	C16H13N2O2	265.287	4	2	69.63	3	4	0	-2.3151	3.39327	2.78	3.187	14.2029	82.8524	2.0102	234.005140823323
Cond-009243	NPE64	1-(3,6-Dibromo-carbazol-9-yl)-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.1180985898	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCN(C/C=C/c2ccccc2)CC1	InChI=1S/C28H29Br2N3O/c29-22-8-10-27-25(17-22)26-18-23(30)9-11-28(26)33(27)20-24(34)19-32-15-13-31(14-16-32)12-4-7-21-5-2-1-3-6-21/h1-11,17-18,24,34H,12-16,19-20H2/b7-4+	C28H29Br2N3O	583.357	4	1	31.64	5	7	1	1.8555	6.23388000000001	3.88	7.894	75.1587	149.1858	3.7889	441.444892993264
Cond-009244	NPE640	3-allyl-2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-carboxymethyl}sulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.0704447531	COCCn1c(C)cc(C(=O)CSc2nc3c(c4c(CCC4)s3)c(=O)n2CC=C)c1C	InChI=1S/C23H27N3O3S2/c1-5-9-26-22(28)20-16-7-6-8-19(16)31-21(20)24-23(26)30-13-18(27)17-12-14(2)25(15(17)3)10-11-29-4/h5,12H,1,6-11,13H2,2-4H3	C23H27N3O3S2	457.609	6	0	117.44	4	9	0	2.2466	3.64119	3.11	3.008	97.3276	126.2085	3.3734	410.425609527519
Cond-009245	NPE641	3-Allyl-2-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-oxo-ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.2567915089	C=CCn1c(=O)c2c(scc2c2ccccc2)nc1SCC(=O)c1ccc2OCCOc2c1	InChI=1S/C25H20N2O4S2/c1-2-10-27-24(29)22-18(16-6-4-3-5-7-16)14-32-23(22)26-25(27)33-15-19(28)17-8-9-20-21(13-17)31-12-11-30-20/h2-9,13-14H,1,10-12,15H2	C25H20N2O4S2	476.567	6	0	121.74	5	7	1	1.068	5.77316	3.33	5.618	66.6582	138.8155	3.3335	409.008751767647
Cond-009246	NPE642	3-Allyl-2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethylsulfanyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2378967469	C=CCn1c(=O)c2c(sc3c2CCCC3)nc1SCC(=O)c1ccc2OCOc2c1	InChI=1S/C22H20N2O4S2/c1-2-9-24-21(26)19-14-5-3-4-6-18(14)30-20(19)23-22(24)29-11-15(25)13-7-8-16-17(10-13)28-12-27-16/h2,7-8,10H,1,3-6,9,11-12H2	C22H20N2O4S2	440.535	6	0	121.74	5	6	0	0.792300000000002	4.35165	3	3.547	76.6081	120.8225	3.0398	375.930173992446
Cond-009247	NPE643	(3aR,6aR,10bR,10cS)-3a,6a-Dimethyl-4,5,6,6a,10b,10c-hexahydro-3aH-2-oxa-fluoranthene-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.650103311	[C@@H]12c3c(cccc3)[C@]3(C)CCC[C@@](C)(C(=O)OC1=O)[C@@H]23	InChI=1S/C17H18O3/c1-16-8-5-9-17(2)13(16)12(14(18)20-15(17)19)10-6-3-4-7-11(10)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3/t12-,13-,16-,17+/m0/s1	C17H18O3	270.323	3	0	43.37	4	0	0	0.0204	3.16519	3	4.878	47.4667	76.325	2.0306	255.450749135017
Cond-009248	NPE644	(3aR,6aS)-3a,6a-Dimethyl-4,5,6,6a-tetrahydro-3aH-2-oxa-fluoranthene-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2880108855	C[C@@]12CCC[C@]3(C)C1=C(c1c2cccc1)C(=O)OC3=O	InChI=1S/C17H16O3/c1-16-8-5-9-17(2)13(16)12(14(18)20-15(17)19)10-6-3-4-7-11(10)16/h3-4,6-7H,5,8-9H2,1-2H3/t16-,17+/m0/s1	C17H16O3	268.307	3	0	43.37	4	0	0	0.2432	3.03628	3	4.786	47.9992	75.952	1.9876	252.814290434217
Cond-009249	NPE645	3-Benzenesulfonyl-1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.006645149	CN(C)CCCn1c(N)c(c2nc3c(cccc3)nc12)S(=O)(=O)c1ccccc1	InChI=1S/C21H23N5O2S/c1-25(2)13-8-14-26-20(22)19(29(27,28)15-9-4-3-5-10-15)18-21(26)24-17-12-7-6-11-16(17)23-18/h3-7,9-12H,8,13-14,22H2,1-2H3	C21H23N5O2S	409.505	7	2	102.49	4	6	0	-1.2089	4.16746	2.89	4.121	42.3891	112.8594	3.026	346.091451233158
Cond-009250	NPE646	3-benzimidazol-2-yl-7-hydroxy-8-[(3-methylpiperidyl)methyl]chromen-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.720393958	CC1CCC[NH+](Cc2c(O)ccc3c2oc(=O)c(c3)c2nc3ccccc3[nH]2)C1	InChI=1S/C23H23N3O3/c1-14-5-4-10-26(12-14)13-17-20(27)9-8-15-11-16(23(28)29-21(15)17)22-24-18-6-2-3-7-19(18)25-22/h2-3,6-9,11,14,27H,4-5,10,12-13H2,1H3,(H,24,25)/p+1	C23H24N3O3+	390.455	6	3	79.65	5	3	0	-2.0077	2.99506	3.33	3.367	51.2901	117.3577	2.9163	348.832873361119
Cond-009251	NPE647	3-Benzothiazol-2-yl-7-hydroxy-2-methyl-8-(4-methyl-piperazin-1-ylmethyl)-chromen-4-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0378126818	CN1CCN(Cc2c(O)ccc3c2oc(C)c(c2nc4c(s2)cccc4)c3=O)CC1	InChI=1S/C23H23N3O3S/c1-14-20(23-24-17-5-3-4-6-19(17)30-23)21(28)15-7-8-18(27)16(22(15)29-14)13-26-11-9-25(2)10-12-26/h3-8,27H,9-13H2,1-2H3	C23H23N3O3S	421.512	6	1	94.14	5	3	0	0.163999999999999	4.03227000000001	3.22	2.591	66.5356	122.983	3.0583	366.023668068319
Cond-009252	NPE648	3-benzothiazol-2-ylthio-1-carbazol-9-ylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.6584335777	OC(CSc1nc2ccccc2s1)Cn1c2ccccc2c2ccccc12	InChI=1S/C22H18N2OS2/c25-15(14-26-22-23-18-9-3-6-12-21(18)27-22)13-24-19-10-4-1-7-16(19)17-8-2-5-11-20(17)24/h1-12,15,25H,13-14H2	C22H18N2OS2	390.521	3	1	91.59	5	5	1	0.7069	5.80087000000001	3.33	6.262	33.8719	113.5288	2.8207	314.223035189963
Cond-009253	NPE649	(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-(2-morpholin-4-yl-ethyl)-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4182646668	C(CN1CCOCC1)Nc1ncnc2c1nnn2Cc1ccccc1	InChI=1S/C17H21N7O/c1-2-4-14(5-3-1)12-24-17-15(21-22-24)16(19-13-20-17)18-6-7-23-8-10-25-11-9-23/h1-5,13H,6-12H2,(H,18,19,20)	C17H21N7O	339.395	8	1	80.99	4	6	0	-0.466899999999999	2.09638	2.45	1.927	43.7005	96.7787	2.5258	287.774699789463
Cond-009254	NPE65	1-(3,6-dibromocarbazol-9-yl)-3-(4-methylpiperidyl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	10.2182868507	CC1CCN(CC(O)Cn2c3c(cc(Br)cc3)c3c2ccc(Br)c3)CC1	InChI=1S/C21H24Br2N2O/c1-14-6-8-24(9-7-14)12-17(26)13-25-20-4-2-15(22)10-18(20)19-11-16(23)3-5-21(19)25/h2-5,10-11,14,17,26H,6-9,12-13H2,1H3	C21H24Br2N2O	480.236	3	1	28.4	4	4	1	0.897099999999999	5.81749000000001	3.22	5.316	62.164	116.7298	2.9834	343.17853390803
Cond-009255	NPE650	3-benzylindolin-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.7091323334	O=C1Nc2ccccc2C1Cc1ccccc1	InChI=1S/C15H13NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-9,13H,10H2,(H,16,17)	C15H13NO	223.27	2	1	29.1	3	2	1	-0.4583	3.79898	2.89	5.331	15.8177	71.4447	1.7538	210.458627989528
Cond-009256	NPE651	3-Benzyloxycarbonylamino-propionic acid 2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.7721956532	Clc1c(OC(=O)CCNC(=O)OCc2ccccc2)cc2oc(=O)c3c(CCCC3)c2c1	InChI=1S/C24H22ClNO6/c25-19-12-18-16-8-4-5-9-17(16)23(28)32-20(18)13-21(19)31-22(27)10-11-26-24(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,26,29)	C24H22ClNO6	455.888	7	1	90.93	4	9	1	0.1615	5.06857000000001	3.22	5.608	64.3978	123.5767	3.2002	405.018856092369
Cond-009257	NPE652	3-[(butylamino)carbonyl]bicyclo[2.2.1]hepta-5-ene-2-carboylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9170287606	CCCCNC(=O)C1C2CC(C=C2)C1C(=O)O	InChI=1S/C13H19NO3/c1-2-3-6-14-12(15)10-8-4-5-9(7-8)11(10)13(16)17/h4-5,8-11H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)	C13H19NO3	237.295	4	2	66.4	2	6	0	-1.7591	1.58568	2.45	1.397	59.1277	66.2435	1.87	238.149405642917
Cond-009258	NPE653	3-(butylsulfanyl)-6-(2-{5-nitro-2-furyl}vinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	36.1788808242	CCCCSc1nc2c(nn1)c1ccccc1NC(O2)/C=C/c1ccc(o1)N(=O)=O	InChI=1S/C20H19N5O4S/c1-2-3-12-30-20-22-19-18(23-24-20)14-6-4-5-7-15(14)21-16(29-19)10-8-13-9-11-17(28-13)25(26)27/h4-11,16,21H,2-3,12H2,1H3/b10-8+	C20H19N5O4S	425.461	9	1	141.51	4	7	1	0.609000000000001	5.89445	2.56	5.796	48.1519	121.3997	2.9595	354.639461307613
Cond-009259	NPE654	(3-carbazol-9-yl-2-hydroxypropyl)(2-hydroxyethyl)[(4-methylphenyl)sulfonyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.6129973664	Cc1ccc(cc1)S(=O)(=O)N(CCO)CC(O)Cn1c2ccccc2c2ccccc12	InChI=1S/C24H26N2O4S/c1-18-10-12-20(13-11-18)31(29,30)25(14-15-27)16-19(28)17-26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26/h2-13,19,27-28H,14-17H2,1H3	C24H26N2O4S	438.539	6	2	91.15	4	8	0	-1.2059	3.78570000000001	3.33	4.769	46.9176	118.1146	3.2667	382.56957788738
Cond-009260	NPE655	3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8346991337	Cn1nc(C)c(CNC(=O)c2nn3c(nc(cc3C(F)(F)F)c3ccc(C)cc3)c2Cl)c1C	InChI=1S/C22H20ClF3N6O/c1-11-5-7-14(8-6-11)16-9-17(22(24,25)26)32-20(28-16)18(23)19(30-32)21(33)27-10-15-12(2)29-31(4)13(15)3/h5-9H,10H2,1-4H3,(H,27,33)	C22H20ClF3N6O	476.882	7	1	77.11	4	6	1	2.8689	4.82772	2.67	5.686	52.6637	120.5347	3.177	377.862230929582
Cond-009261	NPE656	(3-chloro-5H-dibenzo[a,d]cycloheptene-5-yl)methylamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4671270787	[NH3+]CC1c2ccccc2C=Cc2ccc(Cl)cc12	InChI=1S/C16H14ClN/c17-13-8-7-12-6-5-11-3-1-2-4-14(11)16(10-18)15(12)9-13/h1-9,16H,10,18H2/p+1	C16H15ClN+	256.75	1	3	27.64	3	1	1	-0.2545	2.88929	3	6.634	24.2193	73.6391	1.9799	235.493683035667
Cond-009262	NPE657	(3-Chloro-phenyl)-dimethyl-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.2656856322	CN(C)c1cc(Cl)ccc1	InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3	C8H10ClN	155.625	1	0	3.24	1	1	0	0.9621	2.406	2.12	2.491	19.907	45.779	1.2204	141.966328883134
Cond-009263	NPE658	3-cyclohexyl-N-(4-(2-naphthyl)(1,3-thiazol-2-yl))propanamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0848566705	O=C(CCC1CCCCC1)Nc1nc(cs1)c1cc2ccccc2cc1	InChI=1S/C22H24N2OS/c25-21(13-10-16-6-2-1-3-7-16)24-22-23-20(15-26-22)19-12-11-17-8-4-5-9-18(17)14-19/h4-5,8-9,11-12,14-16H,1-3,6-7,10,13H2,(H,23,24,25)	C22H24N2OS	364.504	3	1	70.23	4	6	1	-0.412699999999999	7.54987000000001	3.44	8.593	44.6772	114.9057	2.8518	335.143387234763
Cond-009264	NPE659	3-cyclopentyl-N-[4-(2-naphtyl)-1,3-thiazole-2-yl]propaneamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7596590775	O=C(CCC1CCCC1)Nc1nc(cs1)c1cc2ccccc2cc1	InChI=1S/C21H22N2OS/c24-20(12-9-15-5-1-2-6-15)23-21-22-19(14-25-21)18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13-15H,1-2,5-6,9,12H2,(H,22,23,24)	C21H22N2OS	350.477	3	1	70.23	4	6	1	-0.124699999999999	7.15977	3.33	8.024	41.7656	110.2887	2.7109	317.847402608896
Cond-009265	NPE66	1-(3,6-Dibromo-carbazol-9-yl)-3-(4-phenethyl-piperazin-1-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.5471909826	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCN(CCc2ccccc2)CC1	InChI=1S/C27H29Br2N3O/c28-21-6-8-26-24(16-21)25-17-22(29)7-9-27(25)32(26)19-23(33)18-31-14-12-30(13-15-31)11-10-20-4-2-1-3-5-20/h1-9,16-17,23,33H,10-15,18-19H2	C27H29Br2N3O	571.347	4	1	31.64	5	7	1	1.6433	5.94589000000001	3.77	7.275	69.2919	144.9178	3.691	426.785367068197
Cond-009266	NPE660	3-dibenzo[b,e]thiepin-11(6H)-ylidene-1-propaneamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6375626418	[NH3+]CC/C=C\1/c2ccccc2CSc2ccccc12	InChI=1S/C17H17NS/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/p+1/b15-9-	C17H18NS+	268.397	1	3	52.94	3	2	1	-0.8459	2.83379	3.11	5.756	29.228	80.0781	2.1619	256.087623948701
Cond-009267	NPE661	3-(dibutylamino)-1-(3,6-dichlorocarbazol-9-yl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.0988947062	CCCCN(CCCC)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C23H30Cl2N2O/c1-3-5-11-26(12-6-4-2)15-19(28)16-27-22-9-7-17(24)13-20(22)21-14-18(25)8-10-23(21)27/h7-10,13-14,19,28H,3-6,11-12,15-16H2,1-2H3	C23H30Cl2N2O	421.403	3	1	28.4	3	10	1	0.00129999999999897	6.76959000000001	3.44	5.968	65.2823	122.7678	3.2686	381.981859446297
Cond-009268	NPE662	3-(diethylamino)-1-(1,3,6-tribromocarbazol-9-yl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.8266433973	CCN(CC)CC(O)Cn1c2c(cc(Br)cc2)c2c1c(Br)cc(Br)c2	InChI=1S/C19H21Br3N2O/c1-3-23(4-2)10-14(25)11-24-18-6-5-12(20)7-15(18)16-8-13(21)9-17(22)19(16)24/h5-9,14,25H,3-4,10-11H2,1-2H3	C19H21Br3N2O	533.095	3	1	28.4	3	6	1	2.9107	6.18989000000001	2.89	5.224	66.9612	117.3798	2.9852	340.226642334663
Cond-009269	NPE663	3-(diethylamino)-1-carbazol-9-ylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0698080279	CC[NH+](CC)CC(O)Cn1c2ccccc2c2ccccc12	InChI=1S/C19H24N2O/c1-3-20(4-2)13-15(22)14-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15,22H,3-4,13-14H2,1-2H3/p+1	C19H25N2O+	297.415	3	2	29.6	3	6	0	-1.2128	2.48529000000001	3.22	4.185	38.2659	93.4035000000001	2.4817	283.694014752363
Cond-009270	NPE664	3-Dimethylamino-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-propan-1-ol; compound with GENERIC INORGANIC NEUTRAL COMPONENT	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0029086678	C[NH+](C)CCC(O)c1cc2c(OCCCCO2)cc1	InChI=1S/C15H23NO3/c1-16(2)8-7-13(17)12-5-6-14-15(11-12)19-10-4-3-9-18-14/h5-6,11,13,17H,3-4,7-10H2,1-2H3/p+1	C15H24NO3+	266.356	4	2	43.13	2	4	0	-2.8874	0.965690000000003	2.67	1.483	43.4655	75.2035000000001	2.1733	263.159604245051
Cond-009271	NPE665	3-(heptylsulfanyl)-6-methyl-1,2,4-triazine-5(2H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	69.5029783627	CCCCCCCSc1nc(=O)c(C)n[nH]1	InChI=1S/C11H19N3OS/c1-3-4-5-6-7-8-16-11-12-10(15)9(2)13-14-11/h3-8H2,1-2H3,(H,12,14,15)	C11H19N3OS	241.353	4	1	79.12	1	7	0	-1.6101	2.58097	2.12	4.233	58.4311	74.7767	1.9425	238.835986164795
Cond-009272	NPE666	3-Hydroxy-4-(3-methoxy-benzoyl)-5-(5-methyl-furan-2-yl)-1-(3-morpholin-4-yl-propyl)-1,5-dihydro-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.6016707803	COc1cccc(c1)C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccc(C)o1	InChI=1S/C24H28N2O6/c1-16-7-8-19(32-16)21-20(22(27)17-5-3-6-18(15-17)30-2)23(28)24(29)26(21)10-4-9-25-11-13-31-14-12-25/h3,5-8,15,21,28H,4,9-14H2,1-2H3	C24H28N2O6	440.489	8	1	92.45	4	8	0	-1.3656	2.1511	3.22	3.16	77.2587	120.0598	3.2636	406.077465931702
Cond-009273	NPE667	(3-Hydroxymethyl-2H-chromen-2-yl)-methanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	124.046197768	OCC1Oc2ccccc2C=C1CO	InChI=1S/C11H12O3/c12-6-9-5-8-3-1-2-4-10(8)14-11(9)7-13/h1-5,11-13H,6-7H2	C11H12O3	192.211	3	2	49.69	2	2	0	-0.8297	0.63289	2.34	1.016	28.6691	51.9446	1.4454	179.024217482217
Cond-009274	NPE668	(3-Hydroxymethyl-chroman-2-yl)-methanol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	119.53023618	OCC1Cc2ccccc2OC1CO	InChI=1S/C11H14O3/c12-6-9-5-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,9,11-13H,5-7H2	C11H14O3	194.227	3	2	49.69	2	2	0	-1.0868	1.09169	2.34	1.251	27.128	54.2846	1.4884	181.660676183017
Cond-009275	NPE669	3-Methoxy-benzoic acid N'-(5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.6772894207	COc1cc(ccc1)C(=O)NNC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccccc1	InChI=1S/C22H16F3N5O3/c1-33-15-9-5-8-14(10-15)20(31)27-28-21(32)17-12-19-26-16(13-6-3-2-4-7-13)11-18(22(23,24)25)30(19)29-17/h2-12H,1H3,(H,27,31)(H,28,32)	C22H16F3N5O3	455.389	8	2	97.62	4	8	1	-0.2101	3.98457	2.67	6.144	31.5314	116.5609	2.9862	363.961938950504
Cond-009276	NPE67	1-(3,6-dibromocarbazol-9-yl)-3-(4-phenylpiperazinyl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	72.0015152233	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCN(CC1)c1ccccc1	InChI=1S/C25H25Br2N3O/c26-18-6-8-24-22(14-18)23-15-19(27)7-9-25(23)30(24)17-21(31)16-28-10-12-29(13-11-28)20-4-2-1-3-5-20/h1-9,14-15,21,31H,10-13,16-17H2	C25H25Br2N3O	543.293	4	1	31.64	5	5	1	1.3761	6.43488000000001	3.55	6.13	60.1279	137.4108	3.4092	392.193397816464
Cond-009277	NPE670	3-Methyl-1-(2-perhydro-azepin-1-yl-ethylamino)-pyrido[1,2-a]benzimidazole-4-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2879990522	Cc1c(C#N)c2nc3c(cccc3)n2c(NCCN2CCCCCC2)c1	InChI=1S/C21H25N5/c1-16-14-20(23-10-13-25-11-6-2-3-7-12-25)26-19-9-5-4-8-18(19)24-21(26)17(16)15-22/h4-5,8-9,14,23H,2-3,6-7,10-13H2,1H3	C21H25N5	347.457	5	1	56.36	4	4	0	-0.822899999999999	4.55169000000001	3.22	3.973	51.2919	108.0507	2.7881	323.538432475236
Cond-009278	NPE671	3-Methyl-benzoic acid N'-[3-[3-(4-chloro-phenyl)-1,2,4-oxadiazol-5-yl]-propionyl]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.3310034356	Cc1cc(ccc1)C(=O)NNC(=O)CCc1nc(no1)c1ccc(Cl)cc1	InChI=1S/C19H17ClN4O3/c1-12-3-2-4-14(11-12)19(26)23-22-16(25)9-10-17-21-18(24-27-17)13-5-7-15(20)8-6-13/h2-8,11H,9-10H2,1H3,(H,22,25)(H,23,26)	C19H17ClN4O3	384.816	7	2	97.12	3	8	1	-0.2906	3.2338	2.67	5.331	35.0806	103.7024	2.7276	326.614992186652
Cond-009279	NPE672	3-Methylsulfanyl-6-(5-nitro-furan-2-yl)-6,7-dihydro-5-oxa-1,2,4,7-tetraaza-dibenzo[a,c]cycloheptene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	54.2482264455	CSc1nc2c(nn1)c1c(NC(O2)c2ccc(o2)N(=O)=O)cccc1	InChI=1S/C15H11N5O4S/c1-25-15-17-14-12(18-19-15)8-4-2-3-5-9(8)16-13(24-14)10-6-7-11(23-10)20(21)22/h2-7,13,16H,1H3	C15H11N5O4S	357.344	9	1	141.51	4	3	0	0.7566	4.27977	2.01	3.676	27.0959	98.0177	2.298	270.795996879079
Cond-009280	NPE673	3-Methyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	133.155982351	CC1CCCOC1=O	InChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3	C6H10O2	114.142	2	0	26.3	1	0	0	0.182900000000001	1.19339	1.9	0.87	27.7214	32.6	0.9198	114.919902455522
Cond-009281	NPE674	(3-morpholin-4-ylpropyl)[(2,3,4,5,6-pentamethylphenyl)sulfonyl]amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1796094621	Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCCN1CCOCC1	InChI=1S/C18H30N2O3S/c1-13-14(2)16(4)18(17(5)15(13)3)24(21,22)19-7-6-8-20-9-11-23-12-10-20/h19H,6-12H2,1-5H3	C18H30N2O3S	354.507	5	1	67.02	2	6	0	1.9142	1.3959	2.78	2.485	74.354	87.6687	2.8378	343.235113038019
Cond-009282	NPE675	(3-Morpholin-4-yl-propyl)-(5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidin-4-yl)-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8619726313	C(CNc1c2c(sc3c2CCCC3)ncn1)CN1CCOCC1	InChI=1S/C17H24N4OS/c1-2-5-14-13(4-1)15-16(19-12-20-17(15)23-14)18-6-3-7-21-8-10-22-11-9-21/h12H,1-11H2,(H,18,19,20)	C17H24N4OS	332.464	5	1	78.52	4	5	0	-0.447100000000002	3.51468	2.67	1.691	61.9358	96.5047	2.5189	292.102819324963
Cond-009283	NPE676	{3-nitrophenyl}(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone hydrazone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7794518315	N/N=C(\c1cccc(c1)N(=O)=O)/C12C[NH+]3C[NH+](C[NH+](C3)C1)C2	InChI=1S/C14H18N6O2/c15-16-13(11-2-1-3-12(4-11)20(21)22)14-5-17-8-18(6-14)10-19(7-14)9-17/h1-4H,5-10,15H2/p+3/b16-13+	C14H21N6O2+++	305.356	8	5	94.84	1	3	0	-4.6912	-3.76711	2.12	0.209	45.236	81.3265	2.2125	264.707817857057
Cond-009284	NPE677	3-(N-PROPYLCARBAMOYL)-5-NORBORNENE-2-CARBOXYLIC ACID	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.036847225	CCCNC(=O)C1C2CC(C=C2)C1C(=O)[O-]	InChI=1S/C12H17NO3/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12(15)16/h3-4,7-10H,2,5-6H2,1H3,(H,13,14)(H,15,16)/p-1	C12H16NO3-	222.26	4	1	69.23	2	5	0	-2.1489	-0.13912	2.34	0.347	53.9383	58.9977	1.7076	219.53519166665
Cond-009285	NPE678	3-Octacosyl-2-oxa-bicyclo[3.3.1]nonan-7-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6458700801	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC2CC(CC(=O)C2)O1	InChI=1S/C36H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-30-33-29-34(37)32-36(31-33)38-35/h33,35-36H,2-32H2,1H3	C36H68O2	532.924	2	0	26.3	2	27	2	-7.9687	12.29959	5.2	15.832	119.0776	169.202	5.0382	621.442982530723
Cond-009286	NPE679	3-O-Methylfluorescein phosphate cyclohexylammonium salt	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.9941142966	COc1ccc2c(Oc3cc(OP(=O)([O-])[O-])ccc3C32OC(=O)c2ccccc32)c1	InChI=1S/C21H15O8P/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21/h2-11H,1H3,(H2,23,24,25)/p-2	C21H13O8P--	424.297	8	0	130.9	5	3	0	-2.3336	-0.272229999999997	2.78	3.292	25.8379	92.408	2.7257	327.53786364369
Cond-009287	NPE68	1-(3,6-dibromocarbazol-9-yl)-3-[bis(3-methylbutyl)amino]propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.2664339732	CC(C)CCN(CCC(C)C)CC(O)Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2	InChI=1S/C25H34Br2N2O/c1-17(2)9-11-28(12-10-18(3)4)15-21(30)16-29-24-7-5-19(26)13-22(24)23-14-20(27)6-8-25(23)29/h5-8,13-14,17-18,21,30H,9-12,15-16H2,1-4H3	C25H34Br2N2O	538.358	3	1	28.4	3	10	1	1.9095	7.47979000000001	3.66	7.66	82.1643	137.2418	3.6556	424.718931112297
Cond-009288	NPE680	3-piperazinyl-1-(1,3,6-tribromocarbazol-9-yl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	10.2757417103	OC(Cn1c2c(cc(Br)cc2)c2c1c(Br)cc(Br)c2)CN1CCNCC1	InChI=1S/C19H20Br3N3O/c20-12-1-2-18-15(7-12)16-8-13(21)9-17(22)19(16)25(18)11-14(26)10-24-5-3-23-4-6-24/h1-2,7-9,14,23,26H,3-6,10-11H2	C19H20Br3N3O	546.094	4	2	40.43	4	4	0	1.8313	4.75329	2.78	3.782	69.129	118.9015	2.9764	338.86694384203
Cond-009289	NPE681	3-quinoxalin-2-ylthiopropanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	59.4361116385	OC(=O)CCSc1nc2ccccc2nc1	InChI=1S/C11H10N2O2S/c14-11(15)5-6-16-10-7-12-8-3-1-2-4-9(8)13-10/h1-4,7H,5-6H2,(H,14,15)	C11H10N2O2S	234.274	4	1	88.38	2	4	0	0.3972	2.26877	2.12	2.033	24.2742	62.4508	1.6638	194.563617853989
Cond-009290	NPE682	(3R,4aR,7R,8aR)-2,2,4a-Trimethyl-7-phenethyl-4-styryl-tetrahydro-pyrano[4,3-d][1,3]dioxin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.650661822	[C@@H]1(CCc2ccccc2)C[C@H]2OC(C)(C)O[C@H](/C=C/c3ccccc3)[C@]2(C)C(=O)O1	InChI=1S/C26H30O4/c1-25(2)29-22(17-15-20-12-8-5-9-13-20)26(3)23(30-25)18-21(28-24(26)27)16-14-19-10-6-4-7-11-19/h4-13,15,17,21-23H,14,16,18H2,1-3H3/b17-15+/t21-,22-,23-,26+/m1/s1	C26H30O4	406.514	4	0	44.76	4	5	1	-0.201500000000001	5.22568000000001	3.88	9.455	62.9514	118.849	3.22840000000001	401.09546136598
Cond-009291	NPE683	(3R,4R,5R)-4-Hydroxy-5-hydroxymethyl-3,5-dimethyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	125.279003374	C[C@@H]1[C@@H](O)[C@@](C)(CO)OC1=O	InChI=1S/C7H12O4/c1-4-5(9)7(2,3-8)11-6(4)10/h4-5,8-9H,3H2,1-2H3/t4-,5-,7-/m1/s1	C7H12O4	160.168	4	2	66.76	1	1	0	-0.601100000000001	-0.47491	1.79	-0.344	36.9206	39.9966	1.1781	149.796340482511
Cond-009292	NPE684	(3R,4R,5R)-5-((R)-1-Hydroxy-propyl)-4-methoxymethoxy-3,5-dimethyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.3211711939	CC[C@@H](O)[C@@]1(C)OC(=O)[C@H](C)[C@H]1OCOC	InChI=1S/C11H20O5/c1-5-8(12)11(3)9(15-6-14-4)7(2)10(13)16-11/h7-9,12H,5-6H2,1-4H3/t7-,8-,9-,11-/m1/s1	C11H20O5	232.274	5	1	64.99	1	5	0	-0.639899999999999	0.93189	2.12	0.511	55.0208	59.9508000000001	1.8004	227.770505686539
Cond-009293	NPE685	(3R,4R,5S)-3-Butyl-4-hydroxy-5-methyldihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	133.830781209	CCCC[C@@H]1[C@@H](O)[C@H](C)OC1=O	InChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1	C9H16O3	172.222	3	1	46.53	1	3	0	-1.0147	1.33289	2.12	1.649	41.3461	47.8188	1.4012	175.598083033683
Cond-009294	NPE686	(3R,4R,5S)-4-Hydroxy-5-((S)-1-hydroxy-propyl)-3,5-dimethyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	123.124837789	CC[C@H](O)[C@]1(C)OC(=O)[C@H](C)[C@H]1O	InChI=1S/C9H16O4/c1-4-6(10)9(3)7(11)5(2)8(12)13-9/h5-7,10-11H,4H2,1-3H3/t5-,6+,7-,9+/m1/s1	C9H16O4	188.221	4	2	66.76	1	2	0	-0.899799999999999	0.30369	2.01	0.474	44.4166	49.2086	1.4599	184.388309734245
Cond-009295	NPE687	(3R,4R,6R)-4-Hydroxy-3-methyl-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5939626065	[C@@H]1(CCc2ccccc2)C[C@@H](O)[C@@H](C)C(=O)O1	InChI=1S/C14H18O3/c1-10-13(15)9-12(17-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13-/m1/s1	C14H18O3	234.291	3	1	46.53	2	3	0	-0.871	2.16559	2.67	4.134	35.6948	67.6738	1.8681	230.912171359817
Cond-009296	NPE688	(3R,4R,6R)-6-Butyl-4-hydroxy-3-methyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.7998790505	CCCC[C@@H]1C[C@@H](O)[C@@H](C)C(=O)O1	InChI=1S/C10H18O3/c1-3-4-5-8-6-9(11)7(2)10(12)13-8/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-/m1/s1	C10H18O3	186.248	3	1	46.53	1	3	0	-1.4581	1.72299	2.23	1.796	42.5513	52.4358	1.5421	192.89406765955
Cond-009297	NPE689	(3R,4R,6S)-6-tert-Butyl-4-hydroxy-3-methyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	125.616402803	[C@H]1(C[C@@H](O)[C@@H](C)C(=O)O1)C(C)(C)C	InChI=1S/C10H18O3/c1-6-7(11)5-8(10(2,3)4)13-9(6)12/h6-8,11H,5H2,1-4H3/t6-,7-,8+/m1/s1	C10H18O3	186.248	3	1	46.53	1	1	0	0.9108	1.57889	2.23	1.35	47.0446	52.3658	1.5421	192.89406765955
Cond-009298	NPE69	1-(3,6-dibromocarbazol-9-yl)-3-(butylmethylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.5212332752	CCCCN(C)CC(O)Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2	InChI=1S/C20H24Br2N2O/c1-3-4-9-23(2)12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,25H,3-4,9,12-13H2,1-2H3	C20H24Br2N2O	468.225	3	1	28.4	3	7	1	0.9057	5.81749000000001	3.11	5.294	60.5119	114.2968	2.9511	338.239007982963
Cond-009299	NPE690	(3R,4S)-3-((1R,3R)-1,3-Dihydroxy-5-phenyl-pentyl)-4-hydroxy-3-methyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1771405533	C[C@@]1([C@H](O)C[C@H](O)CCc2ccccc2)[C@H](O)COC1=O	InChI=1S/C16H22O5/c1-16(14(19)10-21-15(16)20)13(18)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,12-14,17-19H,7-10H2,1H3/t12-,13-,14-,16-/m1/s1	C16H22O5	294.343	5	3	86.99	2	6	0	-1.853	0.888990000000001	2.67	3.389	47.7026	79.7094	2.2673	283.084594012673
Cond-009300	NPE691	(3R,4S)-3-Hydroxy-4-methyl-5-trityloxy-pentan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8769339314	C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](O)C(=O)C	InChI=1S/C25H26O3/c1-19(24(27)20(2)26)18-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,24,27H,18H2,1-2H3/t19-,24+/m0/s1	C25H26O3	374.472	3	1	46.53	3	8	1	-1.1653	4.00849000000001	3.88	8.471	33.8274	111.6108	3.05140000000001	371.192791338752
Cond-009301	NPE692	(3R,4S,5S)-5-Allyl-3-((4R,6R)-2,2-dimethyl-6-phenethyl-[1,3]dioxan-4-y)-4-hydroxy-3-methyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	72.1362697173	C[C@@]1([C@H](O)[C@H](CC=C)OC1=O)[C@H]1C[C@@H](CCc2ccccc2)OC(C)(C)O1	InChI=1S/C22H30O5/c1-5-9-17-19(23)22(4,20(24)25-17)18-14-16(26-21(2,3)27-18)13-12-15-10-7-6-8-11-15/h5-8,10-11,16-19,23H,1,9,12-14H2,2-4H3/t16-,17+,18-,19-,22+/m1/s1	C22H30O5	374.471	5	1	64.99	3	6	1	-0.216899999999999	3.55818	3.33	5.394	73.1943	104.9858	2.9611	371.867584366274
Cond-009302	NPE693	(3R,4S,6R)-4-Hydroxy-3-methyl-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	121.697378666	[C@@H]1(CCc2ccccc2)C[C@H](O)[C@@H](C)C(=O)O1	InChI=1S/C14H18O3/c1-10-13(15)9-12(17-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12-,13+/m1/s1	C14H18O3	234.291	3	1	46.53	2	3	0	-0.871	2.16559	2.67	4.134	35.6948	67.6738	1.8681	230.912171359817
Cond-009303	NPE694	(3S,4S,6R)-4-Hydroxy-3-methyl-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2635186212	[C@@H]1(CCc2ccccc2)C[C@H](O)[C@H](C)C(=O)O1	InChI=1S/C14H18O3/c1-10-13(15)9-12(17-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3/t10-,12+,13-/m0/s1	C14H18O3	234.291	3	1	46.53	2	3	0	-0.871	2.16559	2.67	4.134	35.6948	67.6738	1.8681	230.912171359817
Cond-009304	NPE695	(3S,4S,6R)-4-Hydroxy-3-((R)-1-hydroxy-3-phenyl-allyl)-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.6374036184	[C@@H]1(CCc2ccccc2)C[C@H](O)[C@@H]([C@H](O)/C=C/c2ccccc2)C(=O)O1	InChI=1S/C22H24O4/c23-19(14-12-17-9-5-2-6-10-17)21-20(24)15-18(26-22(21)25)13-11-16-7-3-1-4-8-16/h1-10,12,14,18-21,23-24H,11,13,15H2/b14-12+/t18-,19-,20+,21-/m1/s1	C22H24O4	352.424	4	2	66.76	3	6	1	-1.3534	3.03728	3.44	8.27	46.2434	102.4206	2.7734	344.267981563313
Cond-009305	NPE696	(3S,5S,7R)-3,5,7-Trihydroxy-hexatriacontanoic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.5236103412	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)CC(=O)OC	InChI=1S/C37H74O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)31-35(39)32-36(40)33-37(41)42-2/h34-36,38-40H,3-33H2,1-2H3/t34-,35+,36+/m1/s1	C37H74O5	598.98	5	3	86.99	0	35	2	-10.0748	10.58899	4.98	14.915	127.6718	182.0804	5.57240000000001	689.822564659872
Cond-009306	NPE697	3-(Toluene-4-sulfonylamino)-propionic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c][1]benzopyran-7-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.4276744462	Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Oc1ccc2c3c(CCC3)c(=O)oc2c1	InChI=1S/C22H21NO6S/c1-14-5-8-16(9-6-14)30(26,27)23-12-11-21(24)28-15-7-10-18-17-3-2-4-19(17)22(25)29-20(18)13-15/h5-10,13,23H,2-4,11-12H2,1H3	C22H21NO6S	427.47	7	1	107.15	4	7	0	-0.516899999999999	3.91098	3	3.958	59.0093	108.3087	3.0025	376.361301828602
Cond-009307	NPE698	(4-[[1-1,3-Benzodioxol-5-yl-meth-(E)-ylidene]-amino]-5-propyl-4H-1,2,4-triazol-3-ylsulfanyl)-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8651818505	CCCc1nnc(SCC(=O)[O-])n1/N=C/c1ccc2OCOc2c1	InChI=1S/C15H16N4O4S/c1-2-3-13-17-18-15(24-8-14(20)21)19(13)16-7-10-4-5-11-12(6-10)23-9-22-11/h4-7H,2-3,8-9H2,1H3,(H,20,21)/p-1/b16-7+	C15H15N4O4S-	347.369	8	0	126.96	3	7	0	-1.3772	1.66165	2.12	3.125	46.94	88.343	2.3713	287.010383422912
Cond-009308	NPE699	4-[11-(3-methoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.7173452342	COc1cc(ccc1)C1N(C(=O)CCC(=O)O)c2c(NC3=C1C(=O)CC(C3)c1ccccc1)cccc2	InChI=1S/C30H28N2O5/c1-37-22-11-7-10-20(16-22)30-29-24(17-21(18-26(29)33)19-8-3-2-4-9-19)31-23-12-5-6-13-25(23)32(30)27(34)14-15-28(35)36/h2-13,16,21,30-31H,14-15,17-18H2,1H3,(H,35,36)	C30H28N2O5	496.554	7	2	95.94	5	7	1	-1.9749	5.80667000000001	3.99	6.315	63.7625	143.2245	3.72670000000001	464.624394781541
Cond-009309	NPE7	10-Hydroxy-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5387987205	COc1cc(cc(OC)c1O)C1C2C(COC2=O)Cc2c1cc1OCOc1c2O	InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3	C21H20O8	400.379	8	2	103.68	5	3	0	-1.5375	3.03888	2.89	0.807	53.1401	103.3036	2.6931	340.056445038891
Cond-009310	NPE70	1-(3,6-dibromocarbazol-9-yl)-3-(dibutylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.1640488656	CCCCN(CCCC)CC(O)Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2	InChI=1S/C23H30Br2N2O/c1-3-5-11-26(12-6-4-2)15-19(28)16-27-22-9-7-17(24)13-20(22)21-14-18(25)8-10-23(21)27/h7-10,13-14,19,28H,3-6,11-12,15-16H2,1-2H3	C23H30Br2N2O	510.305	3	1	28.4	3	10	1	0.290299999999999	6.98779000000001	3.44	6.644	71.2493	128.1478	3.3738	390.126961860564
Cond-009311	NPE700	4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-yl-ethyl)-butyramide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.9688627302	O=C(CCCn1c(=O)c2cccc3cccc(c1=O)c23)NCCN1CCOCC1	InChI=1S/C22H25N3O4/c26-19(23-9-11-24-12-14-29-15-13-24)8-3-10-25-21(27)17-6-1-4-16-5-2-7-18(20(16)17)22(25)28/h1-2,4-7H,3,8-15H2,(H,23,26)	C22H25N3O4	395.452	7	1	78.95	4	8	0	-1.706	1.89829	3.11	2.38	64.7878	112.0607	2.9642	364.901803487013
Cond-009312	NPE701	[4-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl)phenyl]-N-(oxolan-2-ylmethyl)carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0917817841	O=C(NCC1CCCO1)c1ccc(cc1)N1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C30H26N2O4/c33-28(31-16-19-6-5-15-36-19)17-11-13-18(14-12-17)32-29(34)26-24-20-7-1-2-8-21(20)25(27(26)30(32)35)23-10-4-3-9-22(23)24/h1-4,7-14,19,24-27H,5-6,15-16H2,(H,31,33)	C30H26N2O4	478.538	6	1	75.71	5	5	1	-2.4428	3.92699000000001	4.1	7.128	54.7809	134.9597	3.49380000000001	433.75770938018
Cond-009313	NPE702	4-(1-acetyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.8829590276	CC(=O)C12C3C(C(c4c1cccc4)c1c2cccc1)C(=O)N(C3=O)c1ccc(cc1)C(=O)O	InChI=1S/C27H19NO5/c1-14(29)27-19-8-4-2-6-17(19)21(18-7-3-5-9-20(18)27)22-23(27)25(31)28(24(22)30)16-12-10-15(11-13-16)26(32)33/h2-13,21-23H,1H3,(H,32,33)	C27H19NO5	437.443	6	1	91.75	4	3	1	-1.9127	3.24359	3.77	5.784	43.9607	120.2238	3.09560000000001	389.383221994974
Cond-009314	NPE703	4-[(1E)-2-(2-phenylphenyl)-2-azavinyl]-1-benzothiazol-2-yl-3-(trifluoromethyl)-3-pyrazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.9072491442	FC(F)(F)c1c(/C=N/c2ccccc2c2ccccc2)c(=O)n([nH]1)c1nc2ccccc2s1	InChI=1S/C24H15F3N4OS/c25-24(26,27)21-17(14-28-18-11-5-4-10-16(18)15-8-2-1-3-9-15)22(32)31(30-21)23-29-19-12-6-7-13-20(19)33-23/h1-14,30H/b28-14+	C24H15F3N4OS	464.462	5	1	85.83	5	5	1	0.4247	7.07185	3.11	8.807	40.9468	129.4897	3.0627	373.492801248949
Cond-009315	NPE704	4-[(1E)-3-(4-methoxyphenyl)-2-azaprop-1-enyl]-1-benzothiazol-2-yl-3-propyl-3-pyrazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.8708054863	CCCC1=NN(C(=O)/C/1=C/NCc1ccc(OC)cc1)c1nc2ccccc2s1	InChI=1S/C22H22N4O2S/c1-3-6-18-17(14-23-13-15-9-11-16(28-2)12-10-15)21(27)26(25-18)22-24-19-7-4-5-8-20(19)29-22/h4-5,7-12,14,23H,3,6,13H2,1-2H3/b17-14+	C22H22N4O2S	406.501	6	1	95.06	4	7	1	-1.0611	5.23416000000001	3.11	5.513	58.8658	121.0477	3.0241	360.654216950058
Cond-009316	NPE705	4-((1E)-4-piperazinyl-2-azabut-1-enyl)-1-benzothiazol-2-yl-3-(trifluoromethyl)-3-pyrazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.2052721049	FC(F)(F)c1c(/C=N/CCN2CCNCC2)c(=O)n([nH]1)c1nc2c(s1)cccc2	InChI=1S/C18H19F3N6OS/c19-18(20,21)15-12(11-23-7-10-26-8-5-22-6-9-26)16(28)27(25-15)17-24-13-3-1-2-4-14(13)29-17/h1-4,11,22,25H,5-10H2/b23-11+	C18H19F3N6OS	424.443	7	2	101.1	4	6	0	-0.1371	3.03226	2.23	2.333	75.2312	110.4294	2.7835	341.685624815682
Cond-009317	NPE706	4-[2-(1,1,3,3-Tetraoxo-5-phenyl-1lambda(6),3lambda(6)-1,3-dithian-2-yl)-ethyl]-morpholine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.2996353994	O=S1(=O)CC(CS(=O)(=O)C1CCN1CCOCC1)c1ccccc1	InChI=1S/C16H23NO5S2/c18-23(19)12-15(14-4-2-1-3-5-14)13-24(20,21)16(23)6-7-17-8-10-22-11-9-17/h1-5,15-16H,6-13H2	C16H23NO5S2	373.488	6	0	97.51	3	4	0	-1.372	2.8234	2.34	2.389	63.6776	92.509	2.6285	321.37940233604
Cond-009318	NPE707	4-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-3-(4-trifluoromethyl-phenyl)-butyric acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.4918848478	OC(=O)CC(CC(=O)NCCc1c[nH]c2c1cccc2)c1ccc(cc1)C(F)(F)F	InChI=1S/C22H21F3N2O3/c23-22(24,25)17-7-5-14(6-8-17)16(12-21(29)30)11-20(28)26-10-9-15-13-27-19-4-2-1-3-18(15)19/h1-8,13,16,27H,9-12H2,(H,26,28)(H,29,30)	C22H21F3N2O3	418.409	5	3	82.19	3	10	1	-0.1662	4.31008	3	5.621	45.4606	110.0055	2.9244	362.137493129204
Cond-009319	NPE708	4-(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-1-(3-dimethylamino-propyl)-3-hydroxy-5-(5-methyl-furan-2-yl)-1,5-dihydro-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	87.4881336624	CN(C)CCCN1C(c2ccc(C)o2)C(=C(O)C1=O)C(=O)c1cc2c(OCCO2)cc1	InChI=1S/C23H26N2O6/c1-14-5-7-17(31-14)20-19(22(27)23(28)25(20)10-4-9-24(2)3)21(26)15-6-8-16-18(13-15)30-12-11-29-16/h5-8,13,20,27H,4,9-12H2,1-3H3	C23H26N2O6	426.462	8	1	92.45	4	7	0	-1.2865	2.64389	3.11	2.906	73.531	117.8538	3.1227	388.781481305836
Cond-009320	NPE709	4-([2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-acetyl]-hydrazonomethyl)-benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1547411286	OC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3c(Cl)cccc3)CC2)cc1	InChI=1S/C21H23ClN4O3/c22-19-4-2-1-3-18(19)14-25-9-11-26(12-10-25)15-20(27)24-23-13-16-5-7-17(8-6-16)21(28)29/h1-8,13H,9-12,14-15H2,(H,24,27)(H,28,29)/b23-13+	C21H23ClN4O3	414.885	7	2	85.24	3	8	0	-0.2819	1.93499	2.89	3.993	61.7464	114.5725	3.0524	374.743420139185
Cond-009321	NPE71	1-(3,6-dibromocarbazol-9-yl)-3-(dipropylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.1361256545	CCCN(CCC)CC(O)Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2	InChI=1S/C21H26Br2N2O/c1-3-9-24(10-4-2)13-17(26)14-25-20-7-5-15(22)11-18(20)19-12-16(23)6-8-21(19)25/h5-8,11-12,17,26H,3-4,9-10,13-14H2,1-2H3	C21H26Br2N2O	482.252	3	1	28.4	3	8	1	0.8663	6.20759000000001	3.22	5.506	65.4261	118.9138	3.092	355.53499260883
Cond-009322	NPE710	4-{2-[4-(5-Isoxazol-3-yl-thiophene-2-sulfonyl)-piperazin-1-yl]-ethyl}-morpholine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	104.110499335	O=S(=O)(N1CCN(CCN2CCOCC2)CC1)c1ccc(s1)c1nocc1	InChI=1S/C17H24N4O4S2/c22-27(23,17-2-1-16(26-17)15-3-12-25-18-15)21-8-6-19(7-9-21)4-5-20-10-13-24-14-11-20/h1-3,12H,4-11,13-14H2	C17H24N4O4S2	412.527	8	0	115.74	4	6	0	-0.511699999999998	1.60389	2.23	0.0539999999999999	75.0913	98.854	2.8585	336.982523484246
Cond-009323	NPE711	{4-[(2,5-dioxo-4-imidazolidinylidene)methyl]-2-iodophenoxy}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.037035293	OC(=O)COc1c(I)cc(/C=C/2\NC(=O)NC2=O)cc1	InChI=1S/C12H9IN2O5/c13-7-3-6(1-2-9(7)20-5-10(16)17)4-8-11(18)15-12(19)14-8/h1-4H,5H2,(H,16,17)(H2,14,15,18,19)/b8-4-	C12H9IN2O5	388.115	7	3	104.73	2	4	0	0.0942000000000001	1.48687	1.9	1.808	51.877	81.1832	2.0325	253.261601493405
Cond-009324	NPE712	[4-(2-Chloro-benzyl)-piperazin-1-yl]-acetic acid thiophen-2-ylmethylene-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9272833042	Clc1ccccc1CN1CCN(CC(=O)N/N=C/c2cccs2)CC1	InChI=1S/C18H21ClN4OS/c19-17-6-2-1-4-15(17)13-22-7-9-23(10-8-22)14-18(24)21-20-12-16-5-3-11-25-16/h1-6,11-12H,7-10,13-14H2,(H,21,24)/b20-12+	C18H21ClN4OS	376.904	5	1	76.18	3	7	0	0.5485	2.46148	2.67	4.079	62.3206	106.5267	2.7618	329.056954319663
Cond-009325	NPE713	4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-3-{2-[(4-fluorophenyl)sulfonyl]ethylthio}-1,2,4-triazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.030683568	Fc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1c1cc2c(OCCO2)cc1	InChI=1S/C18H16FN3O5S2/c19-12-1-4-14(5-2-12)29(24,25)10-9-28-18-21-20-17(23)22(18)13-3-6-15-16(11-13)27-8-7-26-15/h1-6,11H,7-10H2,(H,20,23)	C18H16FN3O5S2	437.465	8	1	130.98	4	6	0	0.308700000000001	3.64205	2.23	3.522	55.5369	108.6387	2.804	347.593698649613
Cond-009326	NPE714	4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-3-{2-[(4-methylphenyl)sulfonyl]ethylthio}-1,2,4-triazolin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.030683568	Cc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1c1cc2c(OCCO2)cc1	InChI=1S/C19H19N3O5S2/c1-13-2-5-15(6-3-13)29(24,25)11-10-28-19-21-20-18(23)22(19)14-4-7-16-17(12-14)27-9-8-26-16/h2-7,12H,8-11H2,1H3,(H,20,23)	C19H19N3O5S2	433.501	8	1	130.98	4	6	0	0.471000000000001	3.53097	2.45	4.097	60.1665	112.3207	2.9272	358.822124425174
Cond-009327	NPE715	4-(2-hydroxy-3-{[2-(2-methylphenoxy)ethyl]amino}propoxy)-2,3,6-trimethylphenol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.3869209809	Cc1ccccc1OCC[NH2+]CC(O)COc1cc(C)c(O)c(C)c1C	InChI=1S/C21H29NO4/c1-14-7-5-6-8-19(14)25-10-9-22-12-18(23)13-26-20-11-15(2)21(24)17(4)16(20)3/h5-8,11,18,22-24H,9-10,12-13H2,1-4H3/p+1	C21H30NO4+	360.467	5	4	75.53	2	9	0	-0.1087	2.42268000000001	3.22	3.244	52.6225	105.1042	2.9484	356.916362598413
Cond-009328	NPE716	4-(2-Methoxy-phenyl)-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-6-p-tolyl-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.6602402265	COc1ccccc1c1cc(nc(SCC(=O)N2CCOCC2)c1C#N)c1ccc(C)cc1	InChI=1S/C26H25N3O3S/c1-18-7-9-19(10-8-18)23-15-21(20-5-3-4-6-24(20)31-2)22(16-27)26(28-23)33-17-25(30)29-11-13-32-14-12-29/h3-10,15H,11-14,17H2,1-2H3	C26H25N3O3S	459.56	6	0	100.75	4	7	1	0.271199999999999	4.84300000000001	3.55	5.185	59.2814	132.466	3.4606	422.358704544319
Cond-009329	NPE717	4-(2-methoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidylethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	80.5141152169	COc1c(cccc1)c1c(C#N)c(SCCN2CCCCC2)nc(c1)c1ccc(C)cc1	InChI=1S/C27H29N3OS/c1-20-10-12-21(13-11-20)25-18-23(22-8-4-5-9-26(22)31-2)24(19-28)27(29-25)32-17-16-30-14-6-3-7-15-30/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3	C27H29N3OS	443.604	4	0	74.45	4	7	1	0.411100000000001	6.47010000000001	3.88	7.188	57.2916	135.358	3.5271	424.710694469864
Cond-009330	NPE718	4-({2-[(methylamino)methyl]phenyl}sulfanyl)phenol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4287651377	CNCc1c(Sc2ccc(O)cc2)cccc1	InChI=1S/C14H15NOS/c1-15-10-11-4-2-3-5-14(11)17-13-8-6-12(16)7-9-13/h2-9,15-16H,10H2,1H3	C14H15NOS	245.34	2	2	57.56	2	4	0	-0.1762	2.78169	2.67	3.566	24.067	69.0167	1.928	226.664584822862
Cond-009331	NPE719	4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-trifluoromethyl-phenylmethanesulfonylmethyl)-thiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.1842198792	FC(F)(F)c1cccc(CS(=O)(=O)Cc2nc(cs2)c2ccc3OCCCOc3c2)c1	InChI=1S/C21H18F3NO4S2/c22-21(23,24)16-4-1-3-14(9-16)12-31(26,27)13-20-25-17(11-30-20)15-5-6-18-19(10-15)29-8-2-7-28-18/h1,3-6,9-11H,2,7-8,12-13H2	C21H18F3NO4S2	469.497	5	0	102.11	4	6	1	0.7137	5.63258000000001	2.67	5.756	47.8683	109.487	3.0038	369.933023110932
Cond-009332	NPE72	1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	81.2379290285	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCOCC1	InChI=1S/C19H20Br2N2O2/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(24)11-22-5-7-25-8-6-22/h1-4,9-10,15,24H,5-8,11-12H2	C19H20Br2N2O2	468.182	4	1	37.63	4	4	0	1.2088	4.41779	2.89	3.544	58.849	109.1508	2.7603	317.376791356857
Cond-009333	NPE720	4-(3,4-Dimethoxy-phenyl)-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-6-p-tolyl-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.5513477673	COc1ccc(cc1OC)c1cc(nc(SCC(=O)N2CCOCC2)c1C#N)c1ccc(C)cc1	InChI=1S/C27H27N3O4S/c1-18-4-6-19(7-5-18)23-15-21(20-8-9-24(32-2)25(14-20)33-3)22(16-28)27(29-23)35-17-26(31)30-10-12-34-13-11-30/h4-9,14-15H,10-13,17H2,1-3H3	C27H27N3O4S	489.586	7	0	109.98	4	8	0	0.219399999999999	4.85160000000001	3.55	4.53	66.5972	139.018	3.6602	448.444915870747
Cond-009334	NPE721	4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-{[2-(1-piperidinyl)ethyl]sulfanyl}nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1113151251	COc1c(OC)cc(cc1)c1c(C#N)c(SCCN2CCCCC2)nc(c1)c1ccc(C)cc1	InChI=1S/C28H31N3O2S/c1-20-7-9-21(10-8-20)25-18-23(22-11-12-26(32-2)27(17-22)33-3)24(19-29)28(30-25)34-16-15-31-13-5-4-6-14-31/h7-12,17-18H,4-6,13-16H2,1-3H3	C28H31N3O2S	473.63	5	0	83.68	4	8	1	0.359300000000002	6.47870000000001	3.88	6.533	64.6074	141.91	3.7267	450.796905796292
Cond-009335	NPE722	4-(3-aminophenyl)-2-methyl-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.5103110559	CC(CC(=O)c1cc(N)ccc1)C(=O)O	InChI=1S/C11H13NO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5,12H2,1H3,(H,14,15)	C11H13NO3	207.226	4	3	80.39	1	4	0	-0.9239	1.79619	2.23	0.931	30.6907	59.8447	1.6108	199.740977690384
Cond-009336	NPE723	(4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl}phenoxy)acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.1757822379	OC(=O)COc1ccc(/C=N/c2c(C#N)c3c(CCCC3)s2)cc1	InChI=1S/C18H16N2O3S/c19-9-15-14-3-1-2-4-16(14)24-18(15)20-10-12-5-7-13(8-6-12)23-11-17(21)22/h5-8,10H,1-4,11H2,(H,21,22)/b20-10+	C18H16N2O3S	340.396	5	1	110.92	3	5	0	-0.2626	3.13407	2.78	3.576	50.0839	91.3878	2.4712	304.159902132418
Cond-009337	NPE724	4-[(3-dimetylamino-propane-1-yl)amino]-2-phenyl-quinolone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5686348785	CN(C)CCCNc1cc(nc2c1cccc2)c1ccccc1	InChI=1S/C20H23N3/c1-23(2)14-8-13-21-20-15-19(16-9-4-3-5-10-16)22-18-12-7-6-11-17(18)20/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,21,22)	C20H23N3	305.417	3	1	28.16	3	6	1	-0.4674	4.71899000000001	3.33	5.581	29.9274	100.7647	2.5562	296.605386133835
Cond-009338	NPE725	4-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}benzylidene)-2-phenyl-1,3-oxazole-5(4H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.3994068556	COc1cc(/C=C/2\N=C(OC2=O)c2ccccc2)ccc1OCCOCCOc1ccccc1C	InChI=1S/C28H27NO6/c1-20-8-6-7-11-24(20)33-16-14-32-15-17-34-25-13-12-21(19-26(25)31-2)18-23-28(30)35-27(29-23)22-9-4-3-5-10-22/h3-13,18-19H,14-17H2,1-2H3/b23-18-	C28H27NO6	473.517	7	0	75.58	4	11	2	0.138899999999999	5.14880000000001	3.77	6.923	58.6606	136.441	3.5554	442.818809423803
Cond-009339	NPE726	4-[4-(3-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.5012596238	COc1cc(OCCCCc2c(C)[nH]nc2C)ccc1	InChI=1S/C16H22N2O2/c1-12-16(13(2)18-17-12)9-4-5-10-20-15-8-6-7-14(11-15)19-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18)	C16H22N2O2	274.358	4	1	47.14	2	7	0	-0.249300000000001	3.81473	2.78	4.076	39.1007	82.402	2.2478	265.170975626523
Cond-009340	NPE727	4-(4,4-DIMETHYL-2-OXOCYCLOHEXYL)BUTYRIC ACID	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.2656161	CC1(C)CCC(CCCC(=O)[O-])C(=O)C1	InChI=1S/C12H20O3/c1-12(2)7-6-9(10(13)8-12)4-3-5-11(14)15/h9H,3-8H2,1-2H3,(H,14,15)/p-1	C12H19O3-	211.277	3	0	57.2	1	4	0	-0.0567000000000009	1.53589	2.45	1.679	53.3128	58.23	1.7594	223.531348860083
Cond-009341	NPE728	4-(4-Acetyl-piperazine-1-sulfonyl)-N-butyl-benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.3075754699	CCCCNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C	InChI=1S/C16H25N3O5S2/c1-3-4-9-17-25(21,22)15-5-7-16(8-6-15)26(23,24)19-12-10-18(11-13-19)14(2)20/h5-8,17H,3-4,9-13H2,1-2H3	C16H25N3O5S2	403.517	8	1	120.62	2	8	0	-2.9646	1.31758	2.12	0.765	70.432	91.0777	2.8937	353.092922752374
Cond-009342	NPE729	4-(4-Benzyloxy-3-methoxy-phenyl)-6-phenyl-2-(2-piperidin-1-yl-ethylsulfanyl)-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.2294902201	COc1c(OCc2ccccc2)ccc(c1)c1c(C#N)c(SCCN2CCCCC2)nc(c1)c1ccccc1	InChI=1S/C33H33N3O2S/c1-37-32-21-27(15-16-31(32)38-24-25-11-5-2-6-12-25)28-22-30(26-13-7-3-8-14-26)35-33(29(28)23-34)39-20-19-36-17-9-4-10-18-36/h2-3,5-8,11-16,21-22H,4,9-10,17-20,24H2,1H3	C33H33N3O2S	535.699	5	0	83.68	5	10	1	-0.3734	7.68158000000001	4.43	9.118	58.1208	161.736	4.1936	506.110994122425
Cond-009343	NPE73	1-(3,6-dibromocarbazol-9-yl)-3-piperidylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	44.3885980221	OC(Cn1c2c(cc(Br)cc2)c2c1ccc(Br)c2)CN1CCCCC1	InChI=1S/C20H22Br2N2O/c21-14-4-6-19-17(10-14)18-11-15(22)5-7-20(18)24(19)13-16(25)12-23-8-2-1-3-9-23/h4-7,10-11,16,25H,1-3,8-9,12-13H2	C20H22Br2N2O	466.209	3	1	28.4	4	4	0	0.475699999999999	5.57149000000001	3.11	4.808	56.5403	112.1828	2.8425	325.882549282163
Cond-009344	NPE730	4-(4-Benzyl-piperazin-1-ylmethyl)-1-(4-chloro-benzenesulfonyl)-piperidin-4-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4493583977	OC1(CN2CCN(Cc3ccccc3)CC2)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1	InChI=1S/C23H30ClN3O3S/c24-21-6-8-22(9-7-21)31(29,30)27-12-10-23(28,11-13-27)19-26-16-14-25(15-17-26)18-20-4-2-1-3-5-20/h1-9,28H,10-19H2	C23H30ClN3O3S	464.021	6	1	72.47	4	6	0	-1.3942	2.84779	3.11	3.837	70.9416	117.4938	3.4183	412.400570641953
Cond-009345	NPE731	4-(4-bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0027759983	C[NH+]1CCN(CC1)C(CC(=O)c1ccc(Br)cc1)C(=O)[O-]	InChI=1S/C15H19BrN2O3/c1-17-6-8-18(9-7-17)13(15(20)21)10-14(19)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,20,21)	C15H19BrN2O3	355.227	5	1	64.88	2	5	0	-1.6969	-0.79541	2.45	0.903	54.2021	83.3212	2.3406	286.848836678784
Cond-009346	NPE732	4-(4-chlorophenyl)-2-(5-phenyl-3-(2-5,6,7,8-tetrahydronaphthyl)(2-pyrazolinyl))-1,3-thiazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.254273004	Clc1ccc(cc1)c1csc(n1)N1N=C(CC1c1ccccc1)c1ccc2CCCCc2c1	InChI=1S/C28H24ClN3S/c29-24-14-12-20(13-15-24)26-18-33-28(30-26)32-27(21-7-2-1-3-8-21)17-25(31-32)23-11-10-19-6-4-5-9-22(19)16-23/h1-3,7-8,10-16,18,27H,4-6,9,17H2	C28H24ClN3S	470.028	3	0	56.73	6	4	1	0.775699999999999	7.79517000000001	3.99	10.835	46.4113	136.583	3.4715	410.178144063202
Cond-009347	NPE733	4-(4-chlorophenyl)-6-phenyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	66.2637390661	CC(Sc1nc(cc(c2ccc(Cl)cc2)c1C#N)c1ccccc1)C1CCCCN1	InChI=1S/C25H24ClN3S/c1-17(23-9-5-6-14-28-23)30-25-22(16-27)21(18-10-12-20(26)13-11-18)15-24(29-25)19-7-3-2-4-8-19/h2-4,7-8,10-13,15,17,23,28H,5-6,9,14H2,1H3	C25H24ClN3S	433.996	3	1	74.01	4	5	1	0.0472999999999995	7.13158	3.66	7.5	49.0492	130.1217	3.309	396.539566288002
Cond-009348	NPE734	[4-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)-5-pyrimidinyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0918936736	CSc1ncc(CC(=O)O)c(Sc2ccc(Cl)cc2)n1	InChI=1S/C13H11ClN2O2S2/c1-19-13-15-7-8(6-11(17)18)12(16-13)20-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H,17,18)	C13H11ClN2O2S2	326.822	4	1	113.68	2	5	0	1.8228	4.10756	2.12	3.185	38.6678	81.7048	2.1885	260.239220232956
Cond-009349	NPE735	4-(4-fluorophenyl)-2-[(2-indol-3-ylethyl)amino]-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.8795166449	[nH]1cc(CCNC(CC(=O)c2ccc(F)cc2)C(=O)O)c2c1cccc2	InChI=1S/C20H19FN2O3/c21-15-7-5-13(6-8-15)19(24)11-18(20(25)26)22-10-9-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18,22-23H,9-11H2,(H,25,26)	C20H19FN2O3	354.375	5	3	82.19	3	8	0	-0.7198	3.32248	3	3.473	37.0738	101.493	2.6072	315.410406176858
Cond-009350	NPE736	4-(4-fluorophenyl)-6-phenyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	64.2746028103	Fc1ccc(cc1)c1cc(nc(SCCN2CCCCC2)c1C#N)c1ccccc1	InChI=1S/C25H24FN3S/c26-21-11-9-19(10-12-21)22-17-24(20-7-3-1-4-8-20)28-25(23(22)18-27)30-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17H,2,5-6,13-16H2	C25H24FN3S	417.542	3	0	65.22	4	6	1	0.3006	6.57258000000001	3.66	7.268	45.3462	125.124	3.2043	387.396057367875
Cond-009351	NPE737	4-(4-Methoxy-benzoyl)-1H-pyrrole-2-carboxylic acid (3-morpholin-4-yl-propyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.3958610215	COc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1	InChI=1S/C20H25N3O4/c1-26-17-5-3-15(4-6-17)19(24)16-13-18(22-14-16)20(25)21-7-2-8-23-9-11-27-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)	C20H25N3O4	371.43	7	2	83.66	3	9	0	-1.7301	1.19289	2.89	1.648	59.1052	104.8822	2.834	345.30275163688
Cond-009352	NPE738	4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethylthio)-6-phenylpyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.4786167852	COc1ccc(cc1)c1cc(nc(SCC(=O)N2CCOCC2)c1C#N)c1ccccc1	InChI=1S/C25H23N3O3S/c1-30-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)27-25(22(21)16-26)32-17-24(29)28-11-13-31-14-12-28/h2-10,15H,11-14,17H2,1H3	C25H23N3O3S	445.533	6	0	100.75	4	7	0	-0.370799999999999	4.81498000000001	3.44	4.862	53.7793	128.826	3.3197	405.062719918452
Cond-009353	NPE739	4-(4-Methoxy-phenyl)-2-(2-morpholin-4-yl-ethylsulfanyl)-6-phenyl-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.5134521715	COc1ccc(cc1)c1cc(nc(SCCN2CCOCC2)c1C#N)c1ccccc1	InChI=1S/C25H25N3O2S/c1-29-21-9-7-19(8-10-21)22-17-24(20-5-3-2-4-6-20)27-25(23(22)18-26)31-16-13-28-11-14-30-15-12-28/h2-10,17H,11-16H2,1H3	C25H25N3O2S	431.55	5	0	83.68	4	7	1	0.5022	5.28838000000001	3.55	5.601	54.0982	128.686	3.304	398.908951918691
Cond-009354	NPE74	1-(3,6-dichlorocarbazol-9-yl)-3-[(2-hydroxyethyl)methylamino]propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	38.9128273119	CN(CCO)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C18H20Cl2N2O2/c1-21(6-7-23)10-14(24)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,23-24H,6-7,10-11H2,1H3	C18H20Cl2N2O2	367.27	4	2	48.63	3	6	0	0.692699999999999	3.79149	2.78	2.559	50.0998	101.0946	2.6228	304.292163017524
Cond-009355	NPE740	4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	61.9182413995	COc1ccc(cc1)c1cc(nc(SCC(=O)N2CCOCC2)c1C#N)c1ccc(C)cc1	InChI=1S/C26H25N3O3S/c1-18-3-5-20(6-4-18)24-15-22(19-7-9-21(31-2)10-8-19)23(16-27)26(28-24)33-17-25(30)29-11-13-32-14-12-29/h3-10,15H,11-14,17H2,1-2H3	C26H25N3O3S	459.56	6	0	100.75	4	7	1	0.271199999999999	4.84300000000001	3.55	5.185	59.2814	132.466	3.4606	422.358704544319
Cond-009356	NPE741	4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-{[2-(4-morpholinyl)ethyl]sulfanyl}nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7597752283	COc1ccc(cc1)c1cc(nc(SCC[NH+]2CCOCC2)c1C#N)c1ccc(C)cc1	InChI=1S/C26H27N3O2S/c1-19-3-5-21(6-4-19)25-17-23(20-7-9-22(30-2)10-8-20)24(18-27)26(28-25)32-16-13-29-11-14-31-15-12-29/h3-10,17H,11-16H2,1-2H3/p+1	C26H28N3O2S+	446.584	5	1	84.88	4	7	1	-0.312900000000001	3.89930000000001	3.66	5.765	56.7023	131.4497	3.4664	417.523165894958
Cond-009357	NPE742	4-(4-methoxyphenyl)-6-phenyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.4229719736	COc1ccc(cc1)c1c(C#N)c(SC(C)C2CCCCN2)nc(c1)c1ccccc1	InChI=1S/C26H27N3OS/c1-18(24-10-6-7-15-28-24)31-26-23(17-27)22(19-11-13-21(30-2)14-12-19)16-25(29-26)20-8-4-3-5-9-20/h3-5,8-9,11-14,16,18,24,28H,6-7,10,15H2,1-2H3	C26H27N3OS	429.577	4	1	83.24	4	6	1	-0.748799999999999	6.48678000000001	3.77	6.96	50.7494	131.6637	3.3862	407.414709843997
Cond-009358	NPE743	4-(4-methoxyphenyl)-9-oxo-2-[(2-oxopropyl)sulfanyl]-9H-indeno[2,1-b]pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5969837	COc1ccc(cc1)c1c2c3ccccc3C(=O)c2nc(SCC(=O)C)c1C#N	InChI=1S/C23H16N2O3S/c1-13(26)12-29-23-18(11-24)19(14-7-9-15(28-2)10-8-14)20-16-5-3-4-6-17(16)22(27)21(20)25-23/h3-10H,12H2,1-2H3	C23H16N2O3S	400.45	5	0	105.35	4	5	0	-0.146	5.08958	3.33	4.417	41.9863	115.5405	2.8951	356.837531757752
Cond-009359	NPE744	4-{[4-methyl-5-(2-oxo-2-phenylethylthio)(1,2,4-triazol-3-yl)]methyl}-6-(trifluoromethyl)-2H-benzo[e]1,4-thiazaperhydroin-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.710687059	Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCC(=O)c1ccccc1	InChI=1S/C21H17F3N4O2S2/c1-27-18(25-26-20(27)32-11-16(29)13-5-3-2-4-6-13)10-28-15-9-14(21(22,23)24)7-8-17(15)31-12-19(28)30/h2-9H,10-12H2,1H3	C21H17F3N4O2S2	478.51	6	0	118.69	4	7	1	1.1042	3.99395	2.56	5.805	57.24	111.421	3.0998	380.06993293271
Cond-009360	NPE745	4-(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-ylsulfanyl)-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.9956437331	Cn1c(Sc2c3CCCc3c(C#N)c3nc4c(cccc4)n23)nnc1c1ccccc1	InChI=1S/C24H18N6S/c1-29-21(15-8-3-2-4-9-15)27-28-24(29)31-23-17-11-7-10-16(17)18(14-25)22-26-19-12-5-6-13-20(19)30(22)23/h2-6,8-9,12-13H,7,10-11H2,1H3	C24H18N6S	422.505	6	0	97.1	6	3	1	0.5908	5.96304	3.33	6.753	38.1272	122.218	3.0419	345.236959713002
Cond-009361	NPE746	4-(4-methylphenyl)-4-oxo-2-[4-benzylpiperazinyl]butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.2824637578	Cc1ccc(cc1)C(=O)CC(N1CCN(Cc2ccccc2)CC1)C(=O)O	InChI=1S/C22H26N2O3/c1-17-7-9-19(10-8-17)21(25)15-20(22(26)27)24-13-11-23(12-14-24)16-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,26,27)	C22H26N2O3	366.453	5	1	60.85	3	7	0	0.100499999999999	2.45281	3.33	4.973	55.2964	106.2323	2.9143	357.471275279086
Cond-009362	NPE747	4-[(4-methylphenyl)sulfanyl]-3-pyridinesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.8024862854	Cc1ccc(Sc2c(cncc2)S(=O)(=O)N)cc1	InChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)17-11-6-7-14-8-12(11)18(13,15)16/h2-8H,1H3,(H2,13,15,16)	C12H12N2O2S2	280.366	4	2	106.73	2	3	0	0.2961	1.8552	2.12	2.237	24.4372	61.1634	1.9682	230.368626537456
Cond-009363	NPE748	4-(4-tert-Butyl-phenyl)-2-(4-chloro-benzylamino)-4-oxo-butyric acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.9854566608	CC(C)(C)c1ccc(cc1)C(=O)CC(NCc1ccc(Cl)cc1)C(=O)O	InChI=1S/C21H24ClNO3/c1-21(2,3)16-8-6-15(7-9-16)19(24)12-18(20(25)26)23-13-14-4-10-17(22)11-5-14/h4-11,18,23H,12-13H2,1-3H3,(H,25,26)	C21H24ClNO3	373.873	4	2	66.4	2	8	1	1.2658	4.34769	3.22	6.237	53.1919	106.292	2.9046	356.746056916285
Cond-009364	NPE749	4-[(4-Trifluoromethoxy-phenylamino)-methyl]-2H-phthalazin-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.5031014726	FC(F)(F)Oc1ccc(NCc2n[nH]c(=O)c3c2cccc3)cc1	InChI=1S/C16H12F3N3O2/c17-16(18,19)24-11-7-5-10(6-8-11)20-9-14-12-3-1-2-4-13(12)15(23)22-21-14/h1-8,20H,9H2,(H,22,23)	C16H12F3N3O2	335.281	5	2	62.72	3	5	1	0.7219	3.61097	2.34	5.022	30.3334	86.1394000000001	2.1631	274.104577582409
Cond-009365	NPE75	1-(3,6-Dichloro-carbazol-9-yl)-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5137836942	OCCN1CCN(CC(O)Cn2c3c(cc(Cl)cc3)c3c2ccc(Cl)c3)CC1	InChI=1S/C21H25Cl2N3O2/c22-15-1-3-20-18(11-15)19-12-16(23)2-4-21(19)26(20)14-17(28)13-25-7-5-24(6-8-25)9-10-27/h1-4,11-12,17,27-28H,5-10,13-14H2	C21H25Cl2N3O2	422.348	5	2	51.87	4	6	0	0.65	3.47729	3	2.202	66.1499	116.4776	3.0367	354.820418402491
Cond-009366	NPE750	4-[5-(2-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-yl]-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7630965555	Cc1ccc(cc1)C1=NN(C(C1)c1c(F)cccc1)C(=O)CCC(=O)O	InChI=1S/C20H19FN2O3/c1-13-6-8-14(9-7-13)17-12-18(15-4-2-3-5-16(15)21)23(22-17)19(24)10-11-20(25)26/h2-9,18H,10-12H2,1H3,(H,25,26)	C20H19FN2O3	354.375	5	1	69.97	3	6	1	0.195499999999999	3.689	3	5.179	44.684	97.9618	2.6072	326.310406176858
Cond-009367	NPE751	4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazole-3-yl)-1,2,5-oxadiazole-3-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.5342965353	Nc1nonc1c1noc(COc2cc(ccc2)C(F)(F)F)n1	InChI=1S/C12H8F3N5O3/c13-12(14,15)6-2-1-3-7(4-6)21-5-8-17-11(20-22-8)9-10(16)19-23-18-9/h1-4H,5H2,(H2,16,19)	C12H8F3N5O3	327.219	8	2	113.09	3	5	0	-0.1025	2.05339	1.57	2.917	20.2262	70.5984	1.9008	227.440844896636
Cond-009368	NPE752	4-({5-[(4-chlorophenyl)methylthio]-4-methyl(1,2,4-triazol-3-yl)}methyl)-6-(trifluoromethyl)-2H-benzo[e]1,4-thiazaperhydroin-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	67.7632417821	Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1	InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3	C20H16ClF3N4OS2	484.945	5	0	101.62	4	6	1	2.3257	6.42966	2.45	5.983	57.6598	120.14	3.0656	371.831248077515
Cond-009369	NPE753	4-[5-(4-tert-Butyl-phenyl)-4-methyl-4H-1,2,4-triazol-3-ylsulfanylmethyl]-7-hydroxy-1-benzopyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.8824898197	Cn1c(SCc2cc(=O)oc3c2ccc(O)c3)nnc1c1ccc(cc1)C(C)(C)C	InChI=1S/C23H23N3O3S/c1-23(2,3)16-7-5-14(6-8-16)21-24-25-22(26(21)4)30-13-15-11-20(28)29-19-12-17(27)9-10-18(15)19/h5-12,27H,13H2,1-4H3	C23H23N3O3S	421.512	6	1	102.54	4	5	1	1.888	5.42374000000001	3.22	6.519	58.1069	120.4418	3.1239	375.743668068319
Cond-009370	NPE754	4-(5,6-diphenylpyridazin-3-yl)-1-methoxy-2-(morpholin-4-ylmethyl)benzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.282513765	COc1ccc(cc1CN1CCOCC1)c1cc(c2ccccc2)c(nn1)c1ccccc1	InChI=1S/C28H27N3O2/c1-32-27-13-12-23(18-24(27)20-31-14-16-33-17-15-31)26-19-25(21-8-4-2-5-9-21)28(30-29-26)22-10-6-3-7-11-22/h2-13,18-19H,14-17,20H2,1H3	C28H27N3O2	437.533	5	0	47.48	5	6	1	-0.134699999999999	6.48998000000001	3.99	7.982	35.3939	137.293	3.4116	406.394964337091
Cond-009371	NPE755	4,5-dimethoxy-2-{[4-(naphthylmethyl)piperazinyl]methyl}-1-nitrobenzene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	70.0986580633	COc1c(OC)cc(c(C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)c1)N(=O)=O	InChI=1S/C24H27N3O4/c1-30-23-14-20(22(27(28)29)15-24(23)31-2)17-26-12-10-25(11-13-26)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,14-15H,10-13,16-17H2,1-2H3/p+2	C24H29N3O4++	423.505	7	2	70.48	4	7	1	-2.2617	1.0454	3.33	5.446	46.7948	120.6864	3.246	388.593772738747
Cond-009372	NPE756	4-(5-fluoroindolinyl)-4-oxobutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.1298651984	OC(=O)CCC(=O)N1CCc2cc(F)ccc12	InChI=1S/C12H12FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,7H,3-6H2,(H,16,17)	C12H12FNO3	237.227	4	1	57.61	2	4	0	-0.0581000000000003	2.34058	2.23	1.35	33.7957	62.9938	1.6608	210.748062465757
Cond-009373	NPE757	{4-[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]pyrrol-2-yl}-N-(4-pyridylmethyl)carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0311574458	Cc1c(C(=O)c2c[nH]c(c2)C(=O)NCc2ccncc2)c(no1)c1ccccc1	InChI=1S/C22H18N4O3/c1-14-19(20(26-29-14)16-5-3-2-4-6-16)21(27)17-11-18(24-13-17)22(28)25-12-15-7-9-23-10-8-15/h2-11,13,24H,12H2,1H3,(H,25,28)	C22H18N4O3	386.403	7	2	100.88	4	7	0	-1.022	2.3752	3.11	4.416	28.1513	110.9562	2.8333	334.762502191419
Cond-009374	NPE758	4-({[6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-1,3-benzothiazol-2-yl]sulfanyl}methyl)benzoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	34.8350744222	OC(=O)c1ccc(CSc2nc3c(s2)cc(cc3)N2C(=O)C3C4CC(C=C4)C3C2=O)cc1	InChI=1S/C24H18N2O4S2/c27-21-19-14-5-6-15(9-14)20(19)22(28)26(21)16-7-8-17-18(10-16)32-24(25-17)31-11-12-1-3-13(4-2-12)23(29)30/h1-8,10,14-15,19-20H,9,11H2,(H,29,30)	C24H18N2O4S2	462.541	6	1	141.11	6	5	0	-0.1767	3.99166	3.22	4.014	67.9343	121.4808	3.127	381.99276714178
Cond-009375	NPE759	4',6-Diamidino-2-phenylindole dehydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.1464669621	NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N	InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)	C16H15N5	277.324	5	7	115.53	3	3	0	-1.3736	1.96696	2.67	3.052	20.6972	88.5692	2.1492	246.778509345901
Cond-009376	NPE76	1-(3,6-Dichloro-carbazol-9-yl)-3-(4-methyl-piperidin-1-yl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	69.7727794354	CC1CCN(CC(O)Cn2c3c(cc(Cl)cc3)c3c2ccc(Cl)c3)CC1	InChI=1S/C21H24Cl2N2O/c1-14-6-8-24(9-7-14)12-17(26)13-25-20-4-2-15(22)10-18(20)19-11-16(23)3-5-21(19)25/h2-5,10-11,14,17,26H,6-9,12-13H2,1H3	C21H24Cl2N2O	391.334	3	1	28.4	4	4	0	0.608099999999999	5.59929000000001	3.22	4.64	56.197	111.3498	2.8782	335.033431493763
Cond-009377	NPE760	4,6-dichloro-2H-chromene-3-carbaldehyde O3-{3-[(4-chlorobenzyl)amino]-2-hydroxypropyl}oxime	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	10.4044047845	OC(CNCc1ccc(Cl)cc1)CO/N=C/C1=C(Cl)c2c(OC1)ccc(Cl)c2	InChI=1S/C20H19Cl3N2O3/c21-15-3-1-13(2-4-15)8-24-10-17(26)12-28-25-9-14-11-27-19-6-5-16(22)7-18(19)20(14)23/h1-7,9,17,24,26H,8,10-12H2/b25-9+	C20H19Cl3N2O3	441.735	5	2	63.08	3	8	0	0.9024	4.11628	2.78	4.412	63.9464	113.6695	2.9997	368.512509338652
Cond-009378	NPE761	4,6-dimethyl-2-{[(3-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazol-5-yl)methyl]thio}nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.1237896336	Cc1nc(SCc2nc(COc3cc(ccc3)C(F)(F)F)no2)c(C#N)c(C)c1	InChI=1S/C19H15F3N4O2S/c1-11-6-12(2)24-18(15(11)8-23)29-10-17-25-16(26-28-17)9-27-14-5-3-4-13(7-14)19(20,21)22/h3-7H,9-10H2,1-2H3	C19H15F3N4O2S	420.408	6	0	110.13	3	7	1	2.5199	5.26373	2.45	5.626	44.3239	101.343	2.7631	339.325398324176
Cond-009379	NPE762	4,6-diphenyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	84.1353632724	N#Cc1c(SCCN2CCCCC2)nc(cc1c1ccccc1)c1ccccc1	InChI=1S/C25H25N3S/c26-19-23-22(20-10-4-1-5-11-20)18-24(21-12-6-2-7-13-21)27-25(23)29-17-16-28-14-8-3-9-15-28/h1-2,4-7,10-13,18H,3,8-9,14-17H2	C25H25N3S	399.551	3	0	65.22	4	6	1	-0.1791	6.43348000000001	3.77	8.364	44.4737	125.166	3.1866	381.328498517569
Cond-009380	NPE763	4-({7-[(3-carboxypropyl)oxysulfonyl]fluoren-2-yl}sulfonyloxy)butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1811516834	[O-]C(=O)CCCOS(=O)(=O)c1ccc2c(Cc3cc(ccc23)S(=O)(=O)OCCCC(=O)[O-])c1	InChI=1S/C21H22O10S2/c22-20(23)3-1-9-30-32(26,27)16-5-7-18-14(12-16)11-15-13-17(6-8-19(15)18)33(28,29)31-10-2-4-21(24)25/h5-8,12-13H,1-4,9-11H2,(H,22,23)(H,24,25)/p-2	C21H20O10S2--	496.507	10	0	183.76	3	12	1	-2.6478	-0.385419999999995	2.45	0.127	58.8136	101.3835	3.2687	414.094946555213
Cond-009381	NPE764	4-(7-methyl-4-oxo-1,2,3,5,6,7,8-heptahydropyrimidino[5',4'-4,5]thiopheno[2,3-c]pyridin-2-yl)phenyl 3-bromobenzoate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.9338268441	C[NH+]1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(OC(=O)c2cccc(Br)c2)cc1	InChI=1S/C23H20BrN3O3S/c1-27-10-9-17-18(12-27)31-22-19(17)21(28)25-20(26-22)13-5-7-16(8-6-13)30-23(29)14-3-2-4-15(24)11-14/h2-8,11,20,26H,9-10,12H2,1H3,(H,25,28)/p+1	C23H21BrN3O3S+	499.4	6	3	100.11	5	4	0	-0.597499999999999	2.45558	3.11	4.289	56.1762	123.2196	3.2118	383.989057695485
Cond-009382	NPE765	4-acetyl-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9797047536	CN(C)CCCN1C(C(=C(O)C1=O)C(=O)C)c1ccc(Br)cc1	InChI=1S/C17H21BrN2O3/c1-11(21)14-15(12-5-7-13(18)8-6-12)20(17(23)16(14)22)10-4-9-19(2)3/h5-8,15,22H,4,9-10H2,1-3H3	C17H21BrN2O3	381.264	5	1	60.85	2	6	0	-0.388200000000001	2.50418	2.67	3.221	67.5403	94.2978000000001	2.5794	318.804347229718
Cond-009383	NPE766	4-Allyl-5-(2-carbazol-9-yl-ethyl)-4H-1,2,4-triazole-3-thiol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	16.828388598	Sc1nnc(CCn2c3ccccc3c3ccccc23)n1CC=C	InChI=1S/C19H18N4S/c1-2-12-23-18(20-21-19(23)24)11-13-22-16-9-5-3-7-14(16)15-8-4-6-10-17(15)22/h2-10H,1,11-13H2,(H,21,24)	C19H18N4S	334.438	4	0	74.44	4	5	1	0.9801	5.65035	3	5.741	36.9708	104.513	2.527	282.922268372135
Cond-009384	NPE767	4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.146100645	C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc23)nnc1c1ccncc1	InChI=1S/C24H19N5OS2/c1-2-15-28-23(17-11-13-25-14-12-17)26-27-24(28)31-16-22(30)29-18-7-3-5-9-20(18)32-21-10-6-4-8-19(21)29/h2-14H,1,15-16H2	C24H19N5OS2	457.571	6	0	114.51	5	7	1	1.0769	5.85983	3.22	5.655	45.3479	125.994	3.2729	384.795908963796
Cond-009385	NPE768	4-ALLYLOXY-4-AZA-TRICYCLO(5.2.1.0(2,6))DEC-8-ENE-3,5-DIONE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.191211711	C=CCON1C(=O)C2C3CC(C=C3)C2C1=O	InChI=1S/C12H13NO3/c1-2-5-16-13-11(14)9-7-3-4-8(6-7)10(9)12(13)15/h2-4,7-10H,1,5-6H2	C12H13NO3	219.237	4	0	46.61	3	3	0	-0.5647	0.99737	2.34	0.663	56.8943	58.422	1.5775	205.86050361545
Cond-009386	NPE769	4-Amino-1,8-naphthalimide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.8608268522	Nc1ccc2c(=O)[nH]c(=O)c3c2c1ccc3	InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	C12H8N2O2	212.204	4	3	72.19	3	0	0	-1.5082	2.38228	2.34	1.223	16.6051	63.5946	1.4896	178.357661020656
Cond-009387	NPE77	1-(3,6-dichlorocarbazol-9-yl)-3-[bis(3-methylbutyl)amino]propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	11.1320535195	CC(C)CCN(CCC(C)C)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C25H34Cl2N2O/c1-17(2)9-11-28(12-10-18(3)4)15-21(30)16-29-24-7-5-19(26)13-22(24)23-14-20(27)6-8-25(23)29/h5-8,13-14,17-18,21,30H,9-12,15-16H2,1-4H3	C25H34Cl2N2O	449.456	3	1	28.4	3	10	1	1.6205	7.26159000000001	3.66	6.984	76.1973	131.8618	3.5504	416.573828698031
Cond-009388	NPE770	(4aR,7aR)-2,2,4a,7-Tetramethyl-tetrahydro-furo[3,2-d][1,3]dioxin-6-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.2332812579	CC1[C@H]2OC(C)(C)OC[C@@]2(C)OC1=O	InChI=1S/C10H16O4/c1-6-7-10(4,14-8(6)11)5-12-9(2,3)13-7/h6-7H,5H2,1-4H3/t6?,7-,10-/m1/s1	C10H16O4	200.232	4	0	44.76	2	0	0	0.1339	1.32339	2.12	1.069	49.1276	51.808	1.4922	189.327835659311
Cond-009389	NPE771	(4aR,7R,7aR)-2,2,4a,7-Tetramethyl-tetrahydro-furo[3,2-d][1,3]dioxin-6-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	101.395958272	C[C@@H]1[C@H]2OC(C)(C)OC[C@@]2(C)OC1=O	InChI=1S/C10H16O4/c1-6-7-10(4,14-8(6)11)5-12-9(2,3)13-7/h6-7H,5H2,1-4H3/t6-,7-,10-/m1/s1	C10H16O4	200.232	4	0	44.76	2	0	0	0.1339	1.32339	2.12	1.069	49.1276	51.808	1.4922	189.327835659311
Cond-009390	NPE772	(4aR,7R,8aR)-2,2,4a-Trimethyl-7-phenethyl-4-((S)-styryl)-tetrahydro-pyrano[4,3-d][1,3]dioxin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4752809555	[C@@H]1(CCc2ccccc2)C[C@H]2OC(C)(C)O[C@@H](/C=C/c3ccccc3)[C@]2(C)C(=O)O1	InChI=1S/C26H30O4/c1-25(2)29-22(17-15-20-12-8-5-9-13-20)26(3)23(30-25)18-21(28-24(26)27)16-14-19-10-6-4-7-11-19/h4-13,15,17,21-23H,14,16,18H2,1-3H3/b17-15+/t21-,22+,23-,26+/m1/s1	C26H30O4	406.514	4	0	44.76	4	5	1	-0.201500000000001	5.22568000000001	3.88	9.455	62.9514	118.849	3.22840000000001	401.09546136598
Cond-009391	NPE773	(4aS,9aS)-4a-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	119.932520114	[C@H]12CCCC[C@@]1(C)c1c(N2)cccc1	InChI=1S/C13H17N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3/t12-,13-/m0/s1	C13H17N	187.281	1	1	12.03	3	0	0	-1.0002	3.91249	2.78	3.943	28.4207	59.9157	1.5853	188.522266840434
Cond-009392	NPE774	4-{[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-methylene}-2-benzothiazol-2-yl-5-phenyl-2,4-dihydro-pyrazol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.2040240112	O=C1N(N=C(/C/1=C/NCc1ccc2OCOc2c1)c1ccccc1)c1nc2ccccc2s1	InChI=1S/C25H18N4O3S/c30-24-18(14-26-13-16-10-11-20-21(12-16)32-15-31-20)23(17-6-2-1-3-7-17)28-29(24)25-27-19-8-4-5-9-22(19)33-25/h1-12,14,26H,13,15H2/b18-14-	C25H18N4O3S	454.5	7	1	104.29	6	5	1	-1.1101	5.70325	3.33	6.92	45.6626	133.3157	3.1593	377.810104024219
Cond-009393	NPE775	4-(Benzofuran-2-carbonyl)-1-(3-dimethylamino-propyl)-3-hydroxy-5-(5-methyl-furan-2-yl)-1,5-dihydro-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5636985001	CN(C)CCCN1C(c2ccc(C)o2)C(=C(O)C1=O)C(=O)c1cc2c(o1)cccc2	InChI=1S/C23H24N2O5/c1-14-9-10-17(29-14)20-19(22(27)23(28)25(20)12-6-11-24(2)3)21(26)18-13-15-7-4-5-8-16(15)30-18/h4-5,7-10,13,20,27H,6,11-12H2,1-3H3	C23H24N2O5	408.447	7	1	87.13	4	7	0	-1.1556	3.04419	3.22	4.242	62.4875	116.7378	3.021	366.454795904474
Cond-009394	NPE776	4-benzooxazole-2-ylthiobenzene-1,2-dicarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.4557483578	N#Cc1c(cc(Sc2nc3ccccc3o2)cc1)C#N	InChI=1S/C15H7N3OS/c16-8-10-5-6-12(7-11(10)9-17)20-15-18-13-3-1-2-4-14(13)19-15/h1-7H	C15H7N3OS	277.301	4	0	98.91	3	2	0	0.5059	3.62685	2.56	3.224	21.8098	72.215	1.9449	229.515337660262
Cond-009395	NPE777	4-(Benzothiazol-2-ylsulfanyl)-2-benzyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3775190536	C(c1ccccc1)c1nc2c(c3c(CCCC3)s2)c(Sc2nc3ccccc3s2)n1	InChI=1S/C24H19N3S3/c1-2-8-15(9-3-1)14-20-26-22-21(16-10-4-6-12-18(16)28-22)23(27-20)30-24-25-17-11-5-7-13-19(17)29-24/h1-3,5,7-9,11,13H,4,6,10,12,14H2	C24H19N3S3	445.623	3	0	120.45	6	4	1	1.5762	7.43757000000001	3.44	8.15	43.3863	125.068	3.1555	354.537644605302
Cond-009396	NPE778	4-Benzoyl-1-(3-dimethylamino-propyl)-5-(4-fluoro-phenyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.2944750332	OC1=C(C(N(CCCN(C)C)C1=O)c1ccc(F)cc1)C(=O)c1ccccc1	InChI=1S/C22H23FN2O3/c1-24(2)13-6-14-25-19(15-9-11-17(23)12-10-15)18(21(27)22(25)28)20(26)16-7-4-3-5-8-16/h3-5,7-12,19,27H,6,13-14H2,1-2H3	C22H23FN2O3	382.428	5	1	60.85	3	7	1	-0.807200000000001	2.90918	3.22	5.492	54.3893	106.4258	2.889	360.902375428592
Cond-009397	NPE779	4-Benzoylbenzoic acid, succinimidyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8597992766	O=C(ON1C(=O)CCC1=O)c1ccc(cc1)C(=O)c1ccccc1	InChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2	C18H13NO5	323.3	6	0	80.75	3	5	0	-1.0436	1.69459	2.78	3.312	33.1191	86.8895	2.2823	289.598112566973
Cond-009398	NPE78	1-(3,6-dichlorocarbazol-9-yl)-3-[bisbenzylamino]propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7521662958	OC(CN(Cc1ccccc1)Cc1ccccc1)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C29H26Cl2N2O/c30-23-11-13-28-26(15-23)27-16-24(31)12-14-29(27)33(28)20-25(34)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,25,34H,17-20H2	C29H26Cl2N2O	489.436	3	1	28.4	5	8	1	1.0507	6.89079000000001	4.1	9.084	41.8385	141.9978	3.63880000000001	423.426097595097
Cond-009399	NPE780	4-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-piperazinedione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	92.0867374567	COc1ccc(CCN2C(=O)C[NH+](Cc3ccccc3)CC2=O)cc1OC	InChI=1S/C21H24N2O4/c1-26-18-9-8-16(12-19(18)27-2)10-11-23-20(24)14-22(15-21(23)25)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3/p+1	C21H25N2O4+	369.434	6	1	60.28	3	7	0	-2.4306	0.594590000000002	3.11	3.203	50.0148	103.2997	2.8536	350.28374670418
Cond-009400	NPE781	4-Benzyloxymethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	83.4531704479	CC1=C(C#N)C(COCc2ccccc2)C(=C(C)N1)C#N	InChI=1S/C17H17N3O/c1-12-15(8-18)17(16(9-19)13(2)20-12)11-21-10-14-6-4-3-5-7-14/h3-7,17,20H,10-11H2,1-2H3	C17H17N3O	279.336	4	1	68.84	2	4	0	0.0136000000000007	2.59685	2.89	2.971	58.631	79.5717	2.2578	285.027658956795
Cond-009401	NPE782	(4-Benzyl-piperazin-1-yl)-acetic acid [1-(4-nitro-phenyl)-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5102514324	O=N(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1	InChI=1S/C20H23N5O3/c26-20(22-21-14-17-6-8-19(9-7-17)25(27)28)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,22,26)/b21-14+	C20H23N5O3	381.428	8	1	91.08	3	8	0	-0.126299999999999	1.51378	2.78	4.969	52.8015	112.1677	2.8889	353.233127951052
Cond-009402	NPE783	4-(Biphenyl-4-ylcarbamoyl)-3-phenyl-butyric acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6038394415	OC(=O)CC(CC(=O)Nc1ccc(cc1)c1ccccc1)c1ccccc1	InChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)	C23H21NO3	359.418	4	2	66.4	3	8	1	-1.1111	5.82308	3.55	8.626	26.562	110.9305	2.8264	344.961123594385
Cond-009403	NPE784	(4bR,8R)-8,9-Bis-hydroxymethyl-4b,8-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	127.316376849	C[C@@]12CCC[C@@](C)(CO)C1C(CO)c1c2ccc(O)c1	InChI=1S/C17H24O3/c1-16(10-19)6-3-7-17(2)14-5-4-11(20)8-12(14)13(9-18)15(16)17/h4-5,8,13,15,18-20H,3,6-7,9-10H2,1-2H3/t13?,15?,16-,17-/m0/s1	C17H24O3	276.371	3	3	60.69	3	2	0	-1.2841	2.90869	3	3.22	52.5329	80.2386	2.2252	273.080125237418
Cond-009404	NPE785	4-bromo-1,5-dimethyl-N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-1H-pyrazole-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.0358229923	Cn1nc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)c(Br)c1C	InChI=1S/C20H25BrN6O/c1-14-17(21)18(24-25(14)2)19(28)23-20-22-15-8-4-5-9-16(15)27(20)13-12-26-10-6-3-7-11-26/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,22,23,28)/p+1	C20H26BrN6O+	446.364	7	2	69.18	4	6	0	-1.4393	3.66547	2.78	3.064	60.8494	118.0364	3.0452	349.267741786863
Cond-009405	NPE786	4-Butoxy-N-(3-cyano-benzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)-3-methoxy-benzamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4057338143	CCCCOc1ccc(cc1OC)C(=O)Nc1nc2nc3ccccc3n2cc1C#N	InChI=1S/C23H21N5O3/c1-3-4-11-31-19-10-9-15(12-20(19)30-2)22(29)26-21-16(13-24)14-28-18-8-6-5-7-17(18)25-23(28)27-21/h5-10,12,14H,3-4,11H2,1-2H3,(H,25,26,27,29)	C23H21N5O3	415.445	8	1	101.54	4	8	0	-1.3059	5.07057	3.11	4.1	41.9071	120.1582	3.074	363.055247025452
Cond-009406	NPE787	4-Carbamoyl-1-dodecylcarbamoylmethyl-pyridinium; chloride	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	31.5372387121	CCCCCCCCCCCCNC(=O)C[n+]1ccc(cc1)C(=O)N	InChI=1S/C20H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-18(13-16-23)20(21)25/h12-13,15-16H,2-11,14,17H2,1H3,(H2-,21,22,24,25)/p+1	C20H34N3O2+	348.503	5	3	76.07	1	15	2	-5.7324	4.27878000000001	3.11	5.11	59.1719	106.2731	3.0413	369.926362389358
Cond-009407	NPE788	[[(4-chlorophenyl)sulfonyl](4-methylbenzyl)amino]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7100275469	Cc1ccc(CN(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1	InChI=1S/C16H16ClNO4S/c1-12-2-4-13(5-3-12)10-18(11-16(19)20)23(21,22)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,19,20)/p-1	C16H15ClNO4S-	352.813	5	0	85.89	2	6	0	-0.658	1.7171	2.45	3.737	36.475	82.32	2.4438	298.883613895512
Cond-009408	NPE789	4-Cyclohexanecarbonyl-1H-pyrrole-2-carboxylic acid (3-morpholin-4-yl-propyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.3285193428	O=C(NCCCN1CCOCC1)c1cc(c[nH]1)C(=O)C1CCCCC1	InChI=1S/C19H29N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h13-15,21H,1-12H2,(H,20,24)	C19H29N3O3	347.452	6	2	74.43	3	8	0	-2.1758	1.71629	2.89	1.892	73.0494	99.3612000000001	2.7634	338.025916412852
Cond-009409	NPE79	1-(3,6-dichlorocarbazol-9-yl)-3-(butylmethylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	9.9965095986	CCCCN(C)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C20H24Cl2N2O/c1-3-4-9-23(2)12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,25H,3-4,9,12-13H2,1-2H3	C20H24Cl2N2O	379.323	3	1	28.4	3	7	0	0.6167	5.59929000000001	3.11	4.618	54.5449	108.9168	2.8459	330.093905568696
Cond-009410	NPE790	4-cyclohexyl-5-({[3-(2,6-dichlorophenyl)isoxazol-5-yl]methyl}thio)-4H-1,2,4-triazol-3-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	13.0434782609	Oc1nnc(SCc2cc(no2)c2c(Cl)cccc2Cl)n1C1CCCCC1	InChI=1S/C18H18Cl2N4O2S/c19-13-7-4-8-14(20)16(13)15-9-12(26-23-15)10-27-18-22-21-17(25)24(18)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,21,25)	C18H18Cl2N4O2S	425.332	6	1	102.27	4	5	1	-0.000800000000001022	7.01886	2.45	5.189	48.7745	113.428	2.8343	329.801790089857
Cond-009411	NPE791	[4-Ethyl-5-(4-methoxy-phenyl)-4H-1,2,4-triazol-3-ylsulfanyl]-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.3118113968	CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1c1ccc(OC)cc1	InChI=1S/C24H23N5O3S/c1-3-29-23(17-8-11-18(32-2)12-9-17)27-28-24(29)33-15-22(31)26-25-14-20-19-7-5-4-6-16(19)10-13-21(20)30/h4-14,30H,3,15H2,1-2H3,(H,26,31)/b25-14+	C24H23N5O3S	461.536	8	2	126.93	4	9	1	-0.426399999999999	4.49825	3.11	6.606	50.1169	132.4335	3.3784	398.860255708919
Cond-009412	NPE792	4-ethyl-5-[(4-nitrophenyl)methylthio]-3-(phenothiazin-10-ylmethyl)-1,2,4-triazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.0016371272	CCn1c(CN2c3ccccc3Sc3ccccc23)nnc1SCc1ccc(cc1)N(=O)=O	InChI=1S/C24H21N5O2S2/c1-2-27-23(25-26-24(27)32-16-17-11-13-18(14-12-17)29(30)31)15-28-19-7-3-5-9-21(19)33-22-10-6-4-8-20(22)28/h3-14H,2,15-16H2,1H3	C24H21N5O2S2	475.586	7	0	127.69	5	7	1	2.2436	6.30165	3.11	7.485	44.6879	126.75	3.3746	396.222594365158
Cond-009413	NPE793	[4-(heptylsulfanyl)-2,5-dimethoxyphenyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	14.6033059751	CCCCCCCSc1c(OC)cc(CC(=O)O)c(OC)c1	InChI=1S/C17H26O4S/c1-4-5-6-7-8-9-22-16-12-14(20-2)13(11-17(18)19)10-15(16)21-3/h10,12H,4-9,11H2,1-3H3,(H,18,19)	C17H26O4S	326.451	4	1	81.06	1	11	1	-1.0951	4.62729	2.78	4.496	59.3625	93.6118000000001	2.6216	322.455834696379
Cond-009414	NPE794	4-[Hydroxy-(3-methoxy-phenyl)-methylene]-5-(5-methyl-furan-2-yl)-1-pyridin-3-ylmethyl-pyrrolidine-2,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.1985950256	COc1cccc(c1)/C(=C\1/C(N(Cc2cnccc2)C(=O)C1=O)c1ccc(C)o1)/O	InChI=1S/C23H20N2O5/c1-14-8-9-18(30-14)20-19(21(26)16-6-3-7-17(11-16)29-2)22(27)23(28)25(20)13-15-5-4-10-24-12-15/h3-12,20,26H,13H2,1-2H3/b21-19+	C23H20N2O5	404.415	7	1	92.87	4	5	0	-0.994700000000001	2.6845	3.22	3.759	46.269	110.5018	2.935	361.181878502874
Cond-009415	NPE795	4-Hydroxy-3-methyl-6-phenethyl-5,6-dihydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2138789498	CC1=C(O)CC(CCc2ccccc2)OC1=O	InChI=1S/C14H16O3/c1-10-13(15)9-12(17-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-9H2,1H3	C14H16O3	232.275	3	1	46.53	2	3	0	0.2396	2.92678	2.67	4.527	38.1245	67.5618	1.8251	228.275712659017
Cond-009416	NPE796	4-Hydroxy-6-methylpyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	132.961328835	Cc1cc(O)cc(=O)o1	InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3	C6H6O3	126.11	3	1	46.53	1	0	0	0.1674	0.97517	1.79	0.573	33.5195	33.2638	0.8925	118.437211754483
Cond-009417	NPE797	4-Hydroxyquinazoline (4-quinazolinol)	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.6426524765	Oc1ncnc2c1cccc2	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)	C8H6N2O	146.146	3	1	46.01	2	0	0	-0.4603	2.11118	2.01	1.634	2.5646	44.663	1.0619	118.012871919028
Cond-009418	NPE798	[4-(isopentyloxy)phenyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0407614318	CC(C)CCOc1ccc(CC(=O)O)cc1	InChI=1S/C13H18O3/c1-10(2)7-8-16-12-5-3-11(4-6-12)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)	C13H18O3	222.28	3	1	46.53	1	6	0	-0.0626	2.97249	2.56	3.439	35.2792	65.9748	1.8358	225.97264543475
Cond-009419	NPE799	4-methoxy-2-[3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propionate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8980849254	CCC(=O)Oc1ccc(OC)cc1C1Oc2c(nnc(SC)n2)c2ccccc2N1C(=O)CC	InChI=1S/C24H24N4O5S/c1-5-19(29)28-17-10-8-7-9-15(17)21-22(25-24(34-4)27-26-21)33-23(28)16-13-14(31-3)11-12-18(16)32-20(30)6-2/h7-13,23H,5-6H2,1-4H3	C24H24N4O5S	480.536	9	0	129.04	4	8	0	0.065499999999999	5.82137	3	4.872	60.2316	135.888	3.439	418.980407602674
Cond-009420	NPE8	1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1158979162	O=C(C[NH+]1CCc2ccccc2C1)N1c2ccccc2CCc2ccccc12	InChI=1S/C25H24N2O/c28-25(18-26-16-15-19-7-1-2-10-22(19)17-26)27-23-11-5-3-8-20(23)13-14-21-9-4-6-12-24(21)27/h1-12H,13-18H2/p+1	C25H25N2O+	369.479	3	1	24.75	5	3	1	-1.8769	3.51258000000001	3.88	6.933	35.6105	114.8957	2.9379	352.211170302763
Cond-009421	NPE80	1-(3,6-dichlorocarbazol-9-yl)-3-(diethylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	42.0895869692	CCN(CC)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C19H22Cl2N2O/c1-3-22(4-2)11-15(24)12-23-18-7-5-13(20)9-16(18)17-10-14(21)6-8-19(17)23/h5-10,15,24H,3-4,11-12H2,1-2H3	C19H22Cl2N2O	365.297	3	1	28.4	3	6	0	1.7329	5.20919	3	4.114	52.3951	104.2998	2.705	312.797920942829
Cond-009422	NPE800	4-methoxy-6-({4-[(2-methylphenyl)methyl]piperazinyl}methyl)-2H-benzo[d]1,3-dioxolene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	93.0191237668	COc1cc(CN2CCN(Cc3c(C)cccc3)CC2)cc2c1OCO2	InChI=1S/C21H26N2O3/c1-16-5-3-4-6-18(16)14-23-9-7-22(8-10-23)13-17-11-19(24-2)21-20(12-17)25-15-26-21/h3-6,11-12H,7-10,13-15H2,1-2H3	C21H26N2O3	354.443	5	0	34.17	4	5	0	0.3835	2.59151	3.22	3.807	54.3592	100.302	2.7508	333.091749354019
Cond-009423	NPE801	4-methoxy-6-{[4-(2-naphthylmethyl)piperazinyl]methyl}-2H-benzo[d]1,3-dioxolene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	68.9858325151	COc1cc(CN2CCN(Cc3cc4c(cccc4)cc3)CC2)cc2c1OCO2	InChI=1S/C24H26N2O3/c1-27-22-13-19(14-23-24(22)29-17-28-23)16-26-10-8-25(9-11-26)15-18-6-7-20-4-2-3-5-21(20)12-18/h2-7,12-14H,8-11,15-17H2,1H3	C24H26N2O3	390.475	5	0	34.17	5	5	1	-0.258500000000001	3.71669000000001	3.55	5.36	48.8571	114.168	2.9789	356.450327129219
Cond-009424	NPE802	4-methoxy-6-({4-[(3-methoxyphenyl)methyl]piperazinyl}methyl)-2H-benzo[d]1,3-dioxolene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1699630617	COc1cc(C[NH+]2CC[NH+](Cc3cc(OC)c4OCOc4c3)CC2)ccc1	InChI=1S/C21H26N2O4/c1-24-18-5-3-4-16(10-18)13-22-6-8-23(9-7-22)14-17-11-19(25-2)21-20(12-17)26-15-27-21/h3-5,10-12H,6-9,13-15H2,1-2H3/p+2	C21H28N2O4++	372.458	6	2	45.8	4	6	0	-3.2245	0.238680000000004	3.11	2.089	50.3769	103.5224	2.8525	344.51843475538
Cond-009425	NPE803	(4-Methoxy-phenyl)-[(E)-3-phenyl-prop-2-en-(E)-ylidene]-amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0166305498	COc1ccc(cc1)/N=C/C=C/c1ccccc1	InChI=1S/C16H15NO/c1-18-16-11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-13+	C16H15NO	237.296	2	0	21.59	2	4	1	0.2751	3.82588	3	6.25	25.1103	76.375	1.9603	237.474612615395
Cond-009426	NPE804	4-Methyl-N-[4-methyl-5-(4-trifluoromethyl-benzylsulfanyl)-4H-1,2,4-triazol-3-ylmethyl]-benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7079697499	Cn1c(CNS(=O)(=O)c2ccc(C)cc2)nnc1SCc1ccc(cc1)C(F)(F)F	InChI=1S/C19H19F3N4O2S2/c1-13-3-9-16(10-4-13)30(27,28)23-11-17-24-25-18(26(17)2)29-12-14-5-7-15(8-6-14)19(20,21)22/h3-10,23H,11-12H2,1-2H3	C19H19F3N4O2S2	456.505	6	1	110.56	3	8	1	1.5329	4.39679	2.34	5.943	48.8909	102.9107	3.0126	363.107339783377
Cond-009427	NPE805	4-methyl-N-(7-methyl-3-phenyl-1lambda~4~,2,4-benzothiadiazin-1(2H)-ylidene)benzenesulfonamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2594240225	Cc1ccc(cc1)S(=O)(=O)/N=S/1\NC(=Nc2ccc(C)cc12)c1ccccc1	InChI=1S/C21H19N3O2S2/c1-15-8-11-18(12-9-15)28(25,26)24-27-20-14-16(2)10-13-19(20)22-21(23-27)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,23,24)	C21H19N3O2S2	409.524	5	1	98.48	4	3	1	-0.1291	4.38411	3	8.172	30.8444	103.5727	2.9469	350.870496173624
Cond-009428	NPE806	(4-Methyl-piperazin-1-yl)-acetic acid (R)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1442776647	COc1ccc(cc1)C1Sc2c(NC(=O)[C@H]1OC(=O)CN1CCN(C)CC1)cccc2	InChI=1S/C23H27N3O4S/c1-25-11-13-26(14-12-25)15-20(27)30-21-22(16-7-9-17(29-2)10-8-16)31-19-6-4-3-5-18(19)24-23(21)28/h3-10,21-22H,11-15H2,1-2H3,(H,24,28)/t21-,22?/m0/s1	C23H27N3O4S	441.543	7	1	96.41	4	6	0	-0.421300000000001	3.13278	3.11	2.813	70.4667	123.1887	3.2686	400.70681217048
Cond-009429	NPE807	4-methylpiperazinyl 7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl) ketone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2200868389	CN1CCN(CC1)C(=O)c1nn2c(c1)nc1c(CCc3c1cccc3)c2C(F)(F)F	InChI=1S/C21H20F3N5O/c1-27-8-10-28(11-9-27)20(30)16-12-17-25-18-14-5-3-2-4-13(14)6-7-15(18)19(21(22,23)24)29(17)26-16/h2-5,12H,6-11H2,1H3	C21H20F3N5O	415.412	6	0	53.74	5	3	0	0.763200000000001	3.38737	2.78	4.477	53.9484	109.443	2.7913	338.174877025916
Cond-009430	NPE808	4-[N-(2,4-difluorophenyl)carbamoyl]butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.8765900892	OC(=O)CCCC(=O)Nc1ccc(F)cc1F	InChI=1S/C11H11F2NO3/c12-7-4-5-9(8(13)6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)	C11H11F2NO3	243.207	4	2	66.4	1	6	0	-0.1336	2.99218	2.01	1.688	28.4158	59.9605	1.6462	211.876095390996
Cond-009431	NPE809	4-(N-{2-[4-methoxy-3-(phenylmethoxy)phenyl]ethyl}carbamoyl)butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.0196032009	COc1ccc(CCNC(=O)CCCC(=O)[O-])cc1OCc1ccccc1	InChI=1S/C21H25NO5/c1-26-18-11-10-16(12-13-22-20(23)8-5-9-21(24)25)14-19(18)27-15-17-6-3-2-4-7-17/h2-4,6-7,10-11,14H,5,8-9,12-13,15H2,1H3,(H,22,23)(H,24,25)/p-1	C21H24NO5-	370.419	6	1	87.69	2	12	1	-1.6979	1.74749	3.11	3.61	47.2041	101.8267	2.8781	357.797213196574
Cond-009432	NPE81	1-(3,6-dichlorocarbazol-9-yl)-3-(dimethylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	24.6003490401	CN(C)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C17H18Cl2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3	C17H18Cl2N2O	337.244	3	1	28.4	3	4	0	1.2321	4.42899	2.78	3.268	43.8075	95.0658	2.4232	278.205951691095
Cond-009433	NPE810	4-{N-[2-(7-methylindan-4-yloxy)(3-pyridyl)]carbamoyl}-3-phenylbutanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.0257078545	Cc1ccc(Oc2ncccc2NC(=O)CC(CC(=O)O)c2ccccc2)c2c1CCC2	InChI=1S/C26H26N2O4/c1-17-12-13-23(21-10-5-9-20(17)21)32-26-22(11-6-14-27-26)28-24(29)15-19(16-25(30)31)18-7-3-2-4-8-18/h2-4,6-8,11-14,19H,5,9-10,15-16H2,1H3,(H,28,29)(H,30,31)	C26H26N2O4	430.496	6	2	88.52	4	9	1	-0.7864	6.31249000000001	3.66	7.375	46.3256	126.6475	3.299	404.279605679913
Cond-009434	NPE811	4-{N-[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]carbamoyl}butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	79.5450488358	CCOC(=O)c1c(NC(=O)CCCC(=O)O)scc1c1ccccc1	InChI=1S/C18H19NO5S/c1-2-24-18(23)16-13(12-7-4-3-5-8-12)11-25-17(16)19-14(20)9-6-10-15(21)22/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,19,20)(H,21,22)	C18H19NO5S	361.412	6	2	120.94	2	10	0	-0.2408	4.66758	2.67	4.522	50.7465	100.198	2.6404	325.736512726974
Cond-009435	NPE812	4-Octylamino-[1,2]naphthoquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	35.9371727749	CCCCCCCCNC1=CC(=O)C(=O)c2c1cccc2	InChI=1S/C18H23NO2/c1-2-3-4-5-6-9-12-19-16-13-17(20)18(21)15-11-8-7-10-14(15)16/h7-8,10-11,13,19H,2-6,9,12H2,1H3	C18H23NO2	285.381	3	1	46.17	2	8	1	-2.6988	3.79418	3.11	5.517	51.6437	87.3162000000001	2.3868	297.02972596929
Cond-009436	NPE813	[4-Oxo-2-(3-pyrrol-1-yl-phenyl)-4,5-dihydro-thiazol-5-yl]-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.0787007379	OC(=O)CC1SC(=NC1=O)c1cc(ccc1)n1cccc1	InChI=1S/C15H12N2O3S/c18-13(19)9-12-14(20)16-15(21-12)10-4-3-5-11(8-10)17-6-1-2-7-17/h1-8,12H,9H2,(H,18,19)	C15H12N2O3S	300.332	5	1	96.44	3	4	0	-0.4933	2.49638	2.45	2.336	36.7229	85.4448	2.0915	254.908406955617
Cond-009437	NPE814	4-oxo-4-[1-oxo-3-phenyl-11-(3-pyridinyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	85.8061781645	OC(=O)CCC(=O)N1C(c2cnccc2)C2=C(CC(CC2=O)c2ccccc2)Nc2c1cccc2	InChI=1S/C28H25N3O4/c32-24-16-20(18-7-2-1-3-8-18)15-22-27(24)28(19-9-6-14-29-17-19)31(25(33)12-13-26(34)35)23-11-5-4-10-21(23)30-22/h1-11,14,17,20,28,30H,12-13,15-16H2,(H,34,35)	C28H25N3O4	467.516	7	2	99.6	5	6	1	-1.9231	5.19307000000001	3.77	5.363	56.4467	134.4675	3.48600000000001	432.238959037414
Cond-009438	NPE815	4-Oxo-4-(3-oxo-3,4-dihydro-2H-quinoxalin-1-yl)-butyric acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.813532838	[O-]C(=O)CCC(=O)N1CC(=O)Nc2ccccc12	InChI=1S/C12H12N2O4/c15-10-7-14(11(16)5-6-12(17)18)9-4-2-1-3-8(9)13-10/h1-4H,5-7H2,(H,13,15)(H,17,18)/p-1	C12H11N2O4-	247.227	6	1	89.54	2	4	0	-2.3194	0.262779999999999	2.12	-0.219	33.4849	65.3327	1.7371	220.512802472978
Cond-009439	NPE816	4-OXO-N-[(2,3,6,7-TETRAHYDRO-(1H,5H)-BENZO[IJ]QUINOLIZIN-3-YL)AMINO]-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANAMIDE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4965051534	O=C(CCC(=O)N1CCc2ccccc2C1)NC1CCN2CCCc3c2c1ccc3	InChI=1S/C25H29N3O2/c29-23(10-11-24(30)28-15-12-18-5-1-2-6-20(18)17-28)26-22-13-16-27-14-4-8-19-7-3-9-21(22)25(19)27/h1-3,5-7,9,22H,4,8,10-17H2,(H,26,29)	C25H29N3O2	403.517	5	1	52.65	5	6	0	-1.4488	3.50039	3.66	4.222	64.2665	119.6727	3.1609	386.852845262691
Cond-009440	NPE817	4-quinoxalin-2-ylphenyl 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl)acetate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.0725825334	O=C(CN1C(=O)C2C(C3C=CC2C2CC32)C1=O)Oc1ccc(cc1)c1nc2ccccc2nc1	InChI=1S/C27H21N3O4/c31-23(13-30-26(32)24-16-9-10-17(19-11-18(16)19)25(24)27(30)33)34-15-7-5-14(6-8-15)22-12-28-20-3-1-2-4-21(20)29-22/h1-10,12,16-19,24-25H,11,13H2	C27H21N3O4	451.473	7	0	89.46	5	5	0	-1.4912	4.36976000000001	3.66	4.209	58.4153	128.985	3.17090000000001	392.866515710747
Cond-009441	NPE818	(4R,5R,6R)-4-[1,3]Dithiolan-2-yl-5,6-dimethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.150481278	C[C@H]1OC(=O)C[C@@H](C2SCCS2)[C@H]1C	InChI=1S/C10H16O2S2/c1-6-7(2)12-9(11)5-8(6)10-13-3-4-14-10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+/m0/s1	C10H16O2S2	232.363	2	0	76.9	2	1	0	1.1085	2.61409	2.12	2.456	59.6645	64.772	1.7018	208.765430373389
Cond-009442	NPE819	(4R,6R)-4-Hydroxy-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	97.1828856524	[C@@H]1(CCc2ccccc2)C[C@@H](O)CC(=O)O1	InChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m1/s1	C13H16O3	220.264	3	1	46.53	2	3	0	-1.131	1.91959	2.56	3.841	30.8899	63.1268	1.7272	213.61618673395
Cond-009443	NPE82	1-(3,6-dichlorocarbazol-9-yl)-3-(dipropylamino)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	12.2303664921	CCCN(CCC)CC(O)Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2	InChI=1S/C21H26Cl2N2O/c1-3-9-24(10-4-2)13-17(26)14-25-20-7-5-15(22)11-18(20)19-12-16(23)6-8-21(19)25/h5-8,11-12,17,26H,3-4,9-10,13-14H2,1-2H3	C21H26Cl2N2O	393.35	3	1	28.4	3	8	0	0.5773	5.98939000000001	3.22	4.83	59.4591	113.5338	2.9868	347.389890194563
Cond-009444	NPE820	(4R,6S)-4-Hydroxy-6-((E)-styryl)-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9064153606	[C@H]1(C[C@@H](O)CC(=O)O1)/C=C/c1ccccc1	InChI=1S/C13H14O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2/b7-6+/t11-,12-/m1/s1	C13H14O3	218.248	3	1	46.53	2	2	0	-0.4376	1.81748	2.56	3.957	33.4315	62.7778	1.6842	210.97972803315
Cond-009445	NPE821	(4R,7R,8aR)-2,2,7-Trimethyl-4-((E)-styryl)-tetrahydro-pyrano[4,3-d][1,3]dioxin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.4816811974	[C@@H]1(C)C[C@H]2OC(C)(C)O[C@H](/C=C/c3ccccc3)C2C(=O)O1	InChI=1S/C18H22O4/c1-12-11-15-16(17(19)20-12)14(21-18(2,3)22-15)10-9-13-7-5-4-6-8-13/h4-10,12,14-16H,11H2,1-3H3/b10-9+/t12-,14-,15-,16?/m1/s1	C18H22O4	302.365	4	0	44.76	3	2	1	-0.3415	3.22268	3	5.42	56.5721	85.143	2.3388	293.893419162245
Cond-009446	NPE822	(4S,4aR,7R,8aS)-2,2-Dimethyl-4,7-diphenethyl-tetrahydro-pyrano[4,3-d][1,3]dioxin-5-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.7833996875	[C@@H]1(CCc2ccccc2)C[C@@H]2OC(C)(C)O[C@@H](CCc3ccccc3)[C@H]2C(=O)O1	InChI=1S/C25H30O4/c1-25(2)28-21(16-14-19-11-7-4-8-12-19)23-22(29-25)17-20(27-24(23)26)15-13-18-9-5-3-6-10-18/h3-12,20-23H,13-17H2,1-2H3/t20-,21+,22+,23-/m1/s1	C25H30O4	394.503	4	0	44.76	4	6	1	-1.3118	4.93769000000001	3.77	9.138	55.9088	114.581	3.1305	386.435935440914
Cond-009447	NPE823	(4S,5R)-5-(4-Methoxy-phenyl)-4-methyl-3-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	123.033999481	COc1ccc(cc1)[C@@H]1OC(=O)C(CCC2(C)OCCO2)[C@@H]1C	InChI=1S/C18H24O5/c1-12-15(8-9-18(2)21-10-11-22-18)17(19)23-16(12)13-4-6-14(20-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15?,16+/m0/s1	C18H24O5	320.38	5	0	53.99	3	5	0	-0.4507	2.98139	2.89	2.971	57.3876	86.489	2.4405	305.320104563607
Cond-009448	NPE824	(4S,5S)-5-(4-Methoxy-benzyl)-4-methyl-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	98.6141208487	COc1ccc(C[C@@H]2OC(=O)C[C@@H]2C)cc1	InChI=1S/C13H16O3/c1-9-7-13(14)16-12(9)8-10-3-5-11(15-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12-/m0/s1	C13H16O3	220.264	3	0	35.53	2	3	0	0.0372999999999994	2.42319	2.56	2.742	34.9553	63.602	1.7272	213.61618673395
Cond-009449	NPE825	(4S,6R)-4-Hydroxy-6-phenethyl-tetrahydro-pyran-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	129.003373994	[C@@H]1(CCc2ccccc2)C[C@H](O)CC(=O)O1	InChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12+/m0/s1	C13H16O3	220.264	3	1	46.53	2	3	0	-1.131	1.91959	2.56	3.841	30.8899	63.1268	1.7272	213.61618673395
Cond-009450	NPE826	5-({[1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl}acetyl)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	94.9712034705	CN1CCC2C(C1)c1c(ccc(C)c1)N2C(=O)CSc1nnnn1c1cc2c(OCO2)cc1	InChI=1S/C23H24N6O3S/c1-14-3-5-18-16(9-14)17-11-27(2)8-7-19(17)28(18)22(30)12-33-23-24-25-26-29(23)15-4-6-20-21(10-15)32-13-31-20/h3-6,9-10,17,19H,7-8,11-13H2,1-2H3	C23H24N6O3S	464.54	9	0	110.39	6	5	0	-0.399299999999999	3.46987	2.89	3.552	62.8006	125.075	3.2491	386.657489992019
Cond-009451	NPE827	5-(1,3-benzodioxol-5-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.0772644544	Cn1cc(CNC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc3OCOc3c2)c(C)n1	InChI=1S/C21H17F3N6O3/c1-11-13(9-29(2)27-11)8-25-20(31)15-7-19-26-14(6-18(21(22,23)24)30(19)28-15)12-3-4-16-17(5-12)33-10-32-16/h3-7,9H,8,10H2,1-2H3,(H,25,31)	C21H17F3N6O3	458.393	9	1	95.57	5	6	0	0.7404	4.34777	2.45	3.176	43.2856	116.4287	2.9225	350.579173233604
Cond-009452	NPE828	5-(1,3-benzodioxol-5-yl)-N-(2-furylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.8869117303	FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)c1ccc2OCOc2c1	InChI=1S/C20H13F3N4O4/c21-20(22,23)17-7-13(11-3-4-15-16(6-11)31-10-30-15)25-18-8-14(26-27(17)18)19(28)24-9-12-2-1-5-29-12/h1-8H,9-10H2,(H,24,28)	C20H13F3N4O4	430.337	8	1	90.89	5	6	0	0.0313000000000005	4.29496	2.45	3.885	30.5775	108.3697	2.6407	320.079894891965
Cond-009453	NPE829	5-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1908218216	FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCc1cccnc1)c1ccc2OCOc2c1	InChI=1S/C21H14F3N5O3/c22-21(23,24)18-7-15(13-3-4-16-17(6-13)32-11-31-16)28-19-14(10-27-29(18)19)20(30)26-9-12-2-1-5-25-8-12/h1-8,10H,9,11H2,(H,26,30)	C21H14F3N5O3	441.363	8	1	90.64	5	6	0	0.1854	4.17087	2.56	3.494	28.9584	111.7357	2.7797	336.945954324637
Cond-009454	NPE83	1-(3,6-dichlorocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	26.564281559	OC(Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12)C[NH+]1CCOCC1	InChI=1S/C19H20Cl2N2O2/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(24)11-22-5-7-25-8-6-22/h1-4,9-10,15,24H,5-8,11-12H2/p+1	C19H21Cl2N2O2+	380.288	4	2	38.83	4	4	0	-0.537300000000001	2.78249	2.89	2.709	49.984	102.8945	2.6766	310.549918292991
Cond-009455	NPE830	5-[(1,3-Dibenzyl-hexahydro-pyrimidin-5-ylmethyl)-sulfamoyl]-2-methyl-furan-3-carboxylic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9057591623	COC(=O)c1c(C)oc(c1)S(=O)(=O)NCC1C[NH+](Cc2ccccc2)C[NH+](Cc2ccccc2)C1	InChI=1S/C26H31N3O5S/c1-20-24(26(30)33-2)13-25(34-20)35(31,32)27-14-23-17-28(15-21-9-5-3-6-10-21)19-29(18-23)16-22-11-7-4-8-12-22/h3-13,23,27H,14-19H2,1-2H3/p+2	C26H33N3O5S++	499.622	8	3	102.87	4	10	1	-3.7703	-0.573879999999998	3.33	5.295	61.0793	125.5471	3.75	450.484992748642
Cond-009456	NPE831	5-({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2529106467	C[NH+]1CCC2C(C1)c1cc(C)ccc1N2C(=O)CSc1nnnn1c1ccc(Cl)cc1	InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3/p+1	C22H24ClN6OS+	455.984	7	1	93.13	5	5	0	-0.8094	2.47668	2.89	4.45	58.0461	121.0247	3.2433	380.666807786663
Cond-009457	NPE832	{5-[(2,3,4,5,6-pentafluorophenoxy)methyl](2-furyl)}-N-(4-phenyl(1,3-thiazol-2-yl))carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0675779522	Fc1c(F)c(F)c(OCc2ccc(o2)C(=O)Nc2nc(cs2)c2ccccc2)c(F)c1F	InChI=1S/C21H11F5N2O3S/c22-14-15(23)17(25)19(18(26)16(14)24)30-8-11-6-7-13(31-11)20(29)28-21-27-12(9-32-21)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,27,28,29)	C21H11F5N2O3S	466.381	5	1	92.6	4	7	1	2.0577	7.09406	2.56	6.185	27.5479	113.6987	2.7878	346.95627415915
Cond-009458	NPE833	5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.8696302575	Cc1ccc(NC(=O)c2c3nc(cc(n3nc2)C(F)(F)F)c2cc3c(OCCO3)cc2)cc1C	InChI=1S/C24H19F3N4O3/c1-13-3-5-16(9-14(13)2)29-23(32)17-12-28-31-21(24(25,26)27)11-18(30-22(17)31)15-4-6-19-20(10-15)34-8-7-33-19/h3-6,9-12H,7-8H2,1-2H3,(H,29,32)	C24H19F3N4O3	468.428	7	1	77.75	5	5	1	1.4755	6.1363	3	5.667	40.4409	123.8697	3.1026	377.837147994071
Cond-009459	NPE834	5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	54.8106410033	CCc1ccc(NC(=O)c2c3nc(cc(n3nc2)C(F)(F)F)c2cc3c(OCCO3)cc2)cc1	InChI=1S/C24H19F3N4O3/c1-2-14-3-6-16(7-4-14)29-23(32)17-13-28-31-21(24(25,26)27)12-18(30-22(17)31)15-5-8-19-20(11-15)34-10-9-33-19/h3-8,11-13H,2,9-10H2,1H3,(H,29,32)	C24H19F3N4O3	468.428	7	1	77.75	5	6	1	0.4984	6.64266	3	5.913	39.7872	125.9677	3.1026	377.837147994071
Cond-009460	NPE835	5-(2,3-Dihydro-indol-1-yl)-5-oxo-pentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.9156683555	[O-]C(=O)CCCC(=O)N1CCc2ccccc12	InChI=1S/C13H15NO3/c15-12(6-3-7-13(16)17)14-9-8-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9H2,(H,16,17)/p-1	C13H14NO3-	232.255	4	0	60.44	2	5	0	-1.5036	1.25688	2.45	1.479	33.557	65.024	1.7625	220.658258890917
Cond-009461	NPE836	5-[2-(4-1,3-Dithiolan-2-yl-phenoxymethyl)-thiazol-4-ylmethylsulfanyl]-4-pentyl-4H-1,2,4-triazol-3-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.8528214078	CCCCCn1c(O)nnc1SCc1csc(COc2ccc(cc2)C2SCCS2)n1	InChI=1S/C21H26N4O2S4/c1-2-3-4-9-25-20(26)23-24-21(25)31-14-16-13-30-18(22-16)12-27-17-7-5-15(6-8-17)19-28-10-11-29-19/h5-8,13,19H,2-4,9-12,14H2,1H3,(H,23,26)	C21H26N4O2S4	494.717	6	1	177.2	4	11	2	1.1387	6.61416000000001	2.67	6.042	79.6277	133.715	3.5027	406.794680599391
Cond-009462	NPE837	5-(2,4,6-TRIOXO-5-PROPYLHEXAHYDRO-5-PYRIMIDINYL)PENTANOIC ACID	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.3829691318	CCCC1(CCCCC(=O)O)C(=O)NC(=O)NC1=O	InChI=1S/C12H18N2O5/c1-2-6-12(7-4-3-5-8(15)16)9(17)13-11(19)14-10(12)18/h2-7H2,1H3,(H,15,16)(H2,13,14,17,18,19)	C12H18N2O5	270.282	7	3	112.57	1	7	0	-2.1374	0.38189	2.01	0.835	58.5789	67.9802	2.0119	259.150634626339
Cond-009463	NPE838	5-{2-[4-(cyclopentyloxy)benzoyl]hydrazino}-5-oxopentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	97.5331632067	[O-]C(=O)CCCC(=O)NNC(=O)c1ccc(OC2CCCC2)cc1	InChI=1S/C17H22N2O5/c20-15(6-3-7-16(21)22)18-19-17(23)12-8-10-14(11-9-12)24-13-4-1-2-5-13/h8-11,13H,1-7H2,(H,18,20)(H,19,23)(H,21,22)/p-1	C17H21N2O5-	333.359	7	2	107.56	2	10	0	-3.7621	0.923090000000002	2.56	1.763	48.4979	87.0359000000001	2.5003	315.782952302874
Cond-009464	NPE839	5-(2,4-Dichloro-phenoxymethyl)-3-piperidin-1-ylmethyl-3H-[1,3,4]oxadiazole-2-thione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	91.0955002848	Clc1ccc(OCc2nn(C[NH+]3CCCCC3)c(=S)o2)c(Cl)c1	InChI=1S/C15H17Cl2N3O2S/c16-11-4-5-13(12(17)8-11)21-9-14-18-20(15(23)22-14)10-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9-10H2/p+1	C15H18Cl2N3O2S+	375.293	5	1	70.59	3	5	0	-0.296700000000001	3.22988	2.23	3.554	62.7877	97.7937	2.5279	307.66468145689
Cond-009465	NPE84	1-(3,6-Dichloro-carbazol-9-yl)-3-piperazin-1-yl-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	56.8581393694	OC(Cn1c2c(cc(Cl)cc2)c2c1ccc(Cl)c2)CN1CCNCC1	InChI=1S/C19H21Cl2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2	C19H21Cl2N3O	378.296	4	2	40.43	4	4	0	0.6535	3.77259	2.89	2.672	54.5629	105.8215	2.6962	311.438222450196
Cond-009466	NPE840	5-{[2-(4-morpholinyl)ethyl]amino}-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0553139758	O=c1n2nc(NCC[NH+]3CCOCC3)c3ccccc3c2nc2c1c(cs2)c1ccccc1	InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)/p+1	C25H24N5O2S+	458.555	7	2	98.97	6	5	1	-2.0145	2.04358	3.33	5.809	60.0245	134.2064	3.3079	397.507784283825
Cond-009467	NPE841	5-[(2-Diethylamino-ethylamino)-methylene]-3-(4-ethoxy-phenyl)-6-hydroxy-5H-pyrimidine-2,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6523637744	CCOc1ccc(cc1)N1C(=O)N=C(O)/C(=C/NCCN(CC)CC)/C1=O	InChI=1S/C19H26N4O4/c1-4-22(5-2)12-11-20-13-16-17(24)21-19(26)23(18(16)25)14-7-9-15(10-8-14)27-6-3/h7-10,13,20H,4-6,11-12H2,1-3H3,(H,21,24,26)/b16-13-	C19H26N4O4	374.434	8	2	94.47	2	9	0	-0.696499999999999	2.27266	2.67	3.055	76.2137	108.2535	2.9015	362.25998591998
Cond-009468	NPE842	5-[(2-furylmethyl)amino]-11-methyl-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazine-8-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.6745697266	CC1CCc2c(C1)sc1c2c(=O)n2nc(NCc3ccco3)c3ccccc3c2n1	InChI=1S/C23H20N4O2S/c1-13-8-9-17-18(11-13)30-22-19(17)23(28)27-21(25-22)16-7-3-2-6-15(16)20(26-27)24-12-14-5-4-10-29-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,26)	C23H20N4O2S	416.495	6	1	98.44	6	3	1	-0.1148	3.42997	3.22	5.697	59.1814	118.4627	2.9478	353.237284174324
Cond-009469	NPE843	[5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]-N-(3-chloro-2-methylphenyl)carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.9005425797	Cc1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc3OCOc3c2)cccc1Cl	InChI=1S/C22H14ClF3N4O3/c1-11-13(23)3-2-4-14(11)28-21(31)16-9-20-27-15(8-19(22(24,25)26)30(20)29-16)12-5-6-17-18(7-12)33-10-32-17/h2-9H,10H2,1H3,(H,28,31)	C22H14ClF3N4O3	474.82	7	1	77.75	5	5	1	1.5601	6.71918	2.67	5.543	35.3639	120.3727	2.9432	358.456246512771
Cond-009470	NPE844	5-(2-methylbenzimidazolyl)-5-oxopentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.490791722	Cc1nc2ccccc2n1C(=O)CCCC(=O)O	InChI=1S/C13H14N2O3/c1-9-14-10-5-2-3-6-11(10)15(9)12(16)7-4-8-13(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)	C13H14N2O3	246.262	5	1	72.19	2	5	0	-1.0417	3.0584	2.34	1.981	32.5695	71.0773000000001	1.8408	219.436789748684
Cond-009471	NPE845	5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.7628950003	Cc1ccccc1c1nnc(o1)SCC(=O)N1c2ccccc2Sc2ccccc12	InChI=1S/C23H17N3O2S2/c1-15-8-2-3-9-16(15)22-24-25-23(28-22)29-14-21(27)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h2-13H,14H2,1H3	C23H17N3O2S2	431.53	5	0	109.83	5	5	1	0.8325	5.82168	3.22	7.349	34.7117	115.413	3.0341	356.933089322957
Cond-009472	NPE846	5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.8747365956	COc1ccc(cc1OC)c1nc2c(cnn2c(c1)C(F)(F)F)C(=O)NCc1c(C)n(C)nc1C	InChI=1S/C23H23F3N6O3/c1-12-15(13(2)31(3)30-12)10-27-22(33)16-11-28-32-20(23(24,25)26)9-17(29-21(16)32)14-6-7-18(34-4)19(8-14)35-5/h6-9,11H,10H2,1-5H3,(H,27,33)	C23H23F3N6O3	488.462	9	1	95.57	4	8	0	1.379	4.21821	2.67	3.358	56.1776	125.2547	3.3129	397.527601186138
Cond-009473	NPE847	5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6537110747	COc1ccc(cc1OC)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)NCc1cn(C)nc1C	InChI=1S/C22H21F3N6O3/c1-12-14(11-30(2)28-12)10-26-21(32)16-9-20-27-15(8-19(22(23,24)25)31(20)29-16)13-5-6-17(33-3)18(7-13)34-4/h5-9,11H,10H2,1-4H3,(H,26,32)	C22H21F3N6O3	474.436	9	1	95.57	4	8	0	0.939499999999999	4.13548	2.56	3.249	50.4451	121.3487	3.172	380.231616560271
Cond-009474	NPE848	5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.394052915	COc1ccc(cc1OC)c1nc2c(cnn2c(c1)C(F)(F)F)C(=O)NCc1cn(C)nc1C	InChI=1S/C22H21F3N6O3/c1-12-14(11-30(2)29-12)9-26-21(32)15-10-27-31-19(22(23,24)25)8-16(28-20(15)31)13-5-6-17(33-3)18(7-13)34-4/h5-8,10-11H,9H2,1-4H3,(H,26,32)	C22H21F3N6O3	474.436	9	1	95.57	4	8	0	0.939499999999999	4.19019	2.56	2.861	50.4451	121.6147	3.172	380.231616560271
Cond-009475	NPE849	5-(3,4-dimethylphenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.1400693943	Cc1ccc(cc1C)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)NCCc1ccccc1	InChI=1S/C24H21F3N4O/c1-15-8-9-18(12-16(15)2)19-13-21(24(25,26)27)31-22(29-19)14-20(30-31)23(32)28-11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,28,32)	C24H21F3N4O	438.445	5	1	59.29	4	7	1	2.0277	4.92971000000001	3.22	8.931	36.9423	118.3937	3.0938	372.613153293749
Cond-009476	NPE85	1-(3,6-Dichloro-carbazol-9-yl)-3-(trimethyl-lambda(4)-sulfanyl)-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	19.0444623325	CS(C)(C)CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12	InChI=1S/C18H21Cl2NOS/c1-23(2,3)11-14(22)10-21-17-6-4-12(19)8-15(17)16-9-13(20)5-7-18(16)21/h4-9,14,22H,10-11H2,1-3H3	C18H21Cl2NOS	370.336	2	1	25.16	3	4	1	1.3212	5.56139	2.89	5.252	46.6062	106.7418	2.6708	305.650658867196
Cond-009477	NPE850	5-[3,5-bis(trifluoromethyl)phenyl]-3-[(6-chloro-2-fluorophenyl)methylthio]-4H-1,2,4-triazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.1733434593	Fc1cccc(Cl)c1CSc1nnc([nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	InChI=1S/C17H9ClF7N3S/c18-12-2-1-3-13(19)11(12)7-29-15-26-14(27-28-15)8-4-9(16(20,21)22)6-10(5-8)17(23,24)25/h1-6H,7H2,(H,26,27,28)	C17H9ClF7N3S	455.78	3	1	66.87	3	6	1	3.602	4.69298	2.01	7.554	35.163	90.8920000000001	2.5433	320.910436036413
Cond-009478	NPE851	5-[(3-Diethylamino-propylamino)-methylene]-3-(2,5-dimethoxy-phenyl)-6-hydroxy-5H-pyrimidine-2,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.2439719005	CCN(CC)CCCN/C=C\1/C(=O)N(C(=O)N=C1O)c1cc(OC)ccc1OC	InChI=1S/C20H28N4O5/c1-5-23(6-2)11-7-10-21-13-15-18(25)22-20(27)24(19(15)26)16-12-14(28-3)8-9-17(16)29-4/h8-9,12-13,21H,5-7,10-11H2,1-4H3,(H,22,25,27)/b15-13+	C20H28N4O5	404.46	9	2	103.7	2	10	0	-1.2867	2.28126	2.67	2.546	82.1473	114.8055	3.1011	388.346197246408
Cond-009479	NPE852	5-(3H-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-7-YLTHIO)PENTANOIC ACID	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1706883052	OC(=O)CCCCSc1ncnc2c1nn[nH]2	InChI=1S/C9H11N5O2S/c15-6(16)3-1-2-4-17-9-7-8(10-5-11-9)13-14-12-7/h5H,1-4H2,(H,15,16)(H,10,11,12,13,14)	C9H11N5O2S	253.281	7	2	129.95	2	6	0	-0.5992	0.68517	1.57	1.073	33.3974	62.0578	1.7244	195.598387927556
Cond-009480	NPE853	5-(3-Nitro-phenyl)-2-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3411918019	O=N(=O)c1cc(ccc1)c1nc2cc(nn2c(c1)C(F)(F)F)c1ccccc1	InChI=1S/C19H11F3N4O2/c20-19(21,22)17-10-15(13-7-4-8-14(9-13)26(27)28)23-18-11-16(24-25(17)18)12-5-2-1-3-6-12/h1-11H	C19H11F3N4O2	384.311	6	0	73.33	4	4	1	1.7714	6.03198	2.56	7.418	13.2226	101.836	2.448	294.923456864976
Cond-009481	NPE854	5-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.7739094714	O=C(C[NH+]1CC[NH+](Cc2ccc3OCOc3c2)CC1)N1c2ccccc2CCc2ccccc12	InChI=1S/C28H29N3O3/c32-28(31-24-7-3-1-5-22(24)10-11-23-6-2-4-8-25(23)31)19-30-15-13-29(14-16-30)18-21-9-12-26-27(17-21)34-20-33-26/h1-9,12,17H,10-11,13-16,18-20H2/p+2	C28H31N3O3++	457.564	6	2	47.65	6	5	0	-3.8443	2.08447	3.88	4.986	52.7674	134.9394	3.4907	421.638108439253
Cond-009482	NPE855	5-[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]-1H-1,2,4-TRIAZOL-3-AMINE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.8580570099	Nc1n[nH]c(n1)N1CCN(Cc2ccc3OCOc3c2)CC1	InChI=1S/C14H18N6O2/c15-13-16-14(18-17-13)20-5-3-19(4-6-20)8-10-1-2-11-12(7-10)22-9-21-11/h1-2,7H,3-6,8-9H2,(H3,15,16,17,18)	C14H18N6O2	302.332	8	3	92.53	4	3	0	-1.3886	0.927570000000002	2.12	0.671	44.3512	84.6694	2.148	249.853129805856
Cond-009483	NPE856	5-({4-[(3-nitrophenyl)methyl]piperazinyl}methyl)-2H-benzo[d]1,3-dioxolene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.2703979053	O=N(=O)c1cc(C[NH+]2CC[NH+](Cc3ccc4OCOc4c3)CC2)ccc1	InChI=1S/C19H21N3O4/c23-22(24)17-3-1-2-15(10-17)12-20-6-8-21(9-7-20)13-16-4-5-18-19(11-16)26-14-25-18/h1-5,10-11H,6-9,12-14H2/p+2	C19H23N3O4++	357.404	7	2	70.48	4	5	0	-2.4608	0.0497800000000031	2.78	2.864	39.6353	97.9944000000001	2.6275	318.286767011013
Cond-009484	NPE857	5-{[4-(4-cyclohexylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}-5-oxopentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.2120529126	CC(C)OC(=O)c1c(NC(=O)CCCC(=O)O)scc1c1ccc(cc1)C1CCCCC1	InChI=1S/C25H31NO5S/c1-16(2)31-25(30)23-20(15-32-24(23)26-21(27)9-6-10-22(28)29)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h11-17H,3-10H2,1-2H3,(H,26,27)(H,28,29)	C25H31NO5S	457.582	6	2	120.94	3	11	2	-1.2002	7.10378000000001	3.44	7.749	76.3925	130.619	3.5181	434.451946407241
Cond-009485	NPE858	5-{[4-(4-sec-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	12.3212321232	CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1c1ccc(cc1)C(C)CC	InChI=1S/C23H29NO5S/c1-5-14(3)16-10-12-17(13-11-16)20-15(4)30-22(21(20)23(28)29-6-2)24-18(25)8-7-9-19(26)27/h10-14H,5-9H2,1-4H3,(H,24,25)(H,26,27)	C23H29NO5S	431.545	6	2	120.94	2	12	2	0.0953999999999992	5.72140000000001	3.22	6.603	73.8246	119.362	3.3449	412.216435856308
Cond-009486	NPE859	5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentanoic acid heptylamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.3979057592	CCCCCCCNC(=O)CCCCSc1nc(c([nH]1)c1ccccc1)c1ccccc1	InChI=1S/C27H35N3OS/c1-2-3-4-5-13-20-28-24(31)19-12-14-21-32-27-29-25(22-15-8-6-9-16-22)26(30-27)23-17-10-7-11-18-23/h6-11,15-18H,2-5,12-14,19-21H2,1H3,(H,28,31)(H,29,30)	C27H35N3OS	449.651	4	2	83.08	3	15	2	-2.3713	6.77977000000001	3.88	9.68	58.7885	137.9397	3.7217	442.340070572264
Cond-009487	NPE86	1-(3-Aminopropylamino)anthraquinone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.3864024686	NCCCNc1cccc2c1C(=O)c1c(cccc1)C2=O	InChI=1S/C17H16N2O2/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20/h1-3,5-8,19H,4,9-10,18H2	C17H16N2O2	280.321	4	3	72.19	3	4	0	-1.9627	2.19109	2.89	2.594	30.5501	84.9316	2.1511	262.20112544919
Cond-009488	NPE860	[(5-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.6760846816	Nc1nc(SCc2nnc(SCC(=O)O)n2c2ccccc2)nc2c1c1c(CCCC1)s2	InChI=1S/C21H20N6O2S3/c22-18-17-13-8-4-5-9-14(13)32-19(17)24-20(23-18)30-10-15-25-26-21(31-11-16(28)29)27(15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,28,29)(H2,22,23,24)	C21H20N6O2S3	484.617	8	3	198.13	5	7	0	0.3471	3.71464	2.56	4.687	62.1345	121.9232	3.3012	379.113342154924
Cond-009489	NPE861	5-(4-bromophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl) 4-methylpiperazinyl ketone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.8334875555	CN1CCN(CC1)C(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(Br)cc1	InChI=1S/C19H17BrF3N5O/c1-26-6-8-27(9-7-26)18(29)15-11-17-24-14(12-2-4-13(20)5-3-12)10-16(19(21,22)23)28(17)25-15/h2-5,10-11H,6-9H2,1H3	C19H17BrF3N5O	468.27	6	0	53.74	4	4	0	1.5272	4.05127	2.45	4.183	52.8167	109.735	2.7931	335.222985452549
Cond-009490	NPE862	[5-(4-bromophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]-N-(oxolan-2-ylmethyl)carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.2245767645	FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCC1CCCO1)c1ccc(Br)cc1	InChI=1S/C19H16BrF3N4O2/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)27-17(25-14)9-15(26-27)18(28)24-10-13-2-1-7-29-13/h3-6,8-9,13H,1-2,7,10H2,(H,24,28)	C19H16BrF3N4O2	469.255	6	1	68.52	4	6	0	0.607999999999999	4.57247	2.45	4.751	45.6378	107.6417	2.752	333.016451944943
Cond-009491	NPE863	5-(4-Chloro-phenyl)-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9005235602	Clc1ccc(cc1)C1CC(=O)/C(=C\NCCN2CCNCC2)/C(=O)C1	InChI=1S/C19H24ClN3O2/c20-16-3-1-14(2-4-16)15-11-18(24)17(19(25)12-15)13-22-7-10-23-8-5-21-6-9-23/h1-4,13,15,21-22H,5-12H2/b17-13-	C19H24ClN3O2	361.866	5	2	61.44	3	5	0	-1.0266	1.89438	2.89	2.363	74.3202	101.8094	2.7411	339.173840081124
Cond-009492	NPE864	5-(4-Chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0449432969	Cn1cc(CNC(=O)c2nn3C(CC(Nc3c2)c2ccc(Cl)cc2)C(F)(F)F)c(C)n1	InChI=1S/C20H20ClF3N6O/c1-11-13(10-29(2)27-11)9-25-19(31)16-8-18-26-15(12-3-5-14(21)6-4-12)7-17(20(22,23)24)30(18)28-16/h3-6,8,10,15,17,26H,7,9H2,1-2H3,(H,25,31)	C20H20ClF3N6O	452.861	7	2	76.77	4	6	0	0.9782	4.44639	2.45	3.663	54.4365	112.6464	2.9812	359.443179079449
Cond-009493	NPE865	5-[(4-chlorophenyl)methylthio]-4-ethyl-3-(phenothiazin-10-ylmethyl)-1,2,4-triazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	25.3705194375	CCn1c(CN2c3ccccc3Sc3ccccc23)nnc1SCc1ccc(Cl)cc1	InChI=1S/C24H21ClN4S2/c1-2-28-23(26-27-24(28)30-16-17-11-13-18(25)14-12-17)15-29-19-7-3-5-9-21(19)31-22-10-6-4-8-20(22)29/h3-14H,2,15-16H2,1H3	C24H21ClN4S2	465.033	4	0	84.55	5	6	1	2.3278	7.59806	3.33	7.694	46.4135	127.512	3.3228	385.492907227102
Cond-009494	NPE866	5-(4-Methoxy-phenyl)-4-methyl-3-(3-oxo-butyl)-dihydro-furan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	122.930184272	COc1ccc(CC2OC(=O)C(CCC(=O)C)C2C)cc1	InChI=1S/C17H22O4/c1-11(18)4-9-15-12(2)16(21-17(15)19)10-13-5-7-14(20-3)8-6-13/h5-8,12,15-16H,4,9-10H2,1-3H3	C17H22O4	290.354	4	0	52.6	2	6	0	-0.105699999999999	3.01849	2.89	2.775	53.7991	82.39	2.3065	288.953893237179
Cond-009495	NPE867	5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.0402715992	COc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(F)(F)F	InChI=1S/C22H14F6N4O2/c1-34-15-7-5-12(6-8-15)17-10-18(22(26,27)28)32-19(31-17)16(11-29-32)20(33)30-14-4-2-3-13(9-14)21(23,24)25/h2-11H,1H3,(H,30,33)	C22H14F6N4O2	480.363	6	1	68.52	4	7	1	1.5228	6.49457	2.56	6.578	30.5245	114.3147	2.9238	365.014087293496
Cond-009496	NPE868	5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	13.2538831684	Cc1ccc(cc1)c1nnc([nH]1)SCC(=O)N1c2c(Sc3c1cccc3)cccc2	InChI=1S/C23H18N4OS2/c1-15-10-12-16(13-11-15)22-24-23(26-25-22)29-14-21(28)27-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)27/h2-13H,14H2,1H3,(H,24,25,26)	C23H18N4OS2	430.545	5	1	112.48	5	5	1	0.5662	5.02017	3.22	7.153	36.3926	117.664	3.0752	359.139622830563
Cond-009497	NPE869	5-(5-{2-chloro-5-nitrophenyl}-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.01742751	CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(o2)c2cc(ccc2Cl)N(=O)=O)ccc2c1cccc2	InChI=1S/C29H23ClN2O4/c1-29(2)14-20-26-18-6-4-3-5-16(18)7-10-22(26)31-28(27(20)23(33)15-29)25-12-11-24(36-25)19-13-17(32(34)35)8-9-21(19)30/h3-13,28,31H,14-15H2,1-2H3	C29H23ClN2O4	498.957	6	1	85.38	6	3	1	1.9975	7.51447000000001	3.88	8.291	53.8219	147.3857	3.54090000000001	430.492792524747
Cond-009498	NPE87	1-[3-(benzyloxy)-4-methoxybenzyl]-4-[(4-methoxyphenyl)sulfonyl]piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.8497367635	COc1ccc(cc1)S(=O)(=O)N1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1	InChI=1S/C26H30N2O5S/c1-31-23-9-11-24(12-10-23)34(29,30)28-16-14-27(15-17-28)19-22-8-13-25(32-2)26(18-22)33-20-21-6-4-3-5-7-21/h3-13,18H,14-17,19-20H2,1-2H3/p+1	C26H31N2O5S+	483.6	7	1	77.89	4	9	0	-2.5685	2.20709000000001	3.44	4.844	55.6655	124.1057	3.6287	438.170003190075
Cond-009499	NPE870	5-(5-{2-chloro-5-nitrophenyl}-2-furyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.140259608	CC1(C)CC(=O)C2=C(C1)C(Nc1ccc3ccccc3c21)c1ccc(o1)c1cc(ccc1Cl)N(=O)=O	InChI=1S/C29H23ClN2O4/c1-29(2)14-20-27(23(33)15-29)26-18-6-4-3-5-16(18)7-10-22(26)31-28(20)25-12-11-24(36-25)19-13-17(32(34)35)8-9-21(19)30/h3-13,28,31H,14-15H2,1-2H3	C29H23ClN2O4	498.957	6	1	85.38	6	3	1	1.9975	8.11456000000001	3.88	8.08	53.8219	147.6287	3.54090000000001	430.492792524747
Cond-009500	NPE871	5-[5-(2-methoxy-4-nitrophenyl)(2-furyl)]-3,3-dimethyl-2,3,4,5,6-pentahydrobenzo[a]phenanthridin-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2605642157	COc1cc(ccc1c1ccc(o1)C1Nc2c(c3ccccc3cc2)C2=C1CC(C)(C)CC2=O)N(=O)=O	InChI=1S/C30H26N2O5/c1-30(2)15-21-28(23(33)16-30)27-19-7-5-4-6-17(19)8-11-22(27)31-29(21)25-13-12-24(37-25)20-10-9-18(32(34)35)14-26(20)36-3/h4-14,29,31H,15-16H2,1-3H3	C30H26N2O5	494.538	7	1	94.61	6	4	1	1.2014	7.46976000000001	3.99	7.54	55.5221	149.1707	3.6181	441.367936080741
Cond-009501	NPE872	5-{[5-(3-chlorophenyl)(1,3,4-oxadiazol-2-yl)]methylthio}-4-cyclohexyl-1,2,4-triazol-3-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7827985571	Oc1nnc(SCc2nnc(o2)c2cc(Cl)ccc2)n1C1CCCCC1	InChI=1S/C17H18ClN5O2S/c18-12-6-4-5-11(9-12)15-20-19-14(25-15)10-26-17-22-21-16(24)23(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,21,24)	C17H18ClN5O2S	391.875	7	1	115.16	4	5	0	-0.745100000000001	6.23956	2.34	4.676	43.1589	105.091	2.6708	308.291497901724
Cond-009502	NPE873	5-{[5-(4-chlorophenyl)(1,3,4-oxadiazol-2-yl)]methylthio}-4-cyclohexyl-1,2,4-triazol-3-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.0229732295	Oc1nnc(SCc2nnc(o2)c2ccc(Cl)cc2)n1C1CCCCC1	InChI=1S/C17H18ClN5O2S/c18-12-8-6-11(7-9-12)15-20-19-14(25-15)10-26-17-22-21-16(24)23(17)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,21,24)	C17H18ClN5O2S	391.875	7	1	115.16	4	5	0	-0.745100000000001	6.23956	2.34	4.676	43.1589	105.091	2.6708	308.291497901724
Cond-009503	NPE874	5-(5-{4-nitrophenyl}-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.9029488315	CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(o2)c2ccc(cc2)N(=O)=O)ccc2c1cccc2	InChI=1S/C29H24N2O4/c1-29(2)15-21-26-20-6-4-3-5-17(20)9-12-22(26)30-28(27(21)23(32)16-29)25-14-13-24(35-25)18-7-10-19(11-8-18)31(33)34/h3-14,28,30H,15-16H2,1-2H3	C29H24N2O4	464.512	6	1	85.38	6	3	1	1.2532	6.86107000000001	3.99	8.195	48.2063	142.3757	3.41850000000001	415.281724754313
Cond-009504	NPE875	5-{5-nitro-2-furyl}-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.7083794411	Cn1c(=O)[nH]c(=O)c2c1NC1=C(C2c2ccc(o2)N(=O)=O)C(=O)c2ccccc12	InChI=1S/C19H12N4O6/c1-22-17-14(18(25)21-19(22)26)12(10-6-7-11(29-10)23(27)28)13-15(20-17)8-4-2-3-5-9(8)16(13)24/h2-7,12,20H,1H3,(H,21,25,26)	C19H12N4O6	392.322	10	2	134.79	5	2	0	-0.7217	1.63786	2.45	2.339	54.0257	103.2069	2.5211	321.325228415502
Cond-009505	NPE876	5,7-Bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (3-trifluoromethyl-phenyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.119255381	FC(F)(F)c1cccc(NC(=O)c2c3nc(cc(n3nc2)C(F)(F)F)C(F)(F)F)c1	InChI=1S/C16H7F9N4O/c17-14(18,19)7-2-1-3-8(4-7)27-13(30)9-6-26-29-11(16(23,24)25)5-10(15(20,21)22)28-12(9)29/h1-6H,(H,27,30)	C16H7F9N4O	442.239	5	1	59.29	3	6	1	2.6727	5.50298	1.68	6.172	29.6433	85.9327000000001	2.3104	301.816464191853
Cond-009506	NPE877	(5,7-diphenyl(8-hydropyrazolo[1,5-a]pyrimidin-2-yl))-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.7274044981	O=C(Nc1c(C#N)c2c(CCCC2)s1)c1nn2c(c1)nc(cc2c1ccccc1)c1ccccc1	InChI=1S/C28H21N5OS/c29-17-21-20-13-7-8-14-25(20)35-28(21)31-27(34)23-16-26-30-22(18-9-3-1-4-10-18)15-24(33(26)32-23)19-11-5-2-6-12-19/h1-6,9-12,15-16H,7-8,13-14H2,(H,31,34)	C28H21N5OS	475.564	6	1	111.32	6	5	1	-0.2543	6.55856	3.77	7.894	39.472	139.4082	3.4784	406.941447307264
Cond-009507	NPE878	(5,7-diphenyl(8-hydropyrazolo[1,5-a]pyrimidin-2-yl))-N-(methylpropyl)carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.6492624678	CCC(C)NC(=O)c1nn2c(c1)nc(cc2c1ccccc1)c1ccccc1	InChI=1S/C23H22N4O/c1-3-16(2)24-23(28)20-15-22-25-19(17-10-6-4-7-11-17)14-21(27(22)26-20)18-12-8-5-9-13-18/h4-16H,3H2,1-2H3,(H,24,28)	C23H22N4O	370.447	5	1	59.29	4	6	1	-0.8574	5.46717	3.44	7.321	28.4464	117.9497	2.8998	337.114492116963
Cond-009508	NPE879	5,8-dihydroxy-4-[1-(2-naphtyl)ethoxy]-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracenetrione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	14.6201600638	CC(OC1CC(=O)CC2C1C(=O)c1c(O)ccc(O)c1C2=O)c1cc2ccccc2cc1	InChI=1S/C26H22O6/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)32-21-12-17(27)11-18-22(21)26(31)24-20(29)9-8-19(28)23(24)25(18)30/h2-10,13,18,21-22,28-29H,11-12H2,1H3	C26H22O6	430.449	6	2	100.9	5	3	0	-2.1354	3.99899000000001	3.66	3.58	51.8224	119.1331	3.1082	387.510079963902
Cond-009509	NPE88	1,3-Bis-[2-(4-chloro-phenyl)-ethyl]-5-cyano-hexahydro-pyrimidine-5-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	33.5769887982	OC(=O)C1(CN(CCc2ccc(Cl)cc2)CN(CCc2ccc(Cl)cc2)C1)C#N	InChI=1S/C22H23Cl2N3O2/c23-19-5-1-17(2-6-19)9-11-26-14-22(13-25,21(28)29)15-27(16-26)12-10-18-3-7-20(24)8-4-18/h1-8H,9-12,14-16H2,(H,28,29)	C22H23Cl2N3O2	432.343	5	1	67.57	3	7	0	1.5032	4.01449	3.11	4.401	65.0519	115.5248	3.1572	387.463485626758
Cond-009510	NPE880	5-acetyl-1-[4-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)butyl]pyrimidine-2,4(1H,3H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.8444188072	CC(=O)c1cn(CCCCn2cc(C(=O)C)c(=O)[nH]c2=O)c(=O)[nH]c1=O	InChI=1S/C16H18N4O6/c1-9(21)11-7-19(15(25)17-13(11)23)5-3-4-6-20-8-12(10(2)22)14(24)18-16(20)26/h7-8H,3-6H2,1-2H3,(H,17,23,25)(H,18,24,26)	C16H18N4O6	362.337	10	2	132.96	2	7	0	-3.0606	-0.0977299999999999	2.12	-0.512	83.237	89.9544	2.5532	336.216026742701
Cond-009511	NPE881	5-acetyl-3-{[3-(4-methoxyphenyl)-2-methyl(1,2-oxazolidin-5-yl)]methyl}-2,6-dioxo-1,3-dihydropyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0831655017	COc1ccc(cc1)C1CC(Cn2cc(C(=O)C)c(=O)[nH]c2=O)ON1C	InChI=1S/C18H21N3O5/c1-11(22)15-10-21(18(24)19-17(15)23)9-14-8-16(20(2)26-14)12-4-6-13(25-3)7-5-12/h4-7,10,14,16H,8-9H2,1-3H3,(H,19,23,24)	C18H21N3O5	359.376	8	1	88.18	3	5	0	-1.7215	0.803480000000001	2.56	1.104	65.9439	95.2407	2.6109	330.401009085707
Cond-009512	NPE882	5-Amino-4-benzothiazol-2-yl-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-pyrrol-3-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1304347826	NC1=C(C(=O)CN1CCN1CCOCC1)c1nc2ccccc2s1	InChI=1S/C17H20N4O2S/c18-16-15(17-19-12-3-1-2-4-14(12)24-17)13(22)11-21(16)6-5-20-7-9-23-10-8-20/h1-4H,5-11,18H2	C17H20N4O2S	344.431	6	2	99.93	4	4	0	-0.401500000000002	1.59687	2.56	1.488	64.7512	97.7884	2.4916	295.620128623924
Cond-009513	NPE883	(5aS,9aS)-6,6,9a-Trimethyl-3,5,5a,6,7,8,9,9a-octahydro-naphtho[1,2-c]furan-1,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.2117119387	[C@@H]12CC(=O)C3=C(C(=O)OC3)[C@@]1(C)CCCC2(C)C	InChI=1S/C15H20O3/c1-14(2)5-4-6-15(3)11(14)7-10(16)9-8-18-13(17)12(9)15/h11H,4-8H2,1-3H3/t11-,15-/m0/s1	C15H20O3	248.317	3	0	43.37	3	0	0	0.660400000000001	2.80528	2.78	3.135	66.9469	69.811	1.9434	249.388155985684
Cond-009514	NPE884	5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,5-dimethyl-1H-pyrazol-4-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.6841530833	Cn1ncc(CNC(=O)c2nn3C(CC(Nc3c2)c2ccc3OCOc3c2)C(F)(F)F)c1C	InChI=1S/C21H21F3N6O3/c1-11-13(9-26-29(11)2)8-25-20(31)15-7-19-27-14(6-18(21(22,23)24)30(19)28-15)12-3-4-16-17(5-12)33-10-32-16/h3-5,7,9,14,18,27H,6,8,10H2,1-2H3,(H,25,31)	C21H21F3N6O3	462.425	9	2	95.23	5	6	0	-0.0688000000000008	3.56258	2.45	2.606	56.293	114.5134	3.0085	366.752090635205
Cond-009515	NPE885	5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7059236713	FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCC1CCCO1)c1ccc2OCOc2c1	InChI=1S/C20H17F3N4O4/c21-20(22,23)17-7-14(11-3-4-15-16(6-11)31-10-30-15)26-18-13(9-25-27(17)18)19(28)24-8-12-2-1-5-29-12/h3-4,6-7,9,12H,1-2,5,8,10H2,(H,24,28)	C20H17F3N4O4	434.369	8	1	86.98	5	6	0	-0.583500000000001	4.09417	2.45	2.968	44.5108	108.3917	2.7267	336.252812293565
Cond-009516	NPE886	5-benzyl-1,3,4-oxadiazol-2-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	44.9898702932	O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2Sc2ccccc12	InChI=1S/C23H17N3O2S2/c27-22(15-29-23-25-24-21(28-23)14-16-8-2-1-3-9-16)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h1-13H,14-15H2	C23H17N3O2S2	431.53	5	0	109.83	5	6	1	0.2529	5.48146	3.22	7.806	34.075	113.68	3.0341	356.933089322957
Cond-009517	NPE887	(5-Benzylsulfanyl-1,3,4-thiadiazol-2-ylsulfanyl)-acetic acid [1-(2,3-dichloro-phenyl)-meth-(E)-ylidene]-hydrazide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.2177467125	Clc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1Cl	InChI=1S/C18H14Cl2N4OS3/c19-14-8-4-7-13(16(14)20)9-21-22-15(25)11-27-18-24-23-17(28-18)26-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,25)/b21-9+	C18H14Cl2N4OS3	469.431	5	1	146.08	3	9	1	2.4012	5.00996	2.34	6.999	58.8784	118.8297	3.0822	362.476694102896
Cond-009518	NPE888	5-Bromo-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-indole-2,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	51.6785832663	Brc1cc2c(cc1)N(CN1CCc3c(C1)cccc3)C(=O)C2=O	InChI=1S/C18H15BrN2O2/c19-14-5-6-16-15(9-14)17(22)18(23)21(16)11-20-8-7-12-3-1-2-4-13(12)10-20/h1-6,9H,7-8,10-11H2	C18H15BrN2O2	371.228	4	0	40.62	4	2	0	0.2877	3.15018	2.89	4.324	42.3947	94.071	2.3584	286.424270351823
Cond-009519	NPE889	5-Bromo-3-hydroxy-3-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-1-morpholin-4-ylmethyl-1,3-dihydro-indol-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.4040437521	COc1ccc(cc1)C(=O)CC1(O)C(=O)N(CN2CCOCC2)c2c1cc(Br)cc2	InChI=1S/C22H23BrN2O5/c1-29-17-5-2-15(3-6-17)20(26)13-22(28)18-12-16(23)4-7-19(18)25(21(22)27)14-24-8-10-30-11-9-24/h2-7,12,28H,8-11,13-14H2,1H3	C22H23BrN2O5	475.332	7	1	79.31	4	6	0	-0.861	2.76369	3	2.772	65.719	117.6588	3.0981	381.978888956974
Cond-009520	NPE89	1,3-Bis-(4-nitro-benzyloxy)-dibenzo[b,d]pyran-6-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4671320535	O=N(=O)c1ccc(COc2cc3c(c(OCc4ccc(cc4)N(=O)=O)c2)c2ccccc2c(=O)o3)cc1	InChI=1S/C27H18N2O8/c30-27-23-4-2-1-3-22(23)26-24(36-16-18-7-11-20(12-8-18)29(33)34)13-21(14-25(26)37-27)35-15-17-5-9-19(10-6-17)28(31)32/h1-14H,15-16H2	C27H18N2O8	498.44	10	0	131.04	5	8	1	0.9441	5.41718	3.33	7.923	26.7343	139.895	3.39410000000001	422.934203604024
Cond-009521	NPE890	5-chloro-1,3-benzothiazol-2-yl 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.9168812924	Clc1ccc2sc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)nc2c1	InChI=1S/C21H12Cl2N2OS3/c22-12-5-7-17-14(9-12)24-21(29-17)27-11-20(26)25-15-3-1-2-4-18(15)28-19-8-6-13(23)10-16(19)25/h1-10H,11H2	C21H12Cl2N2OS3	475.434	3	0	112.04	5	4	1	2.4238	7.55705	2.89	6.22	46.6152	120.529	3.0451	354.121751461763
Cond-009522	NPE891	5-Chloro-6-oxo-1-(3-trifluoromethyl-benzyl)-1,6-dihydro-pyridine-3-carboxylic acid (2-dimethylamino-ethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.4525887144	CN(C)CCNC(=O)c1cn(Cc2cccc(c2)C(F)(F)F)c(=O)c(Cl)c1	InChI=1S/C18H19ClF3N3O2/c1-24(2)7-6-23-16(26)13-9-15(19)17(27)25(11-13)10-12-4-3-5-14(8-12)18(20,21)22/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,26)	C18H19ClF3N3O2	401.811	5	1	52.65	2	8	0	0.668799999999999	2.13767	2.45	3.382	73.1206	96.7457	2.7189	349.800532006176
Cond-009523	NPE892	5-Chloro-7-(4-methyl-piperazin-1-ylmethyl)-quinolin-8-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	92.1786518185	CN1CCN(Cc2c(O)c3c(cccn3)c(Cl)c2)CC1	InChI=1S/C15H18ClN3O/c1-18-5-7-19(8-6-18)10-11-9-13(16)12-3-2-4-17-14(12)15(11)20/h2-4,9,20H,5-8,10H2,1H3	C15H18ClN3O	291.776	4	1	39.6	3	2	0	0.470700000000001	2.37229	2.56	1.135	43.2339	82.855	2.1618	252.936133577895
Cond-009524	NPE893	5-Hydroxy-3-oxo-octanoic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1044196946	CCCC(O)CC(=O)CC(=O)OC	InChI=1S/C9H16O4/c1-3-4-7(10)5-8(11)6-9(12)13-2/h7,10H,3-6H2,1-2H3	C9H16O4	188.221	4	1	63.6	0	7	0	-1.2184	0.90359	2.01	0.795	44.1172	50.4148	1.5255	194.108309734245
Cond-009525	NPE894	5-Methyl-3-phenyl-isoxazole-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.6611146701	Cc1c(C(=O)NCCc2c[nH]c3ccccc23)c(no1)c1ccccc1	InChI=1S/C21H19N3O2/c1-14-19(20(24-26-14)15-7-3-2-4-8-15)21(25)22-12-11-16-13-23-18-10-6-5-9-17(16)18/h2-10,13,23H,11-12H2,1H3,(H,22,25)	C21H19N3O2	345.394	5	2	70.92	4	6	1	-0.5026	3.7443	3.22	5.366	27.2571	107.7227	2.6199	302.952448058424
Cond-009526	NPE895	5-N,N-dimethyl-diamino-propyl-8,9-dimethyl-10-thia-6,6a,11-triaza-cyclopenta[b]phenanthren-7-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.9012029326	CC1CCc2c(C1)sc1c2c(=O)n2nc(NCCCN(C)C)c3c(cccc3)c2n1	InChI=1S/C23H27N5OS/c1-14-9-10-17-18(13-14)30-22-19(17)23(29)28-21(25-22)16-8-5-4-7-15(16)20(26-28)24-11-6-12-27(2)3/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,24,26)	C23H27N5OS	421.558	6	1	88.54	5	5	1	-0.0192999999999974	2.94717	3.22	5.026	79.4775	122.4157	3.1835	383.97319378433
Cond-009527	NPE896	5-oxo-1-xanthen-9-ylpyrrolidine-2-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9154316019	[O-]C(=O)C1CCC(=O)N1C1c2ccccc2Oc2ccccc12	InChI=1S/C18H15NO4/c20-16-10-9-13(18(21)22)19(16)17-11-5-1-3-7-14(11)23-15-8-4-2-6-12(15)17/h1-8,13,17H,9-10H2,(H,21,22)/p-1	C18H14NO4-	308.308	5	0	69.67	4	2	0	-2.1672	1.64649	2.89	2.935	28.1836	83.197	2.1795	272.406115216812
Cond-009528	NPE897	5-Oxo-5-(1-trifluoromethyl-1,3,4,9-tetrahydro-pyrido[3,4-b]indol-2-yl)-pentanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.8425541997	OC(=O)CCCC(=O)N1CCc2c([nH]c3c2cccc3)C1C(F)(F)F	InChI=1S/C17H17F3N2O3/c18-17(19,20)16-15-11(10-4-1-2-5-12(10)21-15)8-9-22(16)13(23)6-3-7-14(24)25/h1-2,4-5,16,21H,3,6-9H2,(H,24,25)	C17H17F3N2O3	354.324	5	2	73.4	3	6	0	-0.198500000000001	3.22698	2.45	3.193	48.9673	87.9368000000001	2.3489	294.46694610227
Cond-009529	NPE898	5-phenyl-2-({[2-(4-propionyl-1-piperazinyl)ethyl]amino}methylene)-1,3-cyclohexanedione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.4866312619	CCC(=O)N1CC[NH+](CCN/C=C\2/C(=O)CC(CC2=O)c2ccccc2)CC1	InChI=1S/C22H29N3O3/c1-2-22(28)25-12-10-24(11-13-25)9-8-23-16-19-20(26)14-18(15-21(19)27)17-6-4-3-5-7-17/h3-7,16,18,23H,2,8-15H2,1H3/p+1/b19-16-	C22H30N3O3+	384.492	6	2	70.92	3	7	0	-3.3563	0.472880000000002	3.22	3.444	80.396	109.9244	3.0786	383.322723538452
Cond-009530	NPE899	5-phenyl-2-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3811210389	NC(=O)c1c(NC(=O)CSc2ncnc3c2c2c(CCCC2)s3)sc(c1)c1ccccc1	InChI=1S/C23H20N4O2S3/c24-20(29)15-10-17(13-6-2-1-3-7-13)32-21(15)27-18(28)11-30-22-19-14-8-4-5-9-16(14)31-23(19)26-12-25-22/h1-3,6-7,10,12H,4-5,8-9,11H2,(H2,24,29)(H,27,28)	C23H20N4O2S3	480.625	6	3	179.75	5	7	0	0.0424	4.98337	3	4.869	57.9659	132.2821	3.3404	389.075332289524
Cond-009531	NPE9	1-(10H,11H-dibenzo[b,f]azepin-5-yl)-2-(6-aminobenzothiazol-2-ylthio)ethan-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.491453992	Nc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc34)sc2c1	InChI=1S/C23H19N3OS2/c24-17-11-12-18-21(13-17)29-23(25-18)28-14-22(27)26-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)26/h1-8,11-13H,9-10,14,24H2	C23H19N3OS2	417.546	4	2	112.76	5	4	1	-0.2805	6.03336	3.33	5.881	41.5434	122.5544	3.0184	350.779321323196
Cond-009532	NPE90	1,3-bisbenzyl-5,7-diazatricyclo[3.3.1.1<3,7>]decan-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.235423388	O=C1C2(Cc3ccccc3)C[NH+]3C[NH+](C2)CC1(Cc1ccccc1)C3	InChI=1S/C22H24N2O/c25-20-21(11-18-7-3-1-4-8-18)13-23-15-22(20,16-24(14-21)17-23)12-19-9-5-2-6-10-19/h1-10H,11-17H2/p+2	C22H26N2O++	334.455	3	2	25.95	2	4	1	-2.9269	0.0156900000000024	3.55	5.834	42.8717	99.6684	2.6657	320.450821877963
Cond-009533	NPE900	5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.0688363381	Cn1nc(C)c(CNC(=O)c2c3nc(cc(n3nc2)C(F)(F)F)c2ccccc2)c1C	InChI=1S/C21H19F3N6O/c1-12-15(13(2)29(3)28-12)10-25-20(31)16-11-26-30-18(21(22,23)24)9-17(27-19(16)30)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3,(H,25,31)	C21H19F3N6O	428.41	7	1	77.11	4	6	0	1.4826	4.20101	2.67	4.879	41.546	112.1507	2.9137	345.355178533282
Cond-009534	NPE901	5-Phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(2-methyl-benzyl)-1H-pyrazol-3-yl]-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1886687004	Cc1c(Cn2ccc(NC(=O)c3nn4c(c3)nc(cc4C(F)(F)F)c3ccccc3)n2)cccc1	InChI=1S/C25H19F3N6O/c1-16-7-5-6-10-18(16)15-33-12-11-22(32-33)30-24(35)20-14-23-29-19(17-8-3-2-4-9-17)13-21(25(26,27)28)34(23)31-20/h2-14H,15H2,1H3,(H,30,32,35)	C25H19F3N6O	476.453	7	1	77.11	5	7	1	1.1433	6.29868000000001	3.11	8.061	29.8864	128.5277	3.23970000000001	383.373282233549
Cond-009535	NPE902	6-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0136692825	Cn1c2nc3[n+](Cc4ccc5OCOc5c4)c(c[n+]3c2c(=O)n(C)c1=O)c1ccccc1	InChI=1S/C23H19N5O4/c1-25-20-19(21(29)26(2)23(25)30)28-12-16(15-6-4-3-5-7-15)27(22(28)24-20)11-14-8-9-17-18(10-14)32-13-31-17/h3-10,12H,11,13H2,1-2H3/q+2	C23H19N5O4++	429.428	9	0	71.44	6	2	1	-3.6203	2.24686	3	7.044	58.989	126.963	2.9155	NA
Cond-009536	NPE903	6-(1,3-Dioxo-1H,3H-benz[de]isoquinolin-2-yl)-hexanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	90.8707499111	[O-]C(=O)CCCCCn1c(=O)c2cccc3cccc(c1=O)c23	InChI=1S/C18H17NO4/c20-15(21)10-2-1-3-11-19-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(19)23/h4-9H,1-3,10-11H2,(H,20,21)/p-1	C18H16NO4-	310.324	5	0	77.51	3	6	0	-2.4935	1.97999	2.89	3.372	35.3207	86.033	2.2881	284.762573917612
Cond-009537	NPE904	6-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.9645142525	[O-]C(=O)CCCCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O	InChI=1S/C24H23NO4/c26-18(27)12-2-1-7-13-25-23(28)21-19-14-8-3-4-9-15(14)20(22(21)24(25)29)17-11-6-5-10-16(17)19/h3-6,8-11,19-22H,1-2,7,12-13H2,(H,26,27)/p-1	C24H22NO4-	388.436	5	0	77.51	3	6	1	-2.7859	2.38939	3.55	5.549	50.0125	105.134	2.8733	361.189105570413
Cond-009538	NPE905	6-[(1E)-2-(5-nitro(2-furyl))vinyl]-3-ethylthio-6H,7H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	17.7470524173	CCSc1nc2c(nn1)c1c(NC(O2)/C=C/c2ccc(o2)N(=O)=O)cccc1	InChI=1S/C18H15N5O4S/c1-2-28-18-20-17-16(21-22-18)12-5-3-4-6-13(12)19-14(27-17)9-7-11-8-10-15(26-11)23(24)25/h3-10,14,19H,2H2,1H3/b9-7+	C18H15N5O4S	397.408	9	1	141.51	4	5	0	1.4748	5.11425	2.34	4.869	41.7083	112.1657	2.6777	320.047492055879
Cond-009539	NPE906	6-(1H-Benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-trifluoromethyl-quinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.8568935428	CCCCOc1cc(nc2ccc(CSc3nc4ccccc4[nH]3)cc12)C(F)(F)F	InChI=1S/C22H20F3N3OS/c1-2-3-10-29-19-12-20(22(23,24)25)26-16-9-8-14(11-15(16)19)13-30-21-27-17-6-4-5-7-18(17)28-21/h4-9,11-12H,2-3,10,13H2,1H3,(H,27,28)	C22H20F3N3OS	431.474	4	1	76.1	4	8	1	0.6127	5.68207000000001	3	7.116	40.2935	109.435	2.9617	350.806365293049
Cond-009540	NPE907	{[6-(1-naphthoylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6990260002	OC(=O)CSc1nc2c(s1)cc(NC(=O)c1cccc3c1cccc3)cc2	InChI=1S/C20H14N2O3S2/c23-18(24)11-26-20-22-16-9-8-13(10-17(16)27-20)21-19(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,21,25)(H,23,24)	C20H14N2O3S2	394.467	5	2	132.83	4	6	1	0.1048	4.95067	2.89	5.877	34.8098	109.817	2.7219	317.831519339351
Cond-009541	NPE908	6-({2-[2-(3,4-dimethylphenoxy)propanoyl]hydrazino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2096536937	CC(Oc1ccc(C)c(C)c1)C(=O)NNC(=O)C1CC(=C(C)CC1C(=O)O)C	InChI=1S/C21H28N2O5/c1-11-6-7-16(8-12(11)2)28-15(5)19(24)22-23-20(25)17-9-13(3)14(4)10-18(17)21(26)27/h6-8,15,17-18H,9-10H2,1-5H3,(H,22,24)(H,23,25)(H,26,27)	C21H28N2O5	388.457	7	3	104.73	2	8	0	1.2283	2.76541	3	3.147	79.5821	107.3552	3.0424	383.648661455941
Cond-009542	NPE909	6-[2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-pyrimidin-5-yl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	85.9605094938	Cc1nn2c(c1)ncc(c1cnc(SCCS(=O)(=O)c3ccc(Cl)cc3)nc1)c2C	InChI=1S/C20H18ClN5O2S2/c1-13-9-19-22-12-18(14(2)26(19)25-13)15-10-23-20(24-11-15)29-7-8-30(27,28)17-5-3-16(21)4-6-17/h3-6,9-12H,7-8H2,1-2H3	C20H18ClN5O2S2	459.972	7	0	123.79	4	6	0	1.8251	4.78211	2.56	3.817	45.8381	111.409	3.128	359.879099734524
Cond-009543	NPE91	1,3-Bis-morpholin-4-ylmethyl-1,3-dihydro-benzimidazole-2-thione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.3536940081	S=c1n(CN2CCOCC2)c2c(cccc2)n1CN1CCOCC1	InChI=1S/C17H24N4O2S/c24-17-20(13-18-5-9-22-10-6-18)15-3-1-2-4-16(15)21(17)14-19-7-11-23-12-8-19/h1-4H,5-14H2	C17H24N4O2S	348.463	6	0	63.51	4	4	0	0.0934000000000013	1.70439	2.56	2.539	73.1331	98.94	2.5776	311.793046025524
Cond-009544	NPE910	6-{[2-(3-chlorobenzoyl)hydrazino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.2528220337	CC1=C(C)CC(C(C1)C(=O)[O-])C(=O)NNC(=O)c1cccc(Cl)c1	InChI=1S/C17H19ClN2O4/c1-9-6-13(14(17(23)24)7-10(9)2)16(22)20-19-15(21)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1	C17H18ClN2O4-	349.789	6	2	98.33	2	6	0	0.270699999999999	1.37358	2.56	1.678	61.0751	89.6289	2.521	319.567334671946
Cond-009545	NPE911	6-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-1,3,5,6,7,8-hexahydro-6,8-diazaquinazoline-2,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.4806302571	COc1ccc(OCCN2CNc3c(C2)c(=O)n(C)c(=O)n3C)cc1	InChI=1S/C17H22N4O4/c1-19-15-14(16(22)20(2)17(19)23)10-21(11-18-15)8-9-25-13-6-4-12(24-3)5-7-13/h4-7,18H,8-11H2,1-3H3	C17H22N4O4	346.381	8	1	74.35	3	5	0	-0.8379	1.33297	2.45	0.878	66.9202	96.0537	2.5541	317.948016668246
Cond-009546	NPE912	6-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-7-acetyl-3-prop-2-enylthio-6H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.5313322311	CC(=O)N1C(Oc2c(nnc(SCC=C)n2)c2ccccc12)c1ccc2OCOc2c1	InChI=1S/C22H18N4O4S/c1-3-10-31-22-23-20-19(24-25-22)15-6-4-5-7-16(15)26(13(2)27)21(30-20)14-8-9-17-18(11-14)29-12-28-17/h3-9,11,21H,1,10,12H2,2H3	C22H18N4O4S	434.468	8	0	111.97	5	5	0	0.3602	5.28995	2.89	4.422	47.7875	121.883	2.9899	363.24175294958
Cond-009547	NPE913	6-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-7-acetyl-3-propylthio-6H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.7595650048	CCCSc1nc2c(nn1)c1ccccc1N(C(O2)c1ccc2OCOc2c1)C(=O)C	InChI=1S/C22H20N4O4S/c1-3-10-31-22-23-20-19(24-25-22)15-6-4-5-7-16(15)26(13(2)27)21(30-20)14-8-9-17-18(11-14)29-12-28-17/h4-9,11,21H,3,10,12H2,1-2H3	C22H20N4O4S	436.484	8	0	111.97	5	5	0	-0.583999999999999	5.58776	2.89	4.788	46.4506	122.247	3.0329	365.87821165038
Cond-009548	NPE914	6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethylthio)pyridine-3-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.3463392242	COc1ccc(cc1)c1c(C#N)c(SCC(=O)N2CCOCC2)nc(c1)c1cc(C)c(C)cc1	InChI=1S/C27H27N3O3S/c1-18-4-5-21(14-19(18)2)25-15-23(20-6-8-22(32-3)9-7-20)24(16-28)27(29-25)34-17-26(31)30-10-12-33-13-11-30/h4-9,14-15H,10-13,17H2,1-3H3	C27H27N3O3S	473.587	6	0	100.75	4	7	1	0.913200000000001	4.87102000000001	3.66	5.508	64.7835	136.106	3.6015	439.654689170186
Cond-009549	NPE915	6-(3-Imidazol-1-yl-propyl)-1,3-dimethyl-5,6,7,8-tetrahydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0464399953	Cn1c(=O)n(C)c2c(CN(CCCn3ccnc3)CN2)c1=O	InChI=1S/C14H20N6O2/c1-17-12-11(13(21)18(2)14(17)22)8-20(10-16-12)6-3-5-19-7-4-15-9-19/h4,7,9,16H,3,5-6,8,10H2,1-2H3	C14H20N6O2	304.348	8	1	73.71	3	4	0	-0.9068	0.0313799999999998	2.12	-0.542	63.7949	82.3477	2.2566	273.109588506657
Cond-009550	NPE916	6-({[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7400084769	Cc1c(nc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)s1)c1c(C)cc(C)cc1	InChI=1S/C22H26N2O3S/c1-11-6-7-16(14(4)8-11)19-15(5)28-22(23-19)24-20(25)17-9-12(2)13(3)10-18(17)21(26)27/h6-8,17-18H,9-10H2,1-5H3,(H,26,27)(H,23,24,25)	C22H26N2O3S	398.518	5	2	107.53	3	5	0	3.1531	5.06063000000001	3.22	4.571	74.826	111.5485	3.0778	375.980299336686
Cond-009551	NPE917	6-({[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	82.8248678526	Cc1c(nc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)s1)c1cc(C)ccc1C	InChI=1S/C22H26N2O3S/c1-11-6-7-12(2)16(8-11)19-15(5)28-22(23-19)24-20(25)17-9-13(3)14(4)10-18(17)21(26)27/h6-8,17-18H,9-10H2,1-5H3,(H,26,27)(H,23,24,25)	C22H26N2O3S	398.518	5	2	107.53	3	5	0	3.1531	5.06063000000001	3.22	4.571	74.826	111.5485	3.0778	375.980299336686
Cond-009552	NPE918	6-({[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	81.9018487215	Cc1c(nc(NC(=O)C2CC=CCC2C(=O)O)s1)c1cc(C)c(C)cc1	InChI=1S/C20H22N2O3S/c1-11-8-9-14(10-12(11)2)17-13(3)26-20(21-17)22-18(23)15-6-4-5-7-16(15)19(24)25/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,24,25)(H,21,22,23)	C20H22N2O3S	370.465	5	2	107.53	3	5	0	1.7427	4.22572	3	4.447	66.4836	102.0485	2.796	341.388330084952
Cond-009553	NPE919	6-{[4-(3-bromobenzyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl methyl ether	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.188655451	COc1c2OCOc2cc(CN2CCN(Cc3cccc(Br)c3)CC2)c1	InChI=1S/C20H23BrN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-7-5-22(6-8-23)12-15-3-2-4-17(21)9-15/h2-4,9-11H,5-8,12-14H2,1H3	C20H23BrN2O3	419.312	5	0	34.17	4	5	0	0.630299999999999	3.32599	3	3.285	57.4562	104.362	2.7849	335.079383705719
Cond-009554	NPE92	1,3-Bis-thiophen-2-ylmethyl-hexahydro-pyrimidine-5-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6525293212	N#CC1CN(Cc2cccs2)CN(Cc2cccs2)C1	InChI=1S/C15H17N3S2/c16-7-13-8-17(10-14-3-1-5-19-14)12-18(9-13)11-15-4-2-6-20-15/h1-6,13H,8-12H2	C15H17N3S2	303.446	3	0	86.75	3	4	0	1.1495	1.63649	2.56	2.56	54.2859	77.07	2.2647	263.316428521301
Cond-009555	NPE920	6-({[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.286718692	CCCCc1ccc(cc1)c1csc(NC(=O)C2CC=CCC2C(=O)O)n1	InChI=1S/C21H24N2O3S/c1-2-3-6-14-9-11-15(12-10-14)18-13-27-21(22-18)23-19(24)16-7-4-5-8-17(16)20(25)26/h4-5,9-13,16-17H,2-3,6-8H2,1H3,(H,25,26)(H,22,23,24)	C21H24N2O3S	384.492	5	2	107.53	3	8	1	-0.4431	5.97196000000001	3.11	5.719	66.3342	112.9225	2.9369	358.684314710819
Cond-009556	NPE921	6-({[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.6828891271	CCCCc1ccc(cc1)c1c(C)sc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)n1	InChI=1S/C24H30N2O3S/c1-5-6-7-17-8-10-18(11-9-17)21-16(4)30-24(25-21)26-22(27)19-12-14(2)15(3)13-20(19)23(28)29/h8-11,19-20H,5-7,12-13H2,1-4H3,(H,28,29)(H,25,26,27)	C24H30N2O3S	426.572	5	2	107.53	3	8	1	1.4068	6.29248000000001	3.44	5.955	80.4091	122.6145	3.3596	410.572268588419
Cond-009557	NPE922	6-({[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	82.578013899	CCCCc1ccc(cc1)c1c(C)sc(NC(=O)C2CC=CCC2C(=O)O)n1	InChI=1S/C22H26N2O3S/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)28-22(23-19)24-20(25)17-8-5-6-9-18(17)21(26)27/h5-6,10-13,17-18H,3-4,7-9H2,1-2H3,(H,26,27)(H,23,24,25)	C22H26N2O3S	398.518	5	2	107.53	3	8	1	-0.00360000000000138	5.51228000000001	3.22	5.831	72.0667	113.3805	3.0778	375.980299336686
Cond-009558	NPE923	6-({[4-(4-isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	73.9166599587	CC(C)Cc1ccc(cc1)c1c(C)sc(NC(=O)C2CC=CCC2C(=O)O)n1	InChI=1S/C22H26N2O3S/c1-13(2)12-15-8-10-16(11-9-15)19-14(3)28-22(23-19)24-20(25)17-6-4-5-7-18(17)21(26)27/h4-5,8-11,13,17-18H,6-7,12H2,1-3H3,(H,26,27)(H,23,24,25)	C22H26N2O3S	398.518	5	2	107.53	3	7	1	1.3528	5.36818000000001	3.22	5.77	74.5018	113.3105	3.0778	375.980299336686
Cond-009559	NPE924	6-({[4-(4-isopropylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	83.9612057144	CC(C)c1ccc(cc1)c1c(C)sc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)n1	InChI=1S/C23H28N2O3S/c1-12(2)16-6-8-17(9-7-16)20-15(5)29-23(24-20)25-21(26)18-10-13(3)14(4)11-19(18)22(27)28/h6-9,12,18-19H,10-11H2,1-5H3,(H,27,28)(H,24,25,26)	C23H28N2O3S	412.545	5	2	107.53	3	6	1	2.442	6.07328000000001	3.33	5.325	78.0896	118.0915	3.2187	393.276283962552
Cond-009560	NPE925	6-(4-Ethoxy-phenyl)-4-phenyl-2-(2-piperidin-1-yl-ethylsulfanyl)-nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	23.0127763752	CCOc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(SCCN2CCCCC2)n1	InChI=1S/C27H29N3OS/c1-2-31-23-13-11-22(12-14-23)26-19-24(21-9-5-3-6-10-21)25(20-28)27(29-26)32-18-17-30-15-7-4-8-16-30/h3,5-6,9-14,19H,2,4,7-8,15-18H2,1H3	C27H29N3OS	443.604	4	0	74.45	4	8	1	0.0195000000000012	6.83218000000001	3.88	7.71	56.0833	136.335	3.5271	424.710694469864
Cond-009561	NPE926	6-(4-methoxyphenyl)-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4-phenylnicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	66.5391579323	COc1ccc(cc1)c1nc(SCC(=O)N2CCOCC2)c(C#N)c(c1)c1ccccc1	InChI=1S/C25H23N3O3S/c1-30-20-9-7-19(8-10-20)23-15-21(18-5-3-2-4-6-18)22(16-26)25(27-23)32-17-24(29)28-11-13-31-14-12-28/h2-10,15H,11-14,17H2,1H3	C25H23N3O3S	445.533	6	0	100.75	4	7	1	-0.370799999999999	4.81498000000001	3.44	5.284	53.7793	128.826	3.3197	405.062719918452
Cond-009562	NPE927	6-(4-methylphenyl)-4-phenyl-2-{[2-(1-piperidinyl)ethyl]sulfanyl}nicotinonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	62.6016882156	Cc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(SCCN2CCCCC2)n1	InChI=1S/C26H27N3S/c1-20-10-12-22(13-11-20)25-18-23(21-8-4-2-5-9-21)24(19-27)26(28-25)30-17-16-29-14-6-3-7-15-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3	C26H27N3S	413.578	3	0	65.22	4	6	1	0.462900000000001	6.46150000000001	3.88	8.687	49.9758	128.806	3.3275	398.624483143436
Cond-009563	NPE928	6-[5-[1-(4-Fluoro-benzyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-hexanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5307542971	OC(=O)CCCCCN1C(=S)S/C(=C/2\C(=O)N(Cc3ccc(F)cc3)c3ccccc23)/C1=O	InChI=1S/C24H21FN2O4S2/c25-16-11-9-15(10-12-16)14-27-18-7-4-3-6-17(18)20(22(27)30)21-23(31)26(24(32)33-21)13-5-1-2-8-19(28)29/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,28,29)/b21-20-	C24H21FN2O4S2	484.563	6	1	135.31	4	8	0	-0.125700000000001	4.82767	3.11	4.36	74.8364	130.8068	3.3619	423.673243393686
Cond-009564	NPE929	6-[5-(3-nitrophenyl)(2-furyl)]-3-prop-2-enylthio-6H,7H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	70.7656286584	O=N(=O)c1cccc(c1)c1ccc(o1)C1Nc2ccccc2c2c(O1)nc(SCC=C)nn2	InChI=1S/C23H17N5O4S/c1-2-12-33-23-25-22-20(26-27-23)16-8-3-4-9-17(16)24-21(32-22)19-11-10-18(31-19)14-6-5-7-15(13-14)28(29)30/h2-11,13,21,24H,1,12H2	C23H17N5O4S	459.477	9	1	141.51	5	6	1	1.3734	6.47756	2.89	6.198	36.2586	133.2077	3.1446	375.361580382013
Cond-009565	NPE93	1-(3-bromo-4-methoxy-benzyl)-4-(4-methyl-benzyl)-piperazine -oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	96.1705709076	COc1ccc(C[NH+]2CC[NH+](Cc3ccc(C)cc3)CC2)cc1Br	InChI=1S/C20H25BrN2O/c1-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)15-18-7-8-20(24-2)19(21)13-18/h3-8,13H,9-12,14-15H2,1-2H3/p+2	C20H27BrN2O++	391.345	3	2	18.11	3	5	0	-1.3392	0.791110000000002	3.22	4.884	49.6902	100.1264	2.8191	332.491847706196
Cond-009566	NPE930	6-[5-(5-bromo-2-oxo-1-prop-2-enylbenzo[d]azolin-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.7465315593	OC(=O)CCCCCN1C(=S)S/C(=C/2\C(=O)N(CC=C)c3ccc(Br)cc23)/C1=O	InChI=1S/C20H19BrN2O4S2/c1-2-9-22-14-8-7-12(21)11-13(14)16(18(22)26)17-19(27)23(20(28)29-17)10-5-3-4-6-15(24)25/h2,7-8,11H,1,3-6,9-10H2,(H,24,25)/b17-16-	C20H19BrN2O4S2	495.41	6	1	135.31	3	8	0	0.990899999999999	4.70256	2.67	2.964	92.7102	123.9528	3.1502	396.23474111988
Cond-009567	NPE931	6-[5-(6-Chloro-benzothiazol-2-ylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-quinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	67.5275441298	Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1c1cc2cccnc2cc1	InChI=1S/C19H12ClN5S2/c1-25-17(12-4-6-14-11(9-12)3-2-8-21-14)23-24-18(25)27-19-22-15-7-5-13(20)10-16(15)26-19/h2-10H,1H3	C19H12ClN5S2	409.915	5	0	110.03	5	3	0	2.041	6.54685	2.67	4.998	29.7973	111.193	2.7181	299.109744305935
Cond-009568	NPE932	6-(5-bromo(2-furyl))-3-propylthio-6H,7H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	87.1458674783	CCCSc1nc2c(nn1)c1ccccc1NC(O2)c1ccc(Br)o1	InChI=1S/C17H15BrN4O2S/c1-2-9-25-17-20-16-14(21-22-17)10-5-3-4-6-11(10)19-15(24-16)12-7-8-13(18)23-12/h3-8,15,19H,2,9H2,1H3	C17H15BrN4O2S	419.296	6	1	98.37	4	4	1	0.5143	5.99787	2.45	5.147	39.9505	104.5377	2.5806	298.73083019989
Cond-009569	NPE933	6,6-Dimethyl-4-oxo-3-[2-(toluene-4-sulfonyl)-ethylsulfanyl]-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	11.718440954	Cc1ccc(cc1)S(=O)(=O)CCSc1c2c(CC(C)(C)CC2=O)c(s1)C#N	InChI=1S/C20H21NO3S3/c1-13-4-6-14(7-5-13)27(23,24)9-8-25-19-18-15(17(12-21)26-19)10-20(2,3)11-16(18)22/h4-7H,8-11H2,1-3H3	C20H21NO3S3	419.581	4	0	136.92	3	5	0	2.5973	4.949	2.89	4.611	73.4746	105.5395	3.0232	367.409617991985
Cond-009570	NPE934	6-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-cyclohex-3-enecarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.7846488944	Oc1ccc2c(oc3cc(=O)ccc3c2C2CC=CCC2C(=O)[O-])c1	InChI=1S/C20H16O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-2,5-10,13-14,21H,3-4H2,(H,23,24)/p-1	C20H15O5-	335.33	5	1	86.66	4	2	0	-1.0302	2.22384	3.11	1.649	69.4082	91.6778	2.3772	313.05509226014
Cond-009571	NPE935	(6,7-dimethoxyquinazolin-4-yl)(3-morpholin-4-ylpropyl)amine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	101.125459069	COc1cc2c(cc1OC)c(NCCCN1CCOCC1)ncn2	InChI=1S/C17H24N4O3/c1-22-15-10-13-14(11-16(15)23-2)19-12-20-17(13)18-4-3-5-21-6-8-24-9-7-21/h10-12H,3-9H2,1-2H3,(H,18,19,20)	C17H24N4O3	332.397	7	1	68.74	3	7	0	-0.8833	2.59158	2.56	0.669	53.6335	95.0897000000001	2.5384	300.894248668485
Cond-009572	NPE936	6,8-bis(trifluoromethyl)-1-(3-chlorophenyl)-10-hydropyridino[2,3-b]1,2,4-triazolo[4,3-e]pyridine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	14.5111158564	FC(F)(F)c1cc(c2ccc3nnc(n3c2n1)c1cc(Cl)ccc1)C(F)(F)F	InChI=1S/C17H7ClF6N4/c18-9-3-1-2-8(6-9)14-27-26-13-5-4-10-11(16(19,20)21)7-12(17(22,23)24)25-15(10)28(13)14/h1-7H	C17H7ClF6N4	416.708	4	0	43.08	4	3	1	2.9537	5.86679	2.12	7.178	21.3828	90.414	2.3103	281.437695935073
Cond-009573	NPE937	6,8-bis(trifluoromethyl)-2-phenyl-10-hydroimidazo[1,2-e]pyridino[2,3-b]pyridine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	68.3797186039	FC(F)(F)c1cc(c2ccc3nc(cn3c2n1)c1ccccc1)C(F)(F)F	InChI=1S/C18H9F6N3/c19-17(20,21)12-8-14(18(22,23)24)26-16-11(12)6-7-15-25-13(9-27(15)16)10-4-2-1-3-5-10/h1-9H	C18H9F6N3	381.275	3	0	30.19	4	3	1	2.2094	5.81839	2.45	7.681	15.7672	87.6090000000001	2.229	272.525852582339
Cond-009574	NPE938	6-amino-2-propyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-5,5,7(1H)-isoquinolinetricarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.9368775457	CCCN1CC=C2C(C1)C(c1cscc1)C(=C(N)C2(C#N)C#N)C#N	InChI=1S/C19H19N5S/c1-2-5-24-6-3-16-15(9-24)17(13-4-7-25-10-13)14(8-20)18(23)19(16,11-21)12-22/h3-4,7,10,15,17H,2,5-6,9,23H2,1H3	C19H19N5S	349.453	5	2	128.87	3	3	0	-0.823700000000001	2.80203	2.89	0.867000000000001	83.1286	96.8274	2.6924	336.339028580302
Cond-009575	NPE939	6-amino-5-cyano-2-(3-cyano-6-methyl-5,6,7,8-tetrahydro-[1,6]naphthyridine-2-ylsulfanylmethyl)-4-(2-fluoro-phenyl)-4H-pyran-3-carboylic acid methyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.9704282721	COC(=O)C1=C(CSc2nc3c(CN(C)CC3)cc2C#N)OC(=C(C#N)C1c1ccccc1F)N	InChI=1S/C25H22FN5O3S/c1-31-8-7-19-15(12-31)9-14(10-27)24(30-19)35-13-20-22(25(32)33-2)21(17(11-28)23(29)34-20)16-5-3-4-6-18(16)26/h3-6,9,21H,7-8,12-13,29H2,1-2H3	C25H22FN5O3S	491.537	8	2	150.56	4	6	0	0.2821	3.09164	3.11	2.701	83.7487	127.0714	3.494	441.387340484292
Cond-009576	NPE94	1-(3-bromo-9H-carbazole-9-yl)-3-{4-[3-(3-chloro-9H-carbazole-9-yl)-2-hydroxypropyl]piperazino}-2-propanol oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	30.52174532	[O-]C(=O)C(=O)[O-].OC(Cn1c2c(cccc2)c2c1ccc(Cl)c2)CN1CCN(CC(O)Cn2c3c(cccc3)c3c2ccc(Br)c3)CC1	InChI=1S/C34H34BrClN4O2.C2H2O4/c35-23-9-11-33-29(17-23)27-5-1-3-7-31(27)39(33)21-25(41)19-37-13-15-38(16-14-37)20-26(42)22-40-32-8-4-2-6-28(32)30-18-24(36)10-12-34(30)40;3-1(4)2(5)6/h1-12,17-18,25-26,41-42H,13-16,19-22H2;(H,3,4)(H,5,6)/p-2	C36H34BrClN4O6--	734.035	6	2	56.8	7	8	1	0.757299999999999	7.16828000000001	4.32	6.684	75.4293	178.5736	4.437	509.149401646858
Cond-009577	NPE940	6-Benzyloxy-3-butylaminomethyl-1-benzopyran-4-one; compound with GENERIC INORGANIC NEUTRAL COMPONENT	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	55.7812681792	CCCCNCc1coc2ccc(OCc3ccccc3)cc2c1=O	InChI=1S/C21H23NO3/c1-2-3-11-22-13-17-15-25-20-10-9-18(12-19(20)21(17)23)24-14-16-7-5-4-6-8-16/h4-10,12,15,22H,2-3,11,13-14H2,1H3	C21H23NO3	337.412	4	1	47.56	3	8	1	-1.7311	3.66938	3.33	5.817	46.0829	100.0307	2.6736	329.178530445052
Cond-009578	NPE941	6-(Bis-benzotriazol-1-ylmethyl-amino)-hexan-1-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.0180073451	OCCCCCCN(Cn1nnc2ccccc12)Cn1nnc2ccccc12	InChI=1S/C20H25N7O/c28-14-8-2-1-7-13-25(15-26-19-11-5-3-9-17(19)21-23-26)16-27-20-12-6-4-10-18(20)22-24-27/h3-6,9-12,28H,1-2,7-8,13-16H2	C20H25N7O	379.459	8	1	84.89	4	10	0	-1.5385	3.69708000000001	2.78	3.706	40.7972	110.4998	2.9055	326.126194966263
Cond-009579	NPE942	(6-Butyl-5,8-dioxo-2-phenyl-5,6,7,8-tetrahydro-1,4,6,8a-tetraaza-s-indacen-4-yl)-acetic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.165179419	CCCCN1Cc2c(n(CC(=O)OCC)c3cc(nn3c2=O)c2ccccc2)C1=O	InChI=1S/C22H24N4O4/c1-3-5-11-24-13-16-20(22(24)29)25(14-19(27)30-4-2)18-12-17(23-26(18)21(16)28)15-9-7-6-8-10-15/h6-10,12H,3-5,11,13-14H2,1-2H3	C22H24N4O4	408.45	8	0	84.74	4	8	0	-1.8727	3.20537	3	4.575	68.1977	115.0635	3.021	373.26210499438
Cond-009580	NPE943	6-Hydroxydopamine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.936851167	NCCc1c(O)cc(O)c(O)c1	InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2	C8H11NO3	169.178	4	5	86.71	1	2	0	-1.8636	1.04578	1.9	-0.393	21.0799	49.0332	1.2741	153.125941214383
Cond-009581	NPE944	6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid (3-morpholin-4-yl-propyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.5380672109	COc1cc2c(oc(=O)c(c2)C(=O)NCCC[NH+]2CCOCC2)cc1	InChI=1S/C18H22N2O5/c1-23-14-3-4-16-13(11-14)12-15(18(22)25-16)17(21)19-5-2-6-20-7-9-24-10-8-20/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)/p+1	C18H23N2O5+	347.386	7	2	78.3	3	7	0	-2.3219	-0.0290299999999992	2.67	1.455	62.9514	94.8574	2.5756	323.35893692874
Cond-009582	NPE945	6-Methyl-8-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0498129646	Cc1nn2cnnc2c(OCc2nnc(o2)c2cc3c(cccc3)cc2)c1	InChI=1S/C19H14N6O2/c1-12-8-16(18-22-20-11-25(18)24-12)26-10-17-21-23-19(27-17)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,11H,10H2,1H3	C19H14N6O2	358.353	8	0	91.23	5	4	1	0.1561	4.3736	2.67	5.631	16.5809	100.818	2.4859	275.457842029591
Cond-009583	NPE946	6-methyl-pyrazino[2',3':4,5]pyrrolo[1,2-a]benzimidazole-2,3,5-tricarbonitrile	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4086028922	C[N+]1=C2C(=c3nc(C#N)c(nc3=[N+]2c2c1cccc2)C#N)C#N	InChI=1S/C16H7N7/c1-22-12-4-2-3-5-13(12)23-15-14(9(6-17)16(22)23)20-10(7-18)11(8-19)21-15/h2-5H,1H3/q+2	C16H7N7++	297.274	7	0	100.16	4	0	0	-3.5982	0.67292	2.45	2.44	43.8833	85.771	2.0467	NA
Cond-009584	NPE947	7-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.4963708733	Cn1c2c(n(CCOC3c4ccccc4CCc4ccccc34)cn2)c(=O)n(C)c1=O	InChI=1S/C24H24N4O3/c1-26-22-20(23(29)27(2)24(26)30)28(15-25-22)13-14-31-21-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)21/h3-10,15,21H,11-14H2,1-2H3	C24H24N4O3	416.472	7	0	67.67	5	4	1	-0.589899999999998	3.44548	3.33	5.344	53.3477	118.564	3.0925	373.170930143952
Cond-009585	NPE948	7-[3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)-propyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	64.041208148	Cn1c2c(n(CCCOC3c4ccccc4CCc4ccccc34)cn2)c(=O)n(C)c1=O	InChI=1S/C25H26N4O3/c1-27-23-21(24(30)28(2)25(27)31)29(16-26-23)14-7-15-32-22-19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)22/h3-6,8-11,16,22H,7,12-15H2,1-2H3	C25H26N4O3	430.499	7	0	67.67	5	5	1	-0.877899999999999	3.83558	3.44	5.702	56.2593	123.181	3.2334	390.466914769819
Cond-009586	NPE949	7-[3-(4-Bromo-phenoxy)-2-hydroxy-propyl]-3-methyl-8-(4-methyl-piperazin-1-yl)-3,7-dihydro-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.6428148324	CN1CCN(CC1)c1nc2c(n1CC(O)COc1ccc(Br)cc1)c(=O)[nH]c(=O)n2C	InChI=1S/C20H25BrN6O4/c1-24-7-9-26(10-8-24)19-22-17-16(18(29)23-20(30)25(17)2)27(19)11-14(28)12-31-15-5-3-13(21)4-6-15/h3-6,14,28H,7-12H2,1-2H3,(H,23,29,30)	C20H25BrN6O4	493.354	10	2	103.17	4	6	0	-0.2134	2.94355	2.45	0.874	79.4254	126.4345	3.1998	385.220192538147
Cond-009587	NPE95	1-(3-bromo-9H-carbazole-9-yl)-3-{4-[3-(9H-carbazole-9-yl)-2-hydroxypropyl]piperazino}-2-propanol oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	11.9201841175	[O-]C(=O)C(=O)[O-].OC(Cn1c2c(cccc2)c2c1cccc2)CN1CCN(CC(O)Cn2c3c(cccc3)c3c2ccc(Br)c3)CC1	InChI=1S/C34H35BrN4O2.C2H2O4/c35-24-13-14-34-30(19-24)29-9-3-6-12-33(29)39(34)23-26(41)21-37-17-15-36(16-18-37)20-25(40)22-38-31-10-4-1-7-27(31)28-8-2-5-11-32(28)38;3-1(4)2(5)6/h1-14,19,25-26,40-41H,15-18,20-23H2;(H,3,4)(H,5,6)/p-2	C36H35BrN4O6--	699.59	6	2	56.8	7	8	1	0.012999999999999	6.51488000000001	4.43	6.799	69.8137	173.5636	4.3146	493.938333876425
Cond-009588	NPE950	7-[3-(dimethylamino)propaoxy]dibenzo[b,f]thiepin-10(11H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.5041847851	CN(C)CCCOc1cc2c(cc1)C(=O)Cc1c(S2)cccc1	InChI=1S/C19H21NO2S/c1-20(2)10-5-11-22-15-8-9-16-17(21)12-14-6-3-4-7-18(14)23-19(16)13-15/h3-4,6-9,13H,5,10-12H2,1-2H3	C19H21NO2S	327.441	3	0	54.84	3	5	0	0.1605	3.30858	3.11	3.804	45.9352	92.3810000000001	2.5396	306.941817251157
Cond-009589	NPE951	7-(4-Chloro-benzyl)-8-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	103.740269603	Cn1c2c(n(Cc3ccc(Cl)cc3)c(CN3CCN(CCO)CC3)n2)c(=O)n(C)c1=O	InChI=1S/C21H27ClN6O3/c1-24-19-18(20(30)25(2)21(24)31)28(13-15-3-5-16(22)6-4-15)17(23-19)14-27-9-7-26(8-10-27)11-12-29/h3-6,29H,7-14H2,1-2H3	C21H27ClN6O3	446.93	9	1	85.15	4	6	0	-0.130199999999999	1.69759	2.67	0.642	80.8493	121.3348	3.2294	389.653399256319
Cond-009590	NPE952	7-(4-Fluoro-phenyl)-2-((E)-3-phenyl-allylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.5677719604	Fc1ccc(cc1)c1ccnc2nc(SC/C=C/c3ccccc3)nn12	InChI=1S/C20H15FN4S/c21-17-10-8-16(9-11-17)18-12-13-22-19-23-20(24-25(18)19)26-14-4-7-15-5-2-1-3-6-15/h1-13H,14H2/b7-4+	C20H15FN4S	362.423	4	0	68.38	4	5	1	1.5629	5.07306	3	7.367	26.5948	106.415	2.5996	301.012894446708
Cond-009591	NPE953	7-(4-Methoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	89.5766090754	COc1ccc(cc1)S(=O)(=O)Nc1c2[nH]c(cc2ccc1)C(=O)NCC[NH+]1CCOCC1	InChI=1S/C22H26N4O5S/c1-30-17-5-7-18(8-6-17)32(28,29)25-19-4-2-3-16-15-20(24-21(16)19)22(27)23-9-10-26-11-13-31-14-12-26/h2-8,15,24-25H,9-14H2,1H3,(H,23,27)/p+1	C22H27N4O5S+	459.539	9	4	122.34	4	9	0	-3.5719	1.22267	2.78	1.31	59.0912	120.2101	3.3077	393.616043803741
Cond-009592	NPE954	7-[5-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yloxy]-isoquinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	103.153249342	CN1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccc3ccncc3c2)nc1	InChI=1S/C19H20N4O3S/c1-22-8-10-23(11-9-22)27(24,25)18-4-5-19(21-14-18)26-17-3-2-15-6-7-20-13-16(15)12-17/h2-7,12-14H,8-11H2,1H3	C19H20N4O3S	384.452	7	0	84.01	4	4	0	-0.9287	3.77807	2.67	1.78	40.2042	101.108	2.7461	322.829407174618
Cond-009593	NPE955	7,8-dihydroxyflavone	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.0460715755	Oc1c(O)c2c(cc1)c(=O)cc(o2)c1ccccc1	InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H	C15H10O4	254.238	4	2	66.76	3	1	0	-1.4242	3.00047	2.67	3.592	21.6655	73.1696	1.7871	223.196089182245
Cond-009594	NPE956	7-acetyl-6-(1,3-benzodioxol-5-yl)-10-bromo-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	80.693046125	CSc1nc2c(nn1)c1cc(Br)ccc1N(C(O2)c1ccc2OCOc2c1)C(=O)C	InChI=1S/C20H15BrN4O4S/c1-10(26)25-14-5-4-12(21)8-13(14)17-18(22-20(30-2)24-23-17)29-19(25)11-3-6-15-16(7-11)28-9-27-15/h3-8,19H,9H2,1-2H3	C20H15BrN4O4S	487.326	8	0	111.97	5	3	0	0.6322	5.57006	2.56	4.295	47.2239	120.713	2.9261	350.569861376213
Cond-009595	NPE957	7-acetyl-6-(1-acetyl-3-phenylpyrazol-4-yl)-3-ethylthio-6H-benzo[d]1,2,4-triazino[6,5-f]1,3-oxazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.5938336865	CCSc1nc2c(nn1)c1ccccc1N(C(O2)c1cn(nc1c1ccccc1)C(=O)C)C(=O)C	InChI=1S/C25H22N6O3S/c1-4-35-25-26-23-22(27-28-25)18-12-8-9-13-20(18)31(16(3)33)24(34-23)19-14-30(15(2)32)29-21(19)17-10-6-5-7-11-17/h5-14,24H,4H2,1-3H3	C25H22N6O3S	486.546	9	0	128.4	5	6	1	-0.3284	5.65356000000001	3.11	5.765	48.3124	140.308	3.4675	412.160083141352
Cond-009596	NPE958	7-Benzyloxygramine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	78.3525298231	CN(C)Cc1c[nH]c2c1cccc2OCc1ccccc1	InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-16(15)9-6-10-17(18)21-13-14-7-4-3-5-8-14/h3-11,19H,12-13H2,1-2H3	C18H20N2O	280.364	3	1	28.26	3	5	0	-0.3335	3.14839	3.11	4.245	28.6349	87.4450000000001	2.2763	262.443342075295
Cond-009597	NPE959	7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzo-diazepin-2-One	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.7679453869	CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1	InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	C16H12Cl2N2O	319.185	3	0	32.67	3	1	0	0.6487	4.56818	2.67	3.315	35.5345	90.487	2.1963	266.537049663628
Cond-009598	NPE96	1-(3-Bromo-carbazol-9-yl)-3-{4-[3-(3-bromo-carbazol-9-yl)-2-hydroxy-propyl]-piperazin-1-yl}-propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.4696656721	OC(Cn1c2ccccc2c2c1ccc(Br)c2)CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3c2cccc3)CC1	InChI=1S/C34H34Br2N4O2/c35-23-9-11-33-29(17-23)27-5-1-3-7-31(27)39(33)21-25(41)19-37-13-15-38(16-14-37)20-26(42)22-40-32-8-4-2-6-28(32)30-18-24(36)10-12-34(30)40/h1-12,17-18,25-26,41-42H,13-16,19-22H2	C34H34Br2N4O2	690.467	6	2	56.8	7	8	1	0.901799999999999	7.27738000000001	4.32	7.022	78.4128	181.2636	4.4896	513.221952853991
Cond-009599	NPE960	[7-(difluoromethyl)-5-(4-methoxyphenyl)(8-hydropyrazolo[1,5-a]pyrimidin-3-yl)]-N-[(1,5-dimethylpyrazol-4-yl)methyl]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	77.9172391309	COc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)F)C(=O)NCc1c(C)n(C)nc1	InChI=1S/C21H20F2N6O2/c1-12-14(10-25-28(12)2)9-24-21(30)16-11-26-29-18(19(22)23)8-17(27-20(16)29)13-4-6-15(31-3)7-5-13/h4-8,10-11,19H,9H2,1-3H3,(H,24,30)	C21H20F2N6O2	426.419	8	1	86.34	4	7	0	0.497	3.64049	2.67	2.789	42.2396	113.7107	2.9547	348.077846383537
Cond-009600	NPE961	[7-(difluoromethyl)-5-(4-methoxyphenyl)(8-hydropyrazolo[1,5-a]pyrimidin-3-yl)]-N-cyclooctylcarboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	63.2466292527	COc1ccc(cc1)c1nc2c(cnn2c(c1)C(F)F)C(=O)NC1CCCCCCC1	InChI=1S/C23H26F2N4O2/c1-31-17-11-9-15(10-12-17)19-13-20(21(24)25)29-22(28-19)18(14-26-29)23(30)27-16-7-5-3-2-4-6-8-16/h9-14,16,21H,2-8H2,1H3,(H,27,30)	C23H26F2N4O2	428.475	6	1	68.52	4	6	1	-2.136	5.72598000000001	3.11	5.582	46.9793	118.9807	3.1229	376.849212620537
Cond-009601	NPE962	[7-(difluoromethyl)-5-(4-methylphenyl)(8-hydropyrazolo[1,5-a]pyrimidin-3-yl)]-N-[2-(3,4-dimethoxyphenyl)ethyl]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	60.9086463452	COc1ccc(CCNC(=O)c2c3nc(cc(C(F)F)n3nc2)c2ccc(C)cc2)cc1OC	InChI=1S/C25H24F2N4O3/c1-15-4-7-17(8-5-15)19-13-20(23(26)27)31-24(30-19)18(14-29-31)25(32)28-11-10-16-6-9-21(33-2)22(12-16)34-3/h4-9,12-14,23H,10-11H2,1-3H3,(H,28,32)	C25H24F2N4O3	466.48	7	1	77.75	4	9	1	0.7878	4.8924	3.22	5.761	45.1821	128.0787	3.3344	401.422032470432
Cond-009602	NPE963	7-(difluoromethyl)-5-phenyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]pyrazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	51.8071725815	CC12CC(CC(C)(C)C1)N(C2)C(=O)c1c2nc(cc(C(F)F)n2nc1)c1ccccc1	InChI=1S/C24H26F2N4O/c1-23(2)10-16-11-24(3,13-23)14-29(16)22(31)17-12-27-30-19(20(25)26)9-18(28-21(17)30)15-7-5-4-6-8-15/h4-9,12,16,20H,10-11,13-14H2,1-3H3	C24H26F2N4O	424.486	5	0	50.5	5	4	1	1.7108	5.91548000000001	3.33	6.625	60.0736	119.419	3.0965	372.998511845043
Cond-009603	NPE964	7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (3-cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.2343713416	CC1CCc2c(C1)sc(NC(=O)c1c3nc(cc(C(F)F)n3nc1)c1ccccc1)c2C#N	InChI=1S/C24H19F2N5OS/c1-13-7-8-15-16(11-27)24(33-20(15)9-13)30-23(32)17-12-28-31-19(21(25)26)10-18(29-22(17)31)14-5-3-2-4-6-14/h2-6,10,12-13,21H,7-9H2,1H3,(H,30,32)	C24H19F2N5OS	463.502	6	1	111.32	5	5	1	1.1213	5.74037000000001	3.11	6.015	52.5944	122.0802	3.1878	381.058461307609
Cond-009604	NPE965	7-Methoxy-1,2,3,9,10,10a-hexahydro-phenanthrene-1,2-dicarboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	86.1698850847	COc1ccc2c(CCC3C(C(CC=C23)C(=O)[O-])C(=O)[O-])c1	InChI=1S/C17H18O5/c1-22-10-3-5-11-9(8-10)2-4-13-12(11)6-7-14(16(18)19)15(13)17(20)21/h3,5-6,8,13-15H,2,4,7H2,1H3,(H,18,19)(H,20,21)/p-2	C17H16O5--	300.306	5	0	89.49	3	3	0	-1.5581	-1.20832	2.78	1.414	51.296	76.574	2.1706	280.114743835339
Cond-009605	NPE966	7-oxo-5,7,9,10-tetrahydrospiro(6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane)-10-carboxylic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.158308514	OC(=O)C1Cn2c(S1)nc1c(c2=O)C2(CCCC2)Cc2c1cccc2	InChI=1S/C19H18N2O3S/c22-16-14-15(20-18-21(16)10-13(25-18)17(23)24)12-6-2-1-5-11(12)9-19(14)7-3-4-8-19/h1-2,5-6,13H,3-4,7-10H2,(H,23,24)	C19H18N2O3S	354.423	5	1	95.27	5	1	0	-0.415800000000002	2.86127	2.89	3.77	67.8907	99.1258	2.4809	312.915886758285
Cond-009606	NPE967	[7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)]-N-[3-(trifluoromethyl)phenyl]carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.9105325664	FC(F)(F)c1cccc(NC(=O)c2nn3c(c2)nc2c(CCc4c2cccc4)c3C(F)(F)F)c1	InChI=1S/C23H14F6N4O/c24-22(25,26)13-5-3-6-14(10-13)30-21(34)17-11-18-31-19-15-7-2-1-4-12(15)8-9-16(19)20(23(27,28)29)33(18)32-17/h1-7,10-11H,8-9H2,(H,30,34)	C23H14F6N4O	476.374	5	1	59.29	5	5	1	1.6994	6.52986000000001	2.78	8.138	32.9395	114.9047	2.8974	361.163386518001
Cond-009607	NPE968	7-Trifluoromethyl-5,6-dihydro-7a,8,11-triaza-cyclopenta[b]phenanthrene-9-carboxylic acid (1,3,5-trimethyl-1H-pyrazol-4-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	94.2415830308	Cn1nc(C)c(CNC(=O)c2nn3c(c2)nc2c4ccccc4CCc2c3C(F)(F)F)c1C	InChI=1S/C23H21F3N6O/c1-12-17(13(2)31(3)29-12)11-27-22(33)18-10-19-28-20-15-7-5-4-6-14(15)8-9-16(20)21(23(24,25)26)32(19)30-18/h4-7,10H,8-9,11H2,1-3H3,(H,27,33)	C23H21F3N6O	454.448	7	1	77.11	5	5	1	1.6074	4.2449	2.89	5.362	51.2768	119.2927	3.0869	367.590689084216
Cond-009608	NPE969	7-Trifluoromethyl-5,6-dihydro-7a,8,11-triaza-cyclopenta[b]phenanthrene-9-carboxylic acid (pyridin-3-ylmethyl)-amide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.5911927302	FC(F)(F)c1c2CCc3ccccc3c2nc2cc(nn12)C(=O)NCc1cccnc1	InChI=1S/C22H16F3N5O/c23-22(24,25)20-16-8-7-14-5-1-2-6-15(14)19(16)28-18-10-17(29-30(18)20)21(31)27-12-13-4-3-9-26-11-13/h1-6,9-11H,7-8,12H2,(H,27,31)	C22H16F3N5O	423.391	6	1	72.18	5	5	1	0.6129	3.98527	2.89	5.571	31.2171	110.6937	2.8032	336.661485549382
Cond-009609	NPE97	1-[(3-carboxypropyl)amino]-3,4-dihydrospiro[isoquinoline-3,1'-cyclopentane]	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.6025623042	[O-]C(=O)CCCNC1=[NH+]C2(CCCC2)Cc2ccccc12	InChI=1S/C17H22N2O2/c20-15(21)8-5-11-18-16-14-7-2-1-6-13(14)12-17(19-16)9-3-4-10-17/h1-2,6-7H,3-5,8-12H2,(H,18,19)(H,20,21)	C17H22N2O2	286.369	4	2	66.13	3	5	0	-3.2431	-0.263709999999998	2.89	3.073	44.8975	81.9034	2.2801	281.01050155159
Cond-009610	NPE970	8-(1H-Benzimidazol-2-ylsulfanyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	93.0215241419	C1Cc2nc3ncnn3c(Sc3nc4c([nH]3)cccc4)c2C1	InChI=1S/C15H12N6S/c1-2-6-12-11(5-1)19-15(20-12)22-13-9-4-3-7-10(9)18-14-16-8-17-21(13)14/h1-2,5-6,8H,3-4,7H2,(H,19,20)	C15H12N6S	308.361	6	1	97.06	5	2	0	0.2134	3.21245	2.34	2.778	26.2203	83.272	2.0974	226.011850285001
Cond-009611	NPE971	8-[2-(1-adamantyl)ethyl]-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	98.1083474201	Cn1c2c(n3cc(n(CCC45CC6CC(CC(C6)C4)C5)c3n2)c2ccccc2)c(=O)n(C)c1=O	InChI=1S/C27H31N5O2/c1-29-23-22(24(33)30(2)26(29)34)32-16-21(20-6-4-3-5-7-20)31(25(32)28-23)9-8-27-13-17-10-18(14-27)12-19(11-17)15-27/h3-7,16-19H,8-15H2,1-2H3	C27H31N5O2	457.567	7	0	61.68	4	4	1	-0.890299999999996	4.98897000000001	3.66	8.636	90.0144	133.505	3.4251	418.725417529158
Cond-009612	NPE972	8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	91.0812157449	CCN(CC)CCNc1nc2c(n1CC(O)COc1c(C)cccc1)c(=O)n(C)c(=O)n2C	InChI=1S/C23H34N6O4/c1-6-28(7-2)13-12-24-22-25-20-19(21(31)27(5)23(32)26(20)4)29(22)14-17(30)15-33-18-11-9-8-10-16(18)3/h8-11,17,30H,6-7,12-15H2,1-5H3,(H,24,25)	C23H34N6O4	458.554	10	2	103.17	3	11	1	-0.211599999999999	3.08079	2.89	1.722	87.287	133.4115	3.5561	430.180986138981
Cond-009613	NPE973	8-{[2-(diethylamino)ethyl]amino}-7-[(3-bromophenyl)methyl]-3-methyl-1,3,7-trihydropurine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	88.7180582248	CCN(CC)CCNc1nc2c(n1Cc1cc(Br)ccc1)c(=O)[nH]c(=O)n2C	InChI=1S/C19H25BrN6O2/c1-4-25(5-2)10-9-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-7-6-8-14(20)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,22)(H,23,27,28)	C19H25BrN6O2	449.345	8	2	82.5	3	8	0	0.586100000000003	3.92017	2.56	2.496	72.3935	117.7864	3.0501	362.700213211958
Cond-009614	NPE974	8-(4-Chloro-phenyl)-5-(3-dimethylamino-propylamino)-10-thia-6,6a,11-triaza-cyclopenta[b]phenanthren-7-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.0823706424	CN(C)CCCNc1nn2c(=O)c3c(scc3c3ccc(Cl)cc3)nc2c2c1cccc2	InChI=1S/C24H22ClN5OS/c1-29(2)13-5-12-26-21-17-6-3-4-7-18(17)22-27-23-20(24(31)30(22)28-21)19(14-32-23)15-8-10-16(25)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,28)	C24H22ClN5OS	463.982	6	1	88.54	5	6	1	0.2112	4.19117	3.22	5.767	62.3752	132.5567	3.3178	397.67087007823
Cond-009615	NPE975	8-(4-Phenethyl-perhydro-1,4-diazepine-1-sulfonyl)-quinoline	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.0255962769	O=S(=O)(N1CCC[NH+](CCc2ccccc2)CC1)c1c2ncccc2ccc1	InChI=1S/C22H25N3O2S/c26-28(27,21-11-4-9-20-10-5-13-23-22(20)21)25-15-6-14-24(17-18-25)16-12-19-7-2-1-3-8-19/h1-5,7-11,13H,6,12,14-18H2/p+1	C22H26N3O2S+	396.526	5	1	63.09	4	5	1	-2.3548	2.27069000000001	3.22	5.06	42.066	106.5247	3.0318	356.248603493891
Cond-009616	NPE976	8-(6-Amino-hexylamino)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.4021264477	Cn1c(NCCCCCCN)nc2c1c(=O)[nH]c(=O)n2C	InChI=1S/C13H22N6O2/c1-18-9-10(19(2)13(21)17-11(9)20)16-12(18)15-8-6-4-3-5-7-14/h3-8,14H2,1-2H3,(H,15,16)(H,17,20,21)	C13H22N6O2	294.353	8	4	105.28	2	7	0	-2.8325	1.95656	2.01	-0.256	57.7684	86.0128	2.2673	270.80652128239
Cond-009617	NPE977	8-allyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-2H-chromene-3-carboxamide	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.4917006098	C=CCc1c2oc(=O)c(cc2ccc1)C(=O)NCC[NH+]1CCOCC1	InChI=1S/C19H22N2O4/c1-2-4-14-5-3-6-15-13-16(19(23)25-17(14)15)18(22)20-7-8-21-9-11-24-12-10-21/h2-3,5-6,13H,1,4,7-12H2,(H,20,22)/p+1	C19H23N2O4+	343.397	6	2	69.07	3	7	0	-0.953400000000002	0.22696	2.89	2.636	67.6258	97.3194	2.6148	329.228236153246
Cond-009618	NPE978	((8aR,9aS)-3-Hydroxy-decahydro-1,8,10-trioxa-anthracen-2-yl)-acetic acid ethyl ester	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.1588372697	[C@@H]12C[C@@H]3OC(CC(=O)OCC)C(O)CC3OC1CCCO2	InChI=1S/C15H24O6/c1-2-18-15(17)8-11-9(16)6-13-14(21-11)7-12-10(20-13)4-3-5-19-12/h9-14,16H,2-8H2,1H3/t9?,10?,11?,12-,13?,14+/m1/s1	C15H24O6	300.347	6	1	74.22	3	4	0	-2.069	1.02839	2.45	0.239	64.9993	76.0298	2.2055	281.031753488967
Cond-009619	NPE979	8-Azepan-1-ylmethyl-3-(1H-benzoimidazol-2-yl)-7-hydroxy-chromen-2-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	74.6294357184	Oc1ccc2cc(c3nc4c([nH]3)cccc4)c(=O)oc2c1CN1CCCCCC1	InChI=1S/C23H23N3O3/c27-20-10-9-15-13-16(22-24-18-7-3-4-8-19(18)25-22)23(28)29-21(15)17(20)14-26-11-5-1-2-6-12-26/h3-4,7-10,13,27H,1-2,5-6,11-12,14H2,(H,24,25)	C23H23N3O3	389.447	6	2	78.45	5	3	0	-1.8036	4.55626000000001	3.33	3.587	49.9358	118.304	2.8948	347.514644010719
Cond-009620	NPE98	1-(3-chloro-benzyl)-4-(7-methoxy-benzo[1,3]dioxol-5-ylmethyl)-piperazine -oxalate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.1868424744	COc1c2OCOc2cc(C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)c1	InChI=1S/C20H23ClN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-7-5-22(6-8-23)12-15-3-2-4-17(21)9-15/h2-4,9-11H,5-8,12-14H2,1H3/p+2	C20H25ClN2O3++	376.877	5	2	36.57	4	5	0	-2.4284	0.382690000000003	3	2.629	48.6767	99.9194000000001	2.7753	333.643291199385
Cond-009621	NPE980	8-benzyl-7,8,9,10-tetrahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	96.5372703351	O=C1Cn2c3c(CN(Cc4ccccc4)CC3)c3c2c(N1)ccc3	InChI=1S/C20H19N3O/c24-19-13-23-18-9-10-22(11-14-5-2-1-3-6-14)12-16(18)15-7-4-8-17(21-19)20(15)23/h1-8H,9-13H2,(H,21,24)	C20H19N3O	317.384	4	1	37.27	5	2	0	-1.0634	3.71187	3.22	3.858	34.8477	97.8427	2.3977	280.682695432796
Cond-009622	NPE981	8-Bromo-3-(2-morpholin-4-yl-ethylsulfanyl)-5H-1,2,4-triazino[5,6-b]indole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	73.07504363	Brc1ccc2[nH]c3c(nnc(SCC[NH+]4CCOCC4)n3)c2c1	InChI=1S/C15H16BrN5OS/c16-10-1-2-12-11(9-10)13-14(17-12)18-15(20-19-13)23-8-5-21-3-6-22-7-4-21/h1-2,9H,3-8H2,(H,17,18,20)/p+1	C15H17BrN5OS+	395.297	6	2	93.43	4	4	0	-0.4694	2.00947	2.23	2.198	49.5849	97.5517	2.4474	272.936541207762
Cond-009623	NPE982	8-chloro-1-[(4-methyl-1-piperazinyl)methyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.7695684153	CN1CCN(Cc2nnc3CN=C(c4ccccc4)c4cc(Cl)ccc4n23)CC1	InChI=1S/C22H23ClN6/c1-27-9-11-28(12-10-27)15-21-26-25-20-14-24-22(16-5-3-2-4-6-16)18-13-17(23)7-8-19(18)29(20)21/h2-8,13H,9-12,14-15H2,1H3	C22H23ClN6	406.911	6	0	49.03	5	3	0	0.625999999999999	3.68929	3.11	4.517	54.6958	117.513	2.9996	352.049327678102
Cond-009624	NPE983	8-Chloro-6-trifluoromethyl-2-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	41.0946570312	FC(F)(F)c1cccc(c1)c1nn2cc(cc(Cl)c2n1)C(F)(F)F	InChI=1S/C14H6ClF6N3/c15-10-5-9(14(19,20)21)6-24-12(10)22-11(23-24)7-2-1-3-8(4-7)13(16,17)18/h1-6H	C14H6ClF6N3	365.661	3	0	30.19	3	3	1	2.9537	4.85869	1.9	6.085	21.3828	73.806	1.9824	247.082357951706
Cond-009625	NPE984	(8-Hexyl-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c][1]benzopyran-7-yloxy)-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	78.2687609075	CCCCCCc1cc2c(oc(=O)c3c2CCC3)cc1OCC(=O)[O-]	InChI=1S/C20H24O5/c1-2-3-4-5-7-13-10-16-14-8-6-9-15(14)20(23)25-18(16)11-17(13)24-12-19(21)22/h10-11H,2-9,12H2,1H3,(H,21,22)/p-1	C20H23O5-	343.394	5	0	75.66	3	8	0	-2.4895	4.03007000000001	3.11	4.171	60.3456	98.561	2.6148	333.320927063341
Cond-009626	NPE985	8-hydroxy-7-[(4-sulfonaphthyl)diazenyl]quinoline-5-sulfonic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.5954053541	Oc1c(cc(c2cccnc12)S(=O)(=O)[O-])/N=N/c1ccc(c2ccccc12)S(=O)(=O)[O-]	InChI=1S/C19H13N3O7S2/c23-19-15(10-17(31(27,28)29)13-6-3-9-20-18(13)19)22-21-14-7-8-16(30(24,25)26)12-5-2-1-4-11(12)14/h1-10,23H,(H,24,25,26)(H,27,28,29)/p-2/b22-21+	C19H11N3O7S2--	457.437	10	1	189	4	4	0	-2.8989	4.14036	2.23	2.628	19.8478	100.4806	2.8726	344.056743023096
Cond-009627	NPE986	8-Oxa-1,4-dithiaspiro[4.5]decan-7-one, 9-methyl-, (9S)-	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	125.019465352	CC1CC2(CC(=O)O1)SCCS2	InChI=1S/C8H12O2S2/c1-6-4-8(5-7(9)10-6)11-2-3-12-8/h6H,2-5H2,1H3	C8H12O2S2	204.31	2	0	76.9	2	0	0	0.880999999999999	2.12209	1.9	1.899	50.3611	55.678	1.42	174.173461121656
Cond-009628	NPE987	8-p-Tolyl-2,4-bis-trifluoromethyl-imidazo[1,2-a][1,8]naphthyridine	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	71.595113438	Cc1ccc(cc1)c1cn2c(ccc3c(cc(nc23)C(F)(F)F)C(F)(F)F)n1	InChI=1S/C19H11F6N3/c1-10-2-4-11(5-3-10)14-9-28-16(26-14)7-6-12-13(18(20,21)22)8-15(19(23,24)25)27-17(12)28/h2-9H,1H3	C19H11F6N3	395.301	3	0	30.19	4	3	1	2.8514	5.84641	2.56	8.004	21.2693	91.2490000000001	2.3699	289.821837208206
Cond-009629	NPE988	{9-[2-(4-Chloro-benzyloxy)-phenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl}-acetic acid	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.785764458	[O-]C(=O)CN1C2=C(C(c3ccccc3OCc3ccc(Cl)cc3)C3=C1CCCC3=O)C(=O)CCC2	InChI=1S/C28H26ClNO5/c29-18-13-11-17(12-14-18)16-35-24-10-2-1-5-19(24)26-27-20(6-3-8-22(27)31)30(15-25(33)34)21-7-4-9-23(32)28(21)26/h1-2,5,10-14,26H,3-4,6-9,15-16H2,(H,33,34)/p-1	C28H25ClNO5-	490.955	6	0	86.74	5	6	0	-1.3104	3.82907000000001	3.77	3.795	79.3655	130.395	3.532	449.101421143275
Cond-009630	NPE989	9-[2-(diethylamino)ethyl]-2-phenyl-9-hydroimidazo[1,2-a]benzimidazole-3-carbaldehyde	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.3592460545	CCN(CC)CCn1c2nc(c(C=O)n2c2c1cccc2)c1ccccc1	InChI=1S/C22H24N4O/c1-3-24(4-2)14-15-25-18-12-8-9-13-19(18)26-20(16-27)21(23-22(25)26)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3	C22H24N4O	360.452	5	0	42.54	4	7	1	0.5758	5.34266000000001	3.33	5.812	44.3933	116.328	2.8449	325.091424892697
Cond-009631	NPE99	1-(3-chlorocarbazol-9-yl)-3-(4-methylpiperazinyl)propan-2-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	92.6559022681	CN1CCN(CC(O)Cn2c3c(cccc3)c3c2ccc(Cl)c3)CC1	InChI=1S/C20H24ClN3O/c1-22-8-10-23(11-9-22)13-16(25)14-24-19-5-3-2-4-17(19)18-12-15(21)6-7-20(18)24/h2-7,12,16,25H,8-11,13-14H2,1H3	C20H24ClN3O	357.877	4	1	31.64	4	4	0	0.445099999999999	3.46139	3.11	3.026	54.242	105.4388	2.7147	313.52313930563
Cond-009632	NPE990	9-(4-chlorobenzyl)-2,9-dihydro-3H-imidazo[1,2-a]benzoimidazole	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	99.555011419	Clc1ccc(Cn2c3ccccc3n3CCN=c23)cc1	InChI=1S/C16H14ClN3/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20/h1-8H,9-11H2	C16H14ClN3	283.755	3	0	18.84	4	2	1	0.0854000000000001	3.62148	2.78	5.477	30.7651	84.208	2.0494	243.812515400801
Cond-009633	NPE991	9-(4-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazinyl]-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyrimidin-8-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.3503062608	OCCN1CCN(CC1)c1nn2c(=O)c3c(scc3c3ccc(Cl)cc3)nc2c2c1cccc2	InChI=1S/C25H22ClN5O2S/c26-17-7-5-16(6-8-17)20-15-34-24-21(20)25(33)31-22(27-24)18-3-1-2-4-19(18)23(28-31)30-11-9-29(10-12-30)13-14-32/h1-8,15,32H,9-14H2	C25H22ClN5O2S	491.992	7	1	99.98	6	4	1	-0.119300000000001	3.25977	3.22	5.173	69.4836	136.4818	3.4088	411.400622703858
Cond-009634	NPE992	9-(4-methylphenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	95.9984043482	Cc1ccc(cc1)c1csc2c1c(=O)n1nc(NCCCN3CCOCC3)c3c(cccc3)c1n2	InChI=1S/C27H27N5O2S/c1-18-7-9-19(10-8-18)22-17-35-26-23(22)27(33)32-25(29-26)21-6-3-2-5-20(21)24(30-32)28-11-4-12-31-13-15-34-16-14-31/h2-3,5-10,17H,4,11-16H2,1H3,(H,28,30)	C27H27N5O2S	485.601	7	1	97.77	6	6	1	-0.203399999999999	3.8788	3.55	6.649	71.3362	143.3397	3.5682	430.781524185158
Cond-009635	NPE993	9-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]xanthene	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	76.0666105628	O=N(=O)c1cc(ccc1)c1nnc(o1)C1c2c(Oc3c1cccc3)cccc2	InChI=1S/C21H13N3O4/c25-24(26)14-7-5-6-13(12-14)20-22-23-21(28-20)19-15-8-1-3-10-17(15)27-18-11-4-2-9-16(18)19/h1-12,19H	C21H13N3O4	371.346	7	0	91.29	5	3	1	0.221	6.38199	3	6.762	10.9079	105.938	2.5427	302.903525357146
Cond-009636	NPE994	9-Amino-1,2,3,5,6,7-hexahydro-cyclopenta[b]quinolin-8-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	TRUE	112.068518038	Nc1c2C(=O)CCCc2nc2c1CCC2	InChI=1S/C12H14N2O/c13-12-7-3-1-4-8(7)14-9-5-2-6-10(15)11(9)12/h1-6H2,(H2,13,14)	C12H14N2O	202.252	3	2	55.98	3	0	0	-0.9813	3.15337	2.45	0.909	33.7095	62.4214	1.5599	188.376810422495
Cond-009637	NPE995	9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-1-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.155722813	Nc1c2CCCCc2nc2c1C(O)CC2	InChI=1S/C12H16N2O/c13-12-7-3-1-2-4-8(7)14-9-5-6-10(15)11(9)12/h10,15H,1-6H2,(H2,13,14)	C12H16N2O	204.268	3	3	59.14	3	0	0	-1.551	2.74929	2.45	1.163	32.6884	59.5172	1.6029	191.013269123295
Cond-009638	NPE996	9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-8-ol	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	115.520373735	Nc1c2C(O)CCCc2nc2c1CCC2	InChI=1S/C12H16N2O/c13-12-7-3-1-4-8(7)14-9-5-2-6-10(15)11(9)12/h10,15H,1-6H2,(H2,13,14)	C12H16N2O	204.268	3	3	59.14	3	0	0	-1.551	2.74929	2.45	0.952	32.6884	59.5172	1.6029	191.013269123295
Cond-009639	NPE997	9-Amino-2,3,5,6,7,8-hexahydro-cyclopenta[b]quinolin-1-one	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	127.251492344	Nc1c2CCCCc2nc2c1C(=O)CC2	InChI=1S/C12H14N2O/c13-12-7-3-1-2-4-8(7)14-9-5-6-10(15)11(9)12/h1-6H2,(H2,13,14)	C12H14N2O	202.252	3	2	55.98	3	0	0	-0.9813	3.15337	2.45	1.12	33.7095	62.4214	1.5599	188.376810422495
Cond-009640	NPE998	9-Amino-2,3,6,7-tetrahydro-5H-cyclopenta[b]quinoline-1,8-dione	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	108.941084869	Nc1c2C(=O)CCCc2nc2c1C(=O)CC2	InChI=1S/C12H12N2O2/c13-12-10-6(2-1-3-8(10)15)14-7-4-5-9(16)11(7)12/h1-5H2,(H2,13,14)	C12H12N2O2	216.236	4	2	73.05	3	0	0	-0.984700000000001	1.68528	2.34	-0.164	35.8277	62.6319	1.5756	194.530578422256
Cond-009641	NPE999	9-BENZYLGUANINE	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	100.455667363	Nc1nc2c(ncn2Cc2ccccc2)c(O)n1	InChI=1S/C12H11N5O/c13-12-15-10-9(11(18)16-12)14-7-17(10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,15,16,18)	C12H11N5O	241.249	6	3	89.85	3	2	0	-1.1854	2.61567	2.12	2.015	14.3969	71.7314	1.7303	191.657714944595
Cond-009642	Nadolol	Nadolol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.3503266299	CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2	InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3	C17H27NO4	309.401	5	4	81.95	2	6	0	-0.925000000000001	1.13559	2.78	1.774	61.4623	87.1821000000001	2.4923	305.223570846946
Cond-009643	Nafcillin sodium salt monohydrate	Nafcillin sodium salt monohydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	98.6836692719	[Na+].[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(=O)[O-]	InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1	C21H21N2NaO5S	436.457	7	1	124.07	4	6	0	-0.985899999999999	1.88378	2.89	3.661	62.8187	112.7742	2.9242	362.590080060741
Cond-009644	Nalidixic acid	Nalidixic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.4472908928	CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2	InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	C12H12N2O3	232.235	5	1	70.5	2	2	0	0.053	2.24779	2.23	2.507	39.5265	65.6503	1.6999	213.040805122817
Cond-009645	Naloxone	Naloxone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.2353268851	[C@@H]12Cc3c4c(O[C@@H]5C(=O)CC[C@]1(O)[C@@]45CCN2CC=C)c(O)cc3	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17-,18+,19-/m1/s1	C19H21NO4	327.374	5	2	70	5	2	0	-0.848400000000002	1.46148	3	0.612	64.5263	90.2436	2.3623	297.473246594679
Cond-009646	Naphthol AS-BI phosphate	Naphthol AS-BI phosphate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.8466554588	COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OP(=O)(O)O	InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)	C18H15BrNO6P	452.193	7	3	114.9	3	6	0	-0.1939	4.90318	2.45	2.985	36.2203	108.5318	2.7636	329.235670353901
Cond-009647	Naphthylazoxine S disodium salt	Naphthylazoxine S disodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.3624023036	Oc1c(cc(c2cccnc12)S(=O)(=O)O)/N=N/c1cccc2ccccc12	InChI=1S/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,23H,(H,24,25,26)/b22-21+	C19H13N3O4S	379.389	7	2	120.59	4	3	0	-1.0018	5.53787	2.67	4.831	13.484	100.2768	2.576	301.813497564613
Cond-009648	Naproxen sodium salt	Naproxen sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.6343068696	[Na+].COc1cc2ccc(cc2cc1)C(C)C(=O)[O-]	InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1	C14H13NaO3	252.241	3	0	49.36	2	3	0	-0.6746	1.93569	2.67	3.269	21.6114	67.165	1.7606	213.421024607817
Cond-009649	Naringenin	Naringenin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.5113122172	Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(O)cc2O	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2	C15H12O5	272.253	5	3	86.99	3	1	0	-1.8144	2.13719	2.56	0.897	22.606	72.4384	1.8888	234.622774583606
Cond-009650	Naringin	Naringin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	96.1803509671	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Oc2cc3c(C(=O)C[C@H](O3)c3ccc(O)cc3)c(O)c2)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27-/m0/s1	C27H32O14	580.535	14	8	225.06	5	6	1	-4.8082	-1.53791	2.89	-1.045	86.0545	136.3904	3.89070000000001	496.573712997458
Cond-009651	Neomycin B	Neomycin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.27852332	NCC1O[C@H](O[C@@H]2C(CO)OC(O[C@H]3C(O)[C@H](N)CC(N)[C@H]3O[C@H]3OC(CN)[C@@H](O)C(O)C3N)C2O)C(N)[C@H](O)[C@@H]1O	InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6?,7?,8?,9?,10?,11?,12?,13-,14-,15?,16+,17?,18-,19-,20+,21-,22-,23?/m1/s1	C23H46N6O13	614.644	19	19	353.11	4	9	2	-9.3091	-8.8953	1.9	-6.914	133.9465	138.356	4.27680000000001	537.19177864883
Cond-009652	Neutral red	Neutral red	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	35.0473056355	Cl.CN(C)c1cc2c(cc1)nc1cc(C)c(N)cc1n2	InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H	C15H17ClN4	288.775	4	2	55.04	3	1	0	0.1099	4.4326	2.67	2.289	24.0156	82.1874	1.9945	223.758681913467
Cond-009653	Nialamide	Nialamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	60.8181771868	O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1	InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)	C16H18N4O2	298.34	6	3	83.12	2	9	0	-1.632	0.651390000000001	2.56	3.041	32.1566	84.8771	2.3184	279.255119940456
Cond-009654	Nicergoline	Nicergoline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.1556295632	[C@@H]12Cc3cn(C)c4c3c(ccc4)[C@]1(C[C@@H](COC(=O)c1cncc(Br)c1)CN2C)OC	InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1	C24H26BrN3O3	484.386	6	0	56.59	5	5	0	0.483500000000001	3.94338	3.33	3.297	67.0549	125.339	3.2537	386.730706314952
Cond-009655	Nifenazone	Nifenazone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O=c1n(n(c(c1NC(=O)c1cccnc1)C)C)c1ccccc1	InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)	C17H16N4O2	308.335	6	1	65.54	3	4	0	-1.1404	2.35817	2.67	3.023	38.1842	89.2697	2.3077	281.558187164723
Cond-009656	Niflumic acid	Niflumic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.9038067949	OC(=O)c1cccnc1Nc1cc(ccc1)C(F)(F)F	InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	C13H9F3N2O2	282.218	4	2	62.22	2	4	0	0.4379	3.76958	2.12	4.372	16.9539	68.4095	1.7922	226.212780898242
Cond-009657	Nifuroxazide	Nifuroxazide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	46.818482857	Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)N(=O)=O	InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+	C12H9N3O5	275.217	8	2	117.97	2	5	0	-0.6233	1.30847	1.9	2.83	23.0662	76.4025	1.8311	225.445101330506
Cond-009658	Nigericin	Nigericin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	15.2478544896	[C@@H]1(C[C@H](C)[C@@H](O1)[C@]1(C)CC[C@@H](O1)[C@]1(C)C[C@@H](C)[C@]2(O1)O[C@H](C[C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)C(=O)O)C[C@@H](OC)[C@H]2C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C	InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1	C40H68O11	724.961	11	3	142.37	6	9	1	-1.34440000000001	5.93949000000001	4.65	4.727	177.245	191.9794	5.69570000000002	720.313126536037
Cond-009659	Nikethamide	Nikethamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.256190814	CCN(CC)C(=O)c1cnccc1	InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3	C10H14N2O	178.231	3	0	33.2	1	4	0	0.0706000000000004	1.53199	2.23	1.415	27.4225	54.51	1.4953	178.497758572361
Cond-009660	Nitrendipine	Nitrendipine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	14.1616498015	CCOC(=O)C1=C(C)NC(=C(C1c1cc(ccc1)N(=O)=O)C(=O)OC)C	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3	C18H20N2O6	360.361	8	1	107.77	2	7	0	1.1083	2.51097	2.56	4.333	67.4255	97.5987	2.6354	337.914475578102
Cond-009661	Nitrofurantoin	Nitrofurantoin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.0193416165	O=N(=O)c1ccc(o1)/C=N/N1CC(=O)NC1=O	InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+	C8H6N4O5	238.157	9	1	118.05	2	3	0	-0.481199999999999	-0.14343	1.35	0.546	32.5062	61.4957	1.4533	183.430840436806
Cond-009662	Nocodazole	Nocodazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	12.6995497339	COC(=O)Nc1nc2c([nH]1)ccc(c2)C(=O)c1cccs1	InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)	C14H11N3O3S	301.32	6	2	112.32	3	5	0	-0.0753000000000001	3.15507	2.23	2.972	30.929	84.4432	2.0504	237.709182537917
Cond-009663	Nogalamycin	Nogalamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	31.884246042	[C@@H]12Oc3c(cc(O)c4c3C(=O)c3c(C4=O)c(O)c4[C@H](C[C@](C)(O)[C@H](C(=O)OC)c4c3)OC3OC(C)C(OC)C(C)(OC)C3OC)[C@@](C)(O1)[C@H](O)[C@H]([C@@H]2O)N(C)C	InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14?,19-,24-,25-,29-,31+,32?,33?,35+,36?,37-,38+,39?/m0/s1	C39H49NO16	787.803	17	5	229.44	7	8	1	-2.83430000000001	2.04108000000001	3.88	-1.417	146.4375	199.7054	5.49550000000001	702.716907313943
Cond-009664	Norcantharidin	Norcantharidin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.1888049187	O=C1OC(=O)C2C3CCC(O3)C12	InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2	C8H8O4	168.147	4	0	52.6	3	0	0	-1.3349	0.0972899999999999	1.9	-0.519	32.7145	39.217	1.0588	139.742949005978
Cond-009665	Norepinephrine bitartrate	Norepinephrine bitartrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	83.2543685363	NC[C@@H](O)c1cc(O)c(O)cc1	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1	C8H11NO3	169.178	4	5	86.71	1	2	0	-2.1696	0.11939	1.9	-0.46	20.026	45.427	1.2741	153.125941214384
Cond-009666	Norethindrone	Norethindrone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.4615384615	[C@@H]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@H]1[C@H]3CCC(=O)C=C3CC[C@@H]21	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1	C20H26O2	298.419	2	1	37.3	4	0	0	0.950399999999997	3.73217	3.44	3.244	84.4142	88.2038000000001	2.4376	312.084935012857
Cond-009667	Norethisterone	Norethisterone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.5412467717	[C@@H]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@H]1[C@H]3CCC(=O)C=C3CC[C@@H]21	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1	C20H26O2	298.419	2	1	37.3	4	0	0	0.950399999999997	3.73217	3.44	3.244	84.4142	88.2038000000001	2.4376	312.084935012857
Cond-009668	Norfloxacin	Norfloxacin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	34.4125339631	CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N1CCNCC1	InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	C16H18FN3O3	319.331	6	2	72.88	3	3	0	-0.267599999999998	1.91357	2.45	1.868	59.7133	87.9490000000001	2.2724	286.932603983957
Cond-009669	Novobiocin	Novobiocin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.075960905	CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)cc4)c(=O)oc3c2C)OC1(C)C	InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	C31H36N2O11	612.624	13	6	196.1	4	10	0	0.461899999999998	3.62637000000001	3.44	3.822	106.9596	163.1432	4.4144	563.191115713174
Cond-009670	Nystatin Al	Nystatin Al	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	102.79029726	CC1O[C@@H](OC2CC3OC(O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C\CC/C=C/C=C/C=C/C=C/2)[C@H](O)C(N)[C@@H]1O	InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11-,14-12+,17-15+,18-16+/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40?,41?,42?,43-,44-,46+,47?/m1/s1	C47H75NO17	926.095	18	13	319.61	3	3	2	-5.13799999999999	0.726730000000013	4.65	2.44	229.5203	238.708199999999	7.15880000000003	923.737304525436
Cond-009671	O-Acetyl-L-carnitine chloride	O-Acetyl-L-carnitine chloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.8399835459	[Cl-].CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1	C9H18ClNO4	239.697	5	1	63.6	0	6	0	-1.462	0.33289	1.9	-0.52	48.6848	53.9492	1.6468	206.423299292811
Cond-009672	O-carbamyl-D-serine	O-carbamyl-D-serine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.7769136308	N[C@H](COC(=O)N)C(=O)O	InChI=1S/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m1/s1	C4H8N2O4	148.117	6	5	115.64	0	4	0	-1.2192	-1.90841	1.24	-4.094	28.2692	34.0006	1.0206	129.621907021245
Cond-009673	Octyl beta-D-glucopyranoside	Octyl beta-D-glucopyranoside	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.9946524064	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1	C14H28O6	292.369	6	4	99.38	1	9	0	-3.8723	0.163400000000001	2.34	2.019	63.0584	73.0952000000001	2.3248	291.085144965501
Cond-009674	Olaquindox	Olaquindox	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.9639787147	Cc1n(=O)c2ccccc2n(=O)c1C(=O)NCCO	InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)	C12H13N3O4	263.249	7	2	103.21	2	4	0	-1.4162	0.0801100000000003	2.01	0.345000000000001	29.053	71.4575000000001	1.8584	221.927792031545
Cond-009675	Oleandomycin	Oleandomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.7007777323	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O	InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1	C35H61NO12	687.858	13	3	165.98	4	6	1	-2.2231	2.14239000000001	3.88	0.696	169.0822	176.8664	5.32390000000001	675.696649016232
Cond-009676	Oleandomycin phosphate	Oleandomycin phosphate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	69.8552581017	OP(=O)(O)O.CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O	InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34?,35-;/m0./s1	C35H64NO16P	785.854	13	3	165.98	4	6	1	-2.2231	2.14239000000001	3.88	0.696	169.0822	176.8664	5.32390000000001	675.696649016232
Cond-009677	Oligomycin A	Oligomycin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	45.9208993771	CCC1CCC2O[C@@]3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)/C=C/C(C)[C@H](O)[C@@H](C)C(=O)C(C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)C(C)C/C=C/C=C/1)[C@H]2C	InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26?,27?,28+,29+,30-,31?,32-,33-,34?,35?,36?,38+,40?,41?,42?,44+,45-/m1/s1	C45H74O11	791.062	11	5	180.05	3	3	2	-1.3404	5.89506000000001	5.2	6.052	208.8014	217.343999999999	6.51100000000002	830.680132263769
Cond-009678	Olivomycin A	Olivomycin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.7871788217	[C@H]1(C[C@@H](O)[C@@H](OC)[C@@H](C)O1)O[C@@H]1C[C@H](Oc2cc3c(c(O)c2)c(O)c2C(=O)[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O6)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)[C@@H](Cc2c3)[C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)O[C@H](C)[C@@H]1OC(=O)C	InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(53(27(7)76-40)78-29(9)60)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1	C58H84O26	1197.27	26	8	359.34	8	21	3	-6.82140000000002	3.34996000000002	4.98	-0.0389999999999995	237.4933	297.029299999999	8.55120000000003	1095.88966330206
Cond-009679	Omeprazole	Omeprazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	41.8882202077	COc1ccc2[nH]c(nc2c1)S(=O)Cc1c(C)c(OC)c(C)cn1	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	C17H19N3O3S	345.416	6	1	96.31	3	5	0	0.2504	3.23692	2.56	0.986	42.8132	90.9655	2.5161	292.233595116318
Cond-009680	Oxacillin	Oxacillin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	97.0323372902	[C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1c1ccccc1)C(=O)O	InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1	C19H19N3O5S	401.436	8	2	138.04	4	5	0	-0.221300000000001	1.8233	2.56	3.332	60.8385	106.851	2.7637	340.313100367574
Cond-009681	Oxybutynin chloride	Oxybutynin chloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.471410942	Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1	InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H	C22H32ClNO3	393.947	4	1	49.77	2	8	1	-0.162999999999998	3.31528	3.44	5.374	72.4673	105.2568	3.0091	375.003891173319
Cond-009682	Oxytetracycline	Oxytetracycline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.6099058535	CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c1c(cccc1O)[C@@]3(C)O	InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12?,13?,14?,17?,21-,22?/m1/s1	C22H24N2O9	460.434	11	8	201.85	4	2	1	-3.9391	-1.49843	2.67	-0.900000000000001	87.6013	112.8557	3.1579	408.756176781652
Cond-009683	PERPHENAZINE	PERPHENAZINE	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.6249968123	OCCN1CCN(CCCN2c3c(Sc4c2cc(Cl)cc4)cccc3)CC1	InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2	C21H26ClN3OS	403.969	4	1	55.25	4	6	0	0.719	3.90288000000001	3.11	3.391	65.2769	109.6818	3.0191	360.228147989097
Cond-009684	Paeoniflorin	Paeoniflorin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.2040070085	[C@@H]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)[C@H]1O[C@@]2(O)C[C@@]3(C)O1	InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20-,21+,22+,23+/m1/s1	C23H28O11	480.462	11	5	164.37	5	7	1	-3.3912	-1.38911	2.78	1.22	82.3417	111.799	3.1714	407.472011793908
Cond-009685	Papaverine	Papaverine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.7576749898	COc1ccc(Cc2c3cc(OC)c(OC)cc3ccn2)cc1OC	InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3	C20H21NO4	339.385	5	0	49.81	3	6	0	0.114	4.1323	3.11	3.363	34.0178	97.4850000000001	2.5914	309.772772519746
Cond-009686	Penicillin G	Penicillin G	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.025320302	CC1(C)SC2[C@H](NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O	InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12?,14?/m1/s1	C16H18N2O4S	334.39	6	2	112.01	3	5	0	-0.4719	1.09469	2.45	3.123	58.0361	89.0475	2.3771	297.167535683645
Cond-009687	Pentoxifylline	Pentoxifylline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.5894392141	Cn1cnc2c1c(=O)n(CCCCC(=O)C)c(=O)n2C	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3	C13H18N4O3	278.307	7	0	75.51	2	5	0	-1.3169	1.56498	2.12	-0.104	55.0305	76.638	2.0834	254.966768865817
Cond-009688	Peruvoside	Peruvoside	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.1549891123	[C@H]12CCC3C(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@]1(CC[C@@H](C2)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O)C=O	InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21?,22?,24-,25-,26+,27+,28+,29+,30-/m0/s1	C30H44O9	548.665	9	3	131.75	6	5	0	-1.7053	2.44928	3.77	1.494	135.9922	141.1004	4.0833	524.499909474652
Cond-009689	Phenethicillin	Phenethicillin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	96.7355710192	[C@H](C)(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O	InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9-,11-,12+,15-/m1/s1	C17H20N2O5S	364.416	7	2	121.24	3	6	0	-0.766600000000001	1.82028	2.45	2.514	64.3275	97.4945	2.5767	323.253747010074
Cond-009690	Pheniramin	Pheniramin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.283891224	CN(C)CCC(c1ccccc1)c1ncccc1	InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3	C16H20N2	240.343	2	0	16.13	2	5	1	-0.0928999999999997	3.6084	3	5.247	25.4881	76.0730000000001	2.0874	244.9540635246
Cond-009691	Phenolphthalein	Phenolphthalein	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	76.9053413603	Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H	C20H14O4	318.323	4	2	66.76	4	2	0	-1.2966	2.7767	3.22	4.91	13.7239	88.5966	2.297	281.146636209179
Cond-009692	Phenolphthalin	Phenolphthalin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.0612916495	OC(=O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1	InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)	C20H16O4	320.339	4	3	77.76	3	4	1	-1.0944	3.9659	3.22	5.844	15.996	91.9934000000001	2.4056	293.503094909979
Cond-009693	Phenosafranin	Phenosafranin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	74.5269436446	[Cl-].Nc1cc2[n+](c3ccccc3)c3cc(N)ccc3nc2cc1	InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H	C18H15ClN4	322.792	4	4	69.03	4	1	0	-2.9437	4.45878	3	4.218	8.4442	94.3318	2.2011	245.799030338268
Cond-009694	Phentolamine hydrochloride	Phentolamine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.6143204816	Cl.Cc1ccc(cc1)N(CC1=NCCN1)c1cc(O)ccc1	InChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H	C17H20ClN3O	317.813	4	2	47.86	3	4	0	-0.6845	3.4577	2.89	3.73	33.4629	88.3427	2.2352	267.044117657595
Cond-009695	Phenylbutazone	Phenylbutazone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.3496861791	CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3	C19H20N2O2	308.374	4	0	40.62	3	5	1	-1.6834	5.07587	3.11	5.664	34.6783	94.962	2.4329	296.793094700924
Cond-009696	Phenytoin	Phenytoin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.101585051	O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1	InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)	C15H12N2O2	252.268	4	2	58.2	3	2	0	-1.0361	0.79379	2.67	4.717	17.1871	71.4814	1.8693	227.609156197456
Cond-009697	Phloretin	Phloretin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.7499679775	Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2	C15H14O5	274.269	5	4	97.99	2	4	0	-2.0078	2.29289	2.56	1.978	25.019	75.2162	1.9974	246.979233284406
Cond-009698	Phloxine B	Phloxine B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.2875359934	[Na+].[Na+].[O-]c1c(Br)c2c(cc1Br)C1(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c13)c1c(O2)c(Br)c([O-])c(Br)c1	InChI=1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2	C20H2Br4Cl4Na2O5	829.634	5	0	85.56	5	0	1	4.4141	6.30247	2.23	5.7	67.0726	133.587	3.3937	402.02269250014
Cond-009699	Phosphomycin disodium salt	Phosphomycin disodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.4236939531	[Na+].[Na+].C[C@@H]1O[C@@H]1P(=O)([O-])[O-]	InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/t2-,3+;;/m0../s1	C3H5Na2O4P	182.023	4	0	85.53	1	1	0	-2.0005	-2.0015	1.24	-1.578	20.9101	17.7145	0.8191	100.439655387044
Cond-009700	Picrotin	Picrotin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.3545536057	CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@@]43C(=O)O[C@H]2[C@]14C	InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1	C15H18O7	310.299	7	2	105.59	5	1	0	-1.3068	-0.63331	2.34	-0.988	66.8982	71.5586	2.004	262.472604087128
Cond-009701	Picrotoxin	Picrotoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	73.4059571875	CC(=C)[C@@H]1C2OC(=O)C1[C@]1(O)CC3O[C@@]43C(=O)O[C@H]2[C@]14C	InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6?,7-,8?,9?,10+,13+,14+,15-/m0/s1	C15H16O6	292.284	6	1	85.36	5	1	0	-0.0148999999999996	0.0980799999999999	2.45	-0.472	65.7649	69.8048	1.9023	251.045918685767
Cond-009702	Picrotoxinin	Picrotoxinin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.5796829898	CC(=C)C1C2OC(=O)C1C1(O)CC3OC43C(=O)OC2C14C	InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3	C15H16O6	292.284	6	1	85.36	5	1	0	-0.0148999999999996	0.0980799999999999	2.45	-0.472	65.7649	69.8048	1.9023	251.045918685767
Cond-009703	Pilocarpine	Pilocarpine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.5796829898	CC[C@H]1[C@@H](Cc2cncn2C)COC1=O	InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	C11H16N2O2	208.257	4	0	44.12	2	3	0	-0.5891	1.80088	2.23	1.307	39.6987	59.426	1.6293	194.863969898789
Cond-009704	Pimozide	Pimozide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.5710234466	Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2)c1ccc(F)cc1	InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	C28H29F2N3O	461.546	4	1	35.58	5	7	1	-0.409999999999999	6.57478000000001	3.88	7.805	49.0864	133.4487	3.4743	425.912772738743
Cond-009705	Pindolol	Pindolol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.275839368	CC(C)NCC(O)COc1cccc2c1cc[nH]2	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3	C14H20N2O2	248.321	4	3	57.28	2	6	0	-1.4302	1.92449	2.56	1.62	38.8013	75.4325	2.009	233.215465075589
Cond-009706	Pipemidic acid	Pipemidic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.1888049187	CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1	InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)	C14H17N5O3	303.316	8	2	98.66	3	3	0	-0.747299999999998	0.96966	2.12	0.577	58.8408	84.6220000000001	2.1725	268.266596298251
Cond-009707	Piperazine	Piperazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	N1CCNCC1	InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2	C4H10N2	86.1356	2	2	24.06	1	0	0	-0.7944	-0.8208	1.68	-0.772	25.4488	25.7394	0.7632	87.3774589198002
Cond-009708	Piperidolate	Piperidolate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	99.3062237302	CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1	InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3	C21H25NO2	323.429	3	0	29.54	3	6	1	-0.473099999999998	4.06319	3.44	7.42	41.4473	98.2710000000001	2.6579	323.024762445291
Cond-009709	Piperonylamine (3,4-Methylenedioxybenzylamine)	Piperonylamine (3,4-Methylenedioxybenzylamine)	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.241272027	NCc1ccc2OCOc2c1	InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2	C8H9NO2	151.163	3	2	44.48	2	1	0	-1.041	1.03529	2.01	0.748	16.4064	41.7614	1.1068	131.979255813022
Cond-009710	Piroxicam	Piroxicam	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.597216537	CN1C(=C(O)c2c(cccc2)S1(=O)=O)C(=O)Nc1ccccn1	InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)	C15H13N3O4S	331.346	7	2	107.98	3	3	0	-2.0111	2.18427	2.23	3.394	35.5316	80.8175	2.25	274.695393864345
Cond-009711	Plumbagin	Plumbagin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	Oc1c2c(C(=O)C(=CC2=O)C)ccc1	InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3	C11H8O3	188.179	3	1	54.37	2	0	0	-0.1804	1.61208	2.34	0.756	27.7821	53.2763	1.3594	173.751300080617
Cond-009712	Podophyllotoxin	Podophyllotoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	42.8937812651	COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2c1cc1OCOc1c2	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	C22H22O8	414.405	8	1	92.68	5	4	0	-1.5006	2.78608	3	1.259	56.5346	107.0038	2.834	357.352429664758
Cond-009713	Polymixin B	Polymixin B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.2768028692	[C@H]1(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC[C@H](C)CC)[C@H](C)O)[C@@H](C)O	InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33-,34+,36+,37+,38+,39+,40-,41+,42+,43+,45+,46+/m1/s1	C56H98N16O13	1203.48	29	23	490.66	2	33	3	-14.3785	-5.01090999999999	4.43	3.033	261.415	319.419299999999	9.53970000000003	1194.8293689745
Cond-009714	Polyoxin A	Polyoxin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	60.294719607	[C@@H]1(O[C@H]([C@H](O)[C@@H]1O)n1cc(CO)c(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)N1C/C(=C/C)/C1C(=O)O	InChI=1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12?,13+,14-,15+,16+,20+/m0/s1	C23H32N6O14	616.532	20	12	324.84	3	14	3	-5.6435	-6.81762999999999	1.79	-8.148	131.8866	137.884	4.1001	537.246794443791
Cond-009715	Polyoxin D	Polyoxin D	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	49.1199345068	N[C@@H]([C@H](O)[C@@H](O)COC(=O)N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(=O)O)c(=O)[nH]c1=O)C(=O)O	InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1	C17H23N5O14	521.39	19	12	321.6	2	12	3	-5.366	-6.80861999999999	1.24	-7.39	101.5216	109.446	3.30650000000001	437.467043882024
Cond-009716	Pramoxine hydrochloride	Pramoxine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	80.5018510901	CCCCOc1ccc(OCCCN2CCOCC2)cc1	InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3	C17H27NO3	293.401	4	0	30.93	2	9	0	-1.1806	3.46739	2.89	3.069	55.3742	86.2770000000001	2.4336	296.433344146384
Cond-009717	Praziquantel	Praziquantel	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.2249263481	O=C(C1CCCCC1)N1CC2N(CCc3c2cccc3)C(=O)C1	InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2	C19H24N2O2	312.406	4	0	40.62	4	2	0	-1.7405	2.42769	3.11	3.651	57.9791	90.2200000000001	2.4533	303.246012102524
Cond-009718	Prazosin	Prazosin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.7012204385	COc1cc2c(cc1OC)c(N)nc(n2)N1CCN(CC1)C(=O)c1ccco1	InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	C19H21N5O4	383.401	9	2	106.95	4	5	0	-1.5828	2.68527	2.56	0.717	49.6611	108.3654	2.7411	324.107370025746
Cond-009719	Prednisolone	Prednisolone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	104.086696713	[C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	C21H28O5	360.444	5	3	94.83	4	2	0	-0.857700000000002	1.64387	3.22	1.021	97.1956	97.7514000000001	2.7546	355.751599740408
Cond-009720	Prednisone	Prednisone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.1772932949	[C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1	C21H26O5	358.428	5	2	91.67	4	2	0	-0.7488	1.85207	3.22	0.608	96.3116	96.7516000000001	2.7116	353.115141039608
Cond-009721	Primidone	Primidone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	103.752468729	CCC1(C(=O)NCNC1=O)c1ccccc1	InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)	C12H14N2O2	218.252	4	2	58.2	2	2	0	-1.327	0.77179	2.34	3.028	32.0879	62.8064	1.6842	206.887037123056
Cond-009722	Procaine	Procaine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	104.218362283	CCN(CC)CCOC(=O)c1ccc(N)cc1	InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3	C13H20N2O2	236.31	4	2	55.56	1	7	0	-0.0991999999999988	1.73579	2.45	2.023	42.8172	71.9464	1.9767	239.175939150523
Cond-009723	Procaterol hydrochloride hemihydrate	Procaterol hydrochloride hemihydrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	95.6610724519	CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2c1ccc(=O)[nH]2	InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1	C16H22N2O3	290.357	5	4	81.59	2	5	0	-1.9	1.93229	2.67	1.762	56.9156	84.75	2.3065	284.861202327084
Cond-009724	Procyclidine hydrochloride	Procyclidine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.6987319073	Cl.OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1	InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H	C19H30ClNO	323.901	2	1	23.47	3	5	1	-2.2201	3.5993	3.33	5.602	51.0782	86.4268000000001	2.4894	301.088401296196
Cond-009725	Progesterone	Progesterone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	57.0135746606	[C@@H]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	C21H30O2	314.462	2	0	34.14	4	1	0	0.917199999999998	4.88358000000001	3.55	4.826	91.9078	93.8540000000001	2.6215	332.017378339524
Cond-009726	Propidium iodide	Propidium iodide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	102.344714109	[I-].[I-].CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c2ccc(N)cc2c1c1ccccc1	InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1	C27H34I2N4	668.395	4	4	55.92	4	7	1	-3.8447	7.34538000000001	3.99	5.764	46.4579	137.2032	3.4907	402.78112132147
Cond-009727	Protriptyline hydrochloride	Protriptyline hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.8379267791	[Cl-].C[NH2+]CCCC1c2ccccc2C=Cc2ccccc12	InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H	C19H22ClN	299.838	1	2	16.61	3	4	1	-1.0255	2.96739	3.44	8.699	31.8706	82.8244000000001	2.2802	272.170569142834
Cond-009728	Puromycin	Puromycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	67.3557101924	COc1ccc(C[C@@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c2ncnc3N(C)C)cc1	InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15-,16-,18-,22-/m1/s1	C22H29N7O5	471.51	12	5	160.88	4	9	1	-2.3823	0.369370000000001	2.56	0.217	69.1887	129.1107	3.4221	406.779071020241
Cond-009729	Pyrocatechol violet	Pyrocatechol violet	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.013163307	Oc1c(O)cc(cc1)C1(OS(=O)(=O)c2ccccc12)c1cc(O)c(O)cc1	InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H	C19H14O7S	386.375	7	4	132.67	4	2	0	-2.5189	2.2819	2.67	2.26	22.5532	87.4562	2.5387	311.366814443396
Cond-009730	Quercetin	Quercetin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	71.1011051985	Oc1cc2c(c(O)c1)c(=O)c(O)c(o2)c1cc(O)c(O)cc1	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	C15H10O7	302.236	7	5	127.45	3	1	0	-2.8012	2.29737	2.34	1.381	28.4753	78.071	1.9632	249.566769283928
Cond-009731	Quinidine	Quinidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	81.1457301744	[C@@H]1(CN2CCC1C[C@@H]2[C@@H](O)c1c2cc(OC)ccc2ncc1)C=C	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1	C20H24N2O2	324.417	4	1	45.59	2	4	0	-0.513600000000002	3.21819000000001	3.22	2.662	52.1148	95.2858000000001	2.5512	307.005538027591
Cond-009732	RSOC0016	RSOC0016	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	95.5903845185	[C@@H]12CN3CCC4(C3C[C@@H]1C(=CO[C@H]2C)C(=O)OC)C(=O)Nc1c4cccc1	InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18?,21?/m0/s1	C21H24N2O4	368.426	6	1	67.87	5	2	0	-1.2386	2.82267	3.11	2.066	72.3059	102.1867	2.7009	340.42551735378
Cond-009733	RSOC0018	RSOC0018	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	90.1476591241	C1(C(=O)OC)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C19H24O4/c1-18-10-7-11-19(2,17(21)23-4)15(18)14(16(20)22-3)12-8-5-6-9-13(12)18/h5-6,8-9,14-15H,7,10-11H2,1-4H3/t14?,15-,18-,19+/m0/s1	C19H24O4	316.391	4	0	52.6	3	4	1	0.257399999999999	3.42779	3.11	5.249	60.2103	89.258	2.4797	311.189403788112
Cond-009734	RSOC0134	RSOC0134	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	100.18646374	C1(CO)c2c(cccc2)[C@]2(C)CCC[C@@](C)(CO)[C@H]12	InChI=1S/C17H24O2/c1-16(11-19)8-5-9-17(2)14-7-4-3-6-12(14)13(10-18)15(16)17/h3-4,6-7,13,15,18-19H,5,8-11H2,1-2H3/t13?,15-,16-,17-/m0/s1	C17H24O2	260.371	2	2	40.46	3	2	1	-0.823799999999999	2.8325	3.11	5.027	49.9683	76.1546000000001	2.1665	264.289898536856
Cond-009735	RSOC0140	RSOC0140	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	89.1498261352	C1(C(=O)OC)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12	InChI=1S/C19H24O4/c1-18-10-7-11-19(2,17(21)23-4)15(18)14(16(20)22-3)12-8-5-6-9-13(12)18/h5-6,8-9,14-15H,7,10-11H2,1-4H3/t14?,15-,18-,19+/m0/s1	C19H24O4	316.391	4	0	52.6	3	4	1	0.257399999999999	3.42779	3.11	5.249	60.2103	89.258	2.4797	311.189403788112
Cond-009736	RSOC0141	RSOC0141	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	84.8460414252	C1(C(=O)OC)c2c(cccc2)[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12	InChI=1S/C19H24O4/c1-18-10-7-11-19(2,17(21)23-4)15(18)14(16(20)22-3)12-8-5-6-9-13(12)18/h5-6,8-9,14-15H,7,10-11H2,1-4H3/t14?,15-,18+,19-/m1/s1	C19H24O4	316.391	4	0	52.6	3	4	1	0.257399999999999	3.42779	3.11	5.249	60.2103	89.258	2.4797	311.189403788112
Cond-009737	RSOC0143	RSOC0143	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	FALSE	FALSE	99.6119538376	C1(CO)c2c(cccc2)[C@]2(C)CCC[C@@](C)(CO)[C@@H]12	InChI=1S/C17H24O2/c1-16(11-19)8-5-9-17(2)14-7-4-3-6-12(14)13(10-18)15(16)17/h3-4,6-7,13,15,18-19H,5,8-11H2,1-2H3/t13?,15-,16+,17+/m1/s1	C17H24O2	260.371	2	2	40.46	3	2	1	-0.823799999999999	2.8325	3.11	5.027	49.9683	76.1546000000001	2.1665	264.289898536856
Cond-009738	RSOC0297	RSOC0297	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.167142486	C12CCC3=C(COC3=O)C1(C)CCCC2(C)C	InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3	C15H22O2	234.334	2	0	26.3	3	0	0	1.2074	3.62628	2.89	4.264	66.3689	69.421	1.9277	243.234387985922
Cond-009739	RSOC0460	RSOC0460	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	28.5751362575	C1(COC(=O)C)c2c(cccc2)C2CCC[C@@](C)(COC(=O)C)[C@@H]12	InChI=1S/C20H26O4/c1-13(21)23-11-18-16-8-5-4-7-15(16)17-9-6-10-20(3,19(17)18)12-24-14(2)22/h4-5,7-8,17-19H,6,9-12H2,1-3H3/t17?,18?,19-,20+/m1/s1	C20H26O4	330.418	4	0	52.6	3	6	1	-0.308300000000001	4.03389	3.22	5.901	63.3634	93.881	2.6206	328.485388413979
Cond-009740	Raloxifene	Raloxifene	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	s1c(c(c2c1cc(O)cc2)C(=O)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	C28H27NO4S	473.583	5	2	98.24	5	7	1	-1.5523	5.49487000000001	3.88	5.077	50.3694	136.4426	3.5359	423.12738008028
Cond-009741	Ranitidine	Ranitidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	72.0448947462	CN/C(=C\N(=O)=O)/NCCSCc1ccc(CN(C)C)o1	InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+	C13H22N4O3S	314.404	7	2	108.88	1	10	0	0.0233000000000012	0.54599	2.01	2.123	66.3721	86.9214	2.3985	288.468710325017
Cond-009742	Rapamycin	Rapamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O([C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@H]2N(CCCC2)C(=O)C(=O)[C@@]2(O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C\[C@H](C[C@H](C(=O)[C@H](OC)[C@H](O)/C(=C/[C@H](C(=O)C1)C)/C)C)C)/C)O)C)C	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12-,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38?,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	C51H79NO13	914.172	14	3	195.43	4	6	1	-1.1466	6.11925000000001	5.53	4.321	237.1376	247.300399999999	7.33600000000003	942.767418825058
Cond-009743	Raubasine	Raubasine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	104.724768319	[C@@H]12C[C@@H]3C(=CO[C@@H](C)[C@H]3CN1CCc1c2[nH]c2ccccc12)C(=O)OC	InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1	C21H24N2O3	352.427	5	1	54.56	5	2	0	-0.654400000000001	2.92107	3.22	3.069	65.5439	102.228	2.6422	320.735290653219
Cond-009744	Rauwolscine	Rauwolscine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.331847876	[C@H]12CC[C@H](O)[C@@H](C(=O)OC)[C@H]1C[C@@H]1N(CCc3c1[nH]c1ccccc31)C2	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1	C21H26N2O3	354.443	5	2	65.56	5	2	0	-1.212	2.46318	3.22	2.857	62.4654	102.5988	2.6852	323.371749354019
Cond-009745	Relomycin	Relomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.955552709	CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CCO)CC(C)C(=O)/C=C\C(=C\C1COC1OC(C)C(O)C(OC)C1OC)\C	InChI=1S/C46H79NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,18,24-30,32-33,35-45,48,50,52-55H,13,16-17,19-22H2,1-12H3/b15-14-,23-18+	C46H79NO17	918.116	18	6	241.83	4	13	3	-3.47820000000001	1.71317000000001	4.54	0.481999999999999	226.9113	234.062799999999	7.08130000000003	904.630696001969
Cond-009746	Reserpine	Reserpine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	103.90439054	[C@H]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@H]1C[C@H]1N(CCc3c1[nH]c1cc(OC)ccc31)C2	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1	C33H40N2O9	608.679	11	1	117.78	6	10	0	-0.864199999999998	3.72168000000001	3.88	2.783	103.2578	164.404	4.4476	549.862631563785
Cond-009747	Restricticin	Restrictocin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O1[C@H]([C@@H](OC(=O)CN)[C@H](OC)[C@@H](C1)C)/C(=C/C=C/C=C/CCC)/C	InChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14(2)18-19(24-16(21)12-20)17(22-4)15(3)13-23-18/h7-11,15,17-19H,5-6,12-13,20H2,1-4H3/b8-7+,10-9+,14-11+/t15-,17-,18+,19+/m1/s1	C19H31NO4	337.454	5	2	70.78	1	9	0	0.613800000000001	2.77806	3	2.79	95.9518	98.0134	2.8397	360.43554009868
Cond-009748	Resveratrol	Resveratrol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	99.0226363498	Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	C14H12O3	228.243	3	3	60.69	2	2	0	-0.9131	3.05278	2.67	3.436	18.0124	67.3716	1.7391	212.102795257417
Cond-009749	Riboflavin	Riboflavin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	60.6938190749	Cc1cc2c(cc1C)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1nc(=O)[nH]c(=O)c1n2	InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m1/s1	C17H20N4O6	376.364	10	5	155.05	3	5	0	-2.1535	-2.24819	2.23	-0.588	68.3665	98.7269	2.6285	332.892011368568
Cond-009750	Rifampicin	Rifampicin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.129285461	CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(/C=N/N1CCN(C)CC1)c2O	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	C43H58N4O12	822.94	16	6	220.15	4	5	2	-1.1263	4.99357000000001	4.43	1.964	181.6868	226.561399999999	6.21190000000002	786.533760938865
Cond-009751	Riluzole hydrochloride	Riluzole hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	51.4940646746	Nc1nc2ccc(OC(F)(F)F)cc2s1	InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)	C8H5F3N2OS	234.198	3	2	76.38	2	2	0	1.9252	3.14067	1.57	2.418	20.4424	50.3694	1.3215	157.361031228347
Cond-009752	Ro 20-1724	Ro 20-1724	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.1612771183	CCCCOc1c(OC)ccc(CC2CNC(=O)N2)c1	InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)	C15H22N2O3	278.347	5	2	59.59	2	7	0	-1.3231	1.69599	2.56	2.272	48.2871	80.2774000000001	2.2086	270.201676402017
Cond-009753	Rolipram	Rolipram	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	79.4617273844	COc1c(OC2CCCC2)cc(cc1)C1CNC(=O)C1	InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	C16H21NO3	275.343	4	1	47.56	3	4	0	-2.3028	2.85399	2.78	2.208	43.4849	79.4887000000001	2.1411	264.144442118917
Cond-009754	Rottlerin	Rottlerin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	21.8583708555	CC(=O)c1c(O)c(Cc2c(O)c(C(=O)/C=C/c3ccccc3)c3OC(C)(C)C=Cc3c2O)c(O)c(C)c1O	InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+	C30H28O8	516.539	8	5	144.52	4	6	1	-0.4521	5.38229000000001	3.88	5.124	74.9917	146.4529	3.81180000000001	481.358013167691
Cond-009755	SP600125	SP600125	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O=c1c2c3c(n[nH]c3ccc2)c2c1cccc2	InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	C14H8N2O	220.226	3	1	45.75	4	0	0	-0.6842	2.71438	2.67	3.628	8.646	70.341	1.5611	178.266486170228
Cond-009756	Salbutamol	Salbutamol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	103.651187522	CC(C)(C)NCC(O)c1cc(CO)c(O)cc1	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	C13H21NO3	239.311	4	4	72.72	1	5	0	-0.794900000000001	1.0507	2.45	1.173	43.3166	67.8963000000001	1.9786	239.605864343717
Cond-009757	Salicylate	Salicylate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	57.4396234138	OC(=O)c1c(O)cccc1	InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)	C7H6O3	138.121	3	2	57.53	1	1	0	-0.7001	1.05879	1.9	2.264	9.7839	38.0876	0.990400000000001	122.19673767955
Cond-009758	Scopolamine	Scopolamine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	105.058996303	CN1(=O)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13-,14+,15-,16+,18?	C17H21NO5	319.352	6	0	55.9	4	5	0	NA	-0.0630400000000002	2.67	NA	NA	65.0285	2.1006	NA
Cond-009759	Sennoside A	Sennoside A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	75.1631497423	[C@H]1(c2c(C(=O)c3c1cc(cc3O)C(=O)O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)ccc2)[C@@H]1c2c(C(=O)c3c1cc(cc3O)C(=O)O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)ccc2	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1	C42H38O20	862.739	20	12	347.96	8	9	2	-6.3452	-0.289229999999991	3.88	0.662000000000001	107.6642	208.0053	5.64360000000001	726.157338179221
Cond-009760	Sennoside B	Sennoside B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.1082247784	[C@@H]1(c2c(C(=O)c3c1cc(cc3O)C(=O)O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)ccc2)[C@@H]1c2c(C(=O)c3c1cc(cc3O)C(=O)O)c(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)ccc2	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41?,42-/m1/s1	C42H38O20	862.739	20	12	347.96	8	9	2	-6.3452	-0.289229999999991	3.88	0.662000000000001	107.6642	208.0053	5.64360000000001	726.157338179221
Cond-009761	Serotonine	Serotonine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	104.258874766	NCCc1c[nH]c2c1cc(O)cc2	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	C10H12N2O	176.215	3	4	62.04	2	2	0	-1.3634	1.26339	2.23	0.547	19.2507	55.5734	1.3867	155.241299871561
Cond-009762	Siccanin	Siccanin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.0772383758	[C@@H]12[C@H]3OC[C@@]41CCCC(C)(C)[C@@H]4CC[C@]2(C)Oc1cc(C)cc(O)c31	InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22-/m0/s1	C22H30O3	342.472	3	1	38.69	5	0	1	0.716499999999999	4.94952000000001	3.55	5.425	72.5943	97.6590000000001	2.7125	334.847130965152
Cond-009763	Sigmamycin(Oleandomycin)	Sigmamycin(Oleandomycin)	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.1571837904	[C@@H]1(C[C@H](OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]1C	InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1	C35H61NO12	687.858	13	3	165.98	4	6	1	-2.2231	2.14239000000001	3.88	0.696	169.0822	176.8664	5.32390000000001	675.696649016232
Cond-009764	Silibinin	Silibinin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.649938297	COc1cc(ccc1O)[C@H]1Oc2c(O[C@@H]1CO)ccc(c2)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1	C25H22O10	482.436	10	5	155.14	5	4	0	-3.3761	2.14968	3.11	0.66	48.5708	122.976	3.24510000000001	408.01146084108
Cond-009765	Simvastatin	Simvastatin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	44.6814453671	[C@H]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1	C25H38O5	418.566	5	1	72.83	3	7	0	1.0638	4.67187000000001	3.66	4.775	111.4563	118.1578	3.4268	437.291996944675
Cond-009766	Sodium butyrate	Sodium Butyrate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	[Na+].OCCCC(=O)[O-]	InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1	C4H7NaO3	126.086	3	1	60.36	0	3	0	-1.6195	-1.25731	1.57	-1.082	19.6791	24.5698	0.7838	100.15638925475
Cond-009767	Sodium vanadite	Sodium vanadite	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	[V].[V].[V].[V].[Na+].[Na+].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]	InChI=1S/2Na.7H2O.9O.4V/h;;7*1H2;;;;;;;;;;;;;/q2*+1;;;;;;;;9*-2;;;;	Na2O16V4----------------	505.736	16	0	0	0	0	1	NA	-7.9028	-0.96	NA	NA	10.984	1.9888	NA
Cond-009768	Spectinomycin	Spectinomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.42031701	CN[C@@H]1[C@H](O)[C@H](NC)C2O[C@]3(O)C(O[C@H](C)CC3=O)OC2[C@H]1O	InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11?,12?,13?,14+/m1/s1	C14H24N2O7	332.35	9	5	129.51	3	2	0	-2.8577	-2.69171	2.01	-1.913	75.6018	79.6068	2.3229	294.519515979995
Cond-009769	Spiramycin I	Spiramycin I	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	101.504025928	CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC2CC[C@@H](C(C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1OC(C)[C@H](O[C@H]2CC(C)(O)[C@@H](O)C(C)O2)C(C1O)N(C)C	InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30+,31-,32+,34?,35+,36?,37?,38+,39+,40+,41+,42+,43?/m1/s1	C43H74N2O14	843.053	16	4	195.38	4	11	2	-2.2778	2.41137000000001	4.43	1.929	212.9184	219.589199999999	6.58230000000002	837.368822230852
Cond-009770	Spironolactone	Spironolactone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.933559528	[C@@H]12CC[C@]3(CCC(=O)O3)[C@@]1(C)CC[C@H]1[C@H]2[C@@H](CC2=CC(=O)CC[C@]12C)SC(=O)C	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24-/m0/s1	C24H32O4S	416.573	4	0	85.74	5	2	0	1.4012	5.01238000000001	3.55	3.445	112.217	115.183	3.1735	405.001892274247
Cond-009771	Streptomycin	Streptomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.078644857	CNC1[C@@H](O)[C@@H](O)C(CO)O[C@H]1O[C@@H]1[C@H](O[C@@H]2C(O)[C@@H](O)C(NC(=N)N)C(O)[C@@H]2NC(=N)N)O[C@@H](C)C1(O)C=O	InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6?,7?,8-,9?,10-,11?,12-,13+,14?,15-,16+,17-,18-,21?/m0/s1	C21H39N7O12	581.574	19	16	331.43	3	11	3	-5.8504	-7.50786999999999	1.68	-3.511	122.1623	134.6419	4.01570000000001	509.253425503103
Cond-009772	Streptozocin	Streptozocin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	103.3473439	CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1	C8H15N3O7	265.221	10	5	159.76	0	9	0	-2.4582	-3.5624	1.24	-3.47	56.5774	55.8149	1.8171	233.536827133761
Cond-009773	Strychnine	Strychnine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.5697451006	O=C1CC2OCC=C3CN4CC[C@@]56C4C[C@@H]3[C@@H]2C5N1c1c6cccc1	InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17?,19-,20?,21+/m0/s1	C21H22N2O2	334.412	4	0	32.78	7	0	0	-0.784099999999999	2.77967	3.33	1.731	67.8364	96.806	2.4093	300.768605251857
Cond-009774	Sulconazole nitrate salt	Sulconazole nitrate salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.5487453723	ON(=O)=O.Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1	InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)	C18H16Cl3N3O3S	460.762	2	0	43.12	3	6	1	2.8095	6.24259	2.78	5.813	40.3606	103.684	2.7053	315.158884042835
Cond-009775	Sulfabenzamide	Sulfabenzamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.2743691559	Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1	InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)	C13H12N2O3S	276.311	5	3	97.64	2	4	0	-1.8099	1.86978	2.23	2.872	20.3052	70.6661	1.9613	235.309355105484
Cond-009776	Sulfacetamide	Sulfacetamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.5594978865	CC(=O)NS(=O)(=O)c1ccc(N)cc1	InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)	C8H10N2O3S	214.242	5	3	97.64	1	3	0	-1.8	0.84138	1.68	0.126	25.7296	50.7961	1.4944	179.99526677935
Cond-009777	Sulfachloropyridazine	Sulfachloropyridazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	96.159856539	Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1	InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)	C10H9ClN4O2S	284.722	6	3	106.35	2	3	0	-1.1527	2.62698	1.68	1.691	21.4659	64.6441	1.8449	214.472221414889
Cond-009778	Sulfadiazine	Sulfadiazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	97.9223773537	Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)	C10H10N4O2S	250.277	6	3	106.35	2	3	0	-1.6864	1.97358	1.79	0.74	15.3637	59.6341	1.7225	199.261153644456
Cond-009779	Sulfadimethoxine	Sulfadimethoxine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.7945433585	COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1	InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)	C12H14N4O4S	310.329	8	3	124.81	2	5	0	-1.79	2.80116	1.79	0.852	29.9953	74.8201	2.1217	251.433576297312
Cond-009780	Sulfamerazine	Sulfamerazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.4575381068	Cc1nc(NS(=O)(=O)c2ccc(N)cc2)ncc1	InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)	C11H12N4O2S	264.304	6	3	106.35	2	3	0	-1.2469	2.4615	1.9	1.237	21.0962	64.5811	1.8634	216.557138270323
Cond-009781	Sulfameter	Sulfameter	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.3472524657	COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)	C11H12N4O3S	280.303	7	3	115.58	2	4	0	-1.7382	1.98218	1.79	0.296	22.6795	66.1861	1.9221	225.347364970884
Cond-009782	Sulfamethazine	Sulfamethazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	81.3833738952	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1	InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)	C12H14N4O2S	278.33	6	3	106.35	2	3	0	-0.8074	2.94942	2.01	1.734	26.8287	69.5281	2.0043	233.853122896189
Cond-009783	Sulfamethoxypyridazine	Sulfamethoxypyridazine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	94.5920327911	COc1nnc(NS(=O)(=O)c2ccc(N)cc2)cc1	InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)	C11H12N4O3S	280.303	7	3	115.58	2	4	0	-1.7382	2.38737	1.79	1.266	22.6795	67.2271	1.9221	225.347364970884
Cond-009784	Sulfamonomethoxine	Sulfamonomethoxine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.5196618419	COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1	InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)	C11H12N4O3S	280.303	7	3	115.58	2	4	0	-1.7382	2.38737	1.79	0.801	22.6795	67.2271	1.9221	225.347364970884
Cond-009785	Sulfaphenazole	Sulfaphenazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.5497630332	Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1	InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	C15H14N4O2S	314.362	6	3	97.87	3	4	0	-1.6732	3.79867	2.34	3.016	18.2617	82.6491	2.2324	257.21170067139
Cond-009786	Sulfapyridine	Sulfapyridine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.4654796977	Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1	InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)	C11H11N3O2S	249.289	5	3	93.46	2	3	0	-1.6864	2.57858	2.01	1.676	15.3637	61.8391	1.7636	205.560378062156
Cond-009787	Sulfaquinoxaline sodium salt	Sulfaquinoxaline sodium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	87.9781982723	[Na].Nc1ccc(cc1)S(=O)(=O)Nc1nc2c(cccc2)nc1	InChI=1S/C14H12N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2,(H,17,18);	C14H12N4NaO2S	323.325	6	3	106.35	3	3	0	-1.6864	3.53197	2.23	2.082	15.3637	78.1811	2.0915	239.915716045523
Cond-009788	Sulfathiazole	Sulfathiazole	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.1556295632	Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)	C9H9N3O2S2	255.317	5	3	121.7	2	3	0	-1.0958	2.64008	1.68	0.999	23.1572	59.7161	1.6883	192.113891568823
Cond-009789	Sulfonazo III	Sulfonazo III	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	105.841217606	Oc1c(/N=N/c2c(cccc2)S(=O)(=O)O)c(cc2cc(c(/N=N/c3c(cccc3)S(=O)(=O)O)c(O)c12)S(=O)(=O)O)S(=O)(=O)O	InChI=1S/C22H16N4O14S4/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)/b25-23+,26-24+	C22H16N4O14S4	688.641	18	6	340.9	4	8	2	-3.0866	7.99086	1.46	0.542	48.8068	147.65	4.09000000000001	502.85463342719
Cond-009790	Sulforhodamine 101	Sulforhodamine 101	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	151.624845743	OS(=O)(=O)c1cc(c(cc1)c1c2cc3CCCN4CCCc(c2[o+]c2c5CCCN6CCCc(cc12)c56)c34)S(=O)(=O)[O-]	InChI=1S/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)	C31H30N2O7S2	606.709	9	2	134.81	8	3	0	-2.5904	7.24185000000001	3.66	2.147	75.3138	155.4812	4.1367	508.67711027413
Cond-009791	Sulindac	Sulindac	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.7097830536	CC1=C(CC(=O)O)c2c(ccc(F)c2)/C/1=C\c1ccc(cc1)S(=O)C	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	C20H17FO3S	356.411	3	1	73.58	3	4	0	0.8466	4.99077	3.11	4.258	49.9819	98.3543000000001	2.5711	322.825909818124
Cond-009792	Suramin	Suramin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	89.5863487469	Cc1c(NC(=O)c2cc(NC(=O)Nc3cccc(c3)C(=O)Nc3c(C)ccc(c3)C(=O)Nc3c4c(cc(cc4c(cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)ccc2)cc(cc1)C(=O)Nc1ccc(c2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	C51H40N6O23S6	1297.28	29	12	534.03	8	22	3	-5.1319	15.97519	3.22	1.052	116.2292	309.395	8.19460000000002	1012.62553979951
Cond-009793	Tamoxifen	Tamoxifen	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	25.240598258	CC/C(=C(\c1ccccc1)/c1ccc(OCCN(C)C)cc1)/c1ccccc1	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	C26H29NO	371.515	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-009794	Taxol	Taxol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O1[C@H]2[C@](OC(=O)C)([C@@H]3[C@@]([C@@H](O)C2)(C(=O)[C@H](OC(=O)C)C2=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@H]3OC(=O)c3ccccc3)C2(C)C)C)C)C1	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	C47H51NO14	853.906	15	4	221.29	7	15	3	-2.0643	3.28918000000001	4.98	6.152	137.1334	219.663599999999	6.20430000000002	794.149120014154
Cond-009795	Terbutaline	Terbutaline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	91.5569724393	CC(C)(C)NCC(O)c1cc(O)cc(O)c1	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3	C12H19NO3	225.284	4	4	72.72	1	4	0	-0.806500000000001	1.54879	2.34	0.801	38.6044	64.1283000000001	1.8377	222.30987971785
Cond-009796	Tetracaine hydrochloride	Tetracaine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.7415140259	Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C	InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H	C15H25ClN2O2	300.824	4	1	41.57	1	9	0	-0.783599999999998	2.58539	2.67	2.917	49.7416	81.6977	2.2585	273.767908402256
Cond-009797	Tetracycline	Tetracycline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	76.9817635912	CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c1c(O)cccc1[C@@]3(C)O	InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10?,15-,21+,22-/m0/s1	C22H24N2O8	444.435	10	7	181.62	4	2	1	-3.366	-0.46923	2.78	0.13	86.5042	111.4659	3.0992	399.965950081091
Cond-009798	Thalidomide	Thalidomide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.7286667686	O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12	InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)	C13H10N2O4	258.23	6	1	83.55	3	1	0	-1.9269	0.32169	2.23	0.697	35.5496	66.3567	1.7479	224.134099047645
Cond-009799	Theophylline	Theophylline	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	80.7818256242	Cn1c2c([nH]cn2)c(=O)n(C)c1=O	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	C7H8N4O2	180.164	6	1	69.3	2	0	0	-0.967	-0.46201	1.57	-0.435	29.5775	47.934	1.2223	145.037093110856
Cond-009800	Thiacetazone	Thiacetazone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.2299465241	CC(=O)Nc1ccc(/C=N/NC(=S)N)cc1	InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+	C10H12N4OS	236.293	5	4	111.6	1	5	0	-0.3877	1.64608	1.9	2.31	38.3504	71.7468	1.7724	213.727385644695
Cond-009801	Thiamine hydrochloride	Thiamine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	90.250925545	Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N	InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1	C12H18Cl2N4OS	337.269	5	3	104.15	2	4	0	-1.8375	1.97943	2.12	0.635	38.5474	72.9662	2.0101	229.017584246828
Cond-009802	Thioflavin T	Thioflavin T	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	14.3562320033	[Cl-].CN(C)c1ccc(cc1)c1[n+](C)c2c(s1)cc(C)cc2	InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1	C17H19ClN2S	318.864	2	0	35.36	3	2	0	0.1088	4.73551	3	4.538	33.2837	90.5310000000001	2.2617	256.184384156867
Cond-009803	Thiothixene	Thiothixene	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.5600102472	CN(C)S(=O)(=O)c1cc2c(Sc3ccccc3/C/2=C/CCN2CCN(C)CC2)cc1	InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-	C23H29N3O2S2	443.625	5	0	77.54	4	5	0	0.0295999999999998	3.80188000000001	3.22	3.216	77.3923	118.147	3.3577	404.271841527758
Cond-009804	Thiothixene	Tiothixene	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	61.8194842407	CN(C)S(=O)(=O)c1cc2c(Sc3ccccc3/C/2=C/CCN2CCN(C)CC2)cc1	InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-	C23H29N3O2S2	443.625	5	0	77.54	4	5	0	0.0295999999999998	3.80188000000001	3.22	3.216	77.3923	118.147	3.3577	404.271841527758
Cond-009805	Timolol	Timolol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	106.912442396	CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m1/s1	C13H24N4O3S	316.42	7	2	107.98	2	7	0	0.467699999999999	1.00329	2.01	0.254	70.9659	84.2595000000001	2.3759	281.385169025818
Cond-009806	Timosaponin A-III	Timosaponin A-III	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	11.162743455	[C@H]12C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H](C)[C@@]1(CC[C@H](C)CO1)O2)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34?,35-,36+,37-,38-,39+/m0/s1	C39H64O13	740.918	13	7	196.99	8	6	2	-3.15299999999999	1.44220000000001	4.32	4.661	176.3429	182.9916	5.49800000000002	698.521136610492
Cond-009807	Tipepidine	Tipepidine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	106.568086292	CN1CCCC(=C(c2cccs2)c2cccs2)C1	InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3	C15H17NS2	275.432	1	0	59.72	3	2	0	1.1709	4.15439	2.78	3.543	49.2615	80.3290000000001	2.1081	243.959366805767
Cond-009808	Tolazamide	Tolazamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	82.3544348798	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1	InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)	C14H21N3O3S	311.4	6	2	86.89	2	5	0	-1.5265	1.6054	2.23	3.191	48.0551	77.5264	2.331	282.411476041918
Cond-009809	Tolbutamide	Tolbutamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	55.6613595389	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)	C12H18N2O3S	270.348	5	2	83.65	1	7	0	-0.924	1.6145	2.12	2.68	40.5204	67.2604	2.058	249.179205282817
Cond-009810	Tolfenamic acid	Tolfenamic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	60.8069681055	Cc1c(Cl)cccc1Nc1c(cccc1)C(=O)O	InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)	C14H12ClNO2	261.704	3	2	49.33	2	3	0	0.7261	4.43301	2.56	4.573	21.637	75.3065	1.9026	229.520396535456
Cond-009811	Tolnaftate	Tolnaftate	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	74.169335212	CN(C(=S)Oc1cc2ccccc2cc1)c1cc(C)ccc1	InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3	C19H17NOS	307.409	2	0	44.56	3	4	1	1.5594	5.6958	3.22	8.242	27.9825	98.144	2.3949	281.978673148995
Cond-009812	Tolperisone	Tolperisone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	108.674735403	CC(CN1CCCCC1)C(=O)c1ccc(C)cc1	InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3	C16H23NO	245.36	2	0	20.31	2	4	0	-0.143	2.98771	3	4.094	45.9716	76.8890000000001	2.1323	258.920447418595
Cond-009813	Tomatine	Tomatine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	97.491994364	C[C@H]1[C@@]2(C)CCC3C(CCC4C[C@H](CC[C@]34C)O[C@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3O)C2O[C@]21CC[C@H](C)CN2	InChI=1S/C47H79NO21/c1-19-7-12-47(48-14-19)20(2)45(3)11-9-24-23(40(45)69-47)6-5-21-13-22(8-10-46(21,24)4)62-41-35(59)33(57)37(28(17-51)65-41)66-43-36(60)38(31(55)27(16-50)64-43)67-44-39(29(53)25(52)18-61-44)68-42-34(58)32(56)30(54)26(15-49)63-42/h19-44,48-60H,5-18H2,1-4H3/t19-,20-,21?,22-,23?,24?,25+,26+,27+,28+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,40?,41-,42+,43+,44+,45+,46-,47-/m0/s1	C47H79NO21	994.124	22	13	337.86	9	11	3	-6.58939999999999	-3.33339999999999	4.21	-0.891000000000002	225.2903	232.705299999999	7.08600000000003	905.85112872928
Cond-009814	Triamcinolone acetonide	Triamcinolone acetonide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	106.598470654	[C@@H]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@H]2CCC2=CC(=O)C=C[C@]12C	InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1	C24H31FO6	434.498	6	2	93.06	5	2	0	-0.659900000000003	2.50507	3.33	1.224	110.5159	111.3016	3.1451	410.140880468076
Cond-009815	Triamterene	Triamterene	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	62.8526446764	Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1	InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)	C12H11N7	253.263	7	6	129.62	3	1	0	-2.2497	2.09737	2.01	1.366	12.6663	77.8082	1.8282	202.224549959567
Cond-009816	Trichlormethiazide	Trichlormethiazide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.270782631	NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl	InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)	C8H8Cl3N3O4S2	380.656	7	4	135.12	2	2	0	-0.2173	2.41569	1.02	-0.0429999999999999	49.7582	71.7918	2.118	254.204481056978
Cond-009817	Trimebutine	Trimebutine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	93.5726038667	CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1	InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3	C22H29NO5	387.469	6	0	57.23	2	10	0	-0.538699999999998	3.36359	3.22	4.595	58.356	110.722	3.0835	379.047885873641
Cond-009818	Trypan blue	Trypan blue	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	110.941999177	[Na+].[Na+].[Na+].[Na+].Cc1c(ccc(c1)c1cc(C)c(cc1)/N=N/c1c(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1c(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]	InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;	C34H24N6Na4O14S4	960.805	20	6	404.26	6	9	1	-6.0136	7.52389999999998	2.56	2.124	59.144	181.2247	5.46220000000001	667.431841046722
Cond-009819	Tubercidin	Tubercidin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	129.249935115	Nc1c2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1	InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1	C11H14N4O4	266.253	8	5	126.65	3	2	0	-2.2791	-0.85101	1.79	-1.263	34.5164	66.5198	1.7947	208.545026314645
Cond-009820	Tuberin	Tuberin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.8350388866	COc1ccc(/C=C/NC=O)cc1	InChI=1S/C10H11NO2/c1-13-10-4-2-9(3-5-10)6-7-11-8-12/h2-8H,1H3,(H,11,12)/b7-6+	C10H11NO2	177.2	3	1	38.33	1	4	0	-0.8087	1.46308	2.23	1.909	25.67	53.4087	1.4112	173.654766363956
Cond-009821	Tunicamycin	Tunicamycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O1[C@@H]([C@H](O)[C@H](O)[C@@H](NC(=O)/C=C/CCCCCCCCCCC(C)C)[C@@H]1O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)C[C@@H](O)[C@H]1O[C@@H](n2c(=O)[nH]c(=O)cc2)[C@H](O)[C@@H]1O	InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1	C39H64N4O16	844.943	20	11	306.37	4	23	3	-7.813	-1.65913	3.55	3.01	186.3087	207.7225	6.24970000000002	802.485940143242
Cond-009822	Tyrocidine B	Tyrocidine B	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	39.3368808842	CC(C)CC(NC(=O)C(CCC=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CC(=O)N)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C=O	InChI=1S/C68H88N14O13/c1-39(2)31-52(77-61(88)50(21-13-29-69)76-67(94)59(40(3)4)81-65(92)53(33-43-23-25-46(84)26-24-43)78-62(89)51(27-28-57(71)85)75-60(87)48(70)36-58(72)86)64(91)80-55(34-42-17-9-6-10-18-42)68(95)82-30-14-22-56(82)66(93)79-54(35-44-37-73-49-20-12-11-19-47(44)49)63(90)74-45(38-83)32-41-15-7-5-8-16-41/h5-12,15-20,23-26,29,37-40,45,48,50-56,59,69,73,84H,13-14,21-22,27-28,30-36,70H2,1-4H3,(H2,71,85)(H2,72,86)(H,74,90)(H,75,87)(H,76,94)(H,77,88)(H,78,89)(H,79,93)(H,80,91)(H,81,92)/t45-,48+,50?,51+,52?,53+,54+,55-,56+,59+/m1/s1	C68H88N14O13	1309.51	27	17	442.25	6	46	4	-9.796	0.969650000000007	5.97	6.425	221.4713	357.5923	10.0805	1255.72432485577
Cond-009823	UK-2A	UK-2A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	102.962475313	COc1c(O)c(ncc1)C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O	InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1	C26H30N2O9	514.524	11	2	150.35	3	9	0	-0.704399999999999	2.04329	3.11	4.566	80.3893	131.818	3.7441	474.123656584319
Cond-009824	Ubiquinone-10	Ubiquinone-10	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	85.4310234405	COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36-,51-38+,52-40+,53-42+	C59H90O4	863.344	4	0	52.6	1	31	2	12.6288	17.20207	7.51	18.454	287.7956	274.727999999999	7.94590000000003	1014.91357791717
Cond-009825	Ursodesoxycholic acid	Ursodesoxycholic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	29.1003275691	[C@@H]12CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@H]1[C@H]2[C@@H](O)C[C@@H]2C[C@H](O)CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1	C24H40O4	392.572	4	3	77.76	4	4	1	0.106699999999992	4.71179000000001	3.66	6.178	104.1515	111.8904	3.2476	406.758703019847
Cond-009826	Valinomycin	Valinomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	98.6782802451	CC(C)[C@H]1NC(=O)C(OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42?/m0/s1	C54H90N6O18	1111.32	24	6	332.4	1	9	3	-0.930599999999996	2.57719000000001	4.76	8.031	268.3791	284.671199999999	8.74800000000003	1122.7503072463
Cond-009827	Valproic acid	Valproic acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	100.460829493	CCCC(CCC)C(=O)O	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	C8H16O2	144.211	2	1	37.3	0	5	0	-0.3467	2.52129	2.12	2.742	37.3651	44.1848	1.3102	161.868330408056
Cond-009828	Valproic acid	Valproic Acid	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	100.460829493	CCCC(CCC)C(=O)O	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	C8H16O2	144.211	2	1	37.3	0	5	0	-0.3467	2.52129	2.12	2.742	37.3651	44.1848	1.3102	161.868330408056
Cond-009829	Vancomycin	Vancomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	101.169797944	CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2cc(Cl)c(Oc3cc4cc(Oc5c(Cl)cc(cc5)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)C4NC(=O)[C@H](CC(=O)N)NC1=O)c1ccc(O)c(c1)c1c(cc(O)cc1O)[C@H](NC5=O)C(=O)O)c3O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@H]1C[C@](C)(N)[C@H](O)C(C)O1)cc2	InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24?,34-,35+,42?,44+,46-,47?,48+,49?,50+,51-,52-,53-,54+,56?,57-,65+,66+/m1/s1	C66H75Cl2N9O24	1449.25	33	21	530.49	8	14	3	-9.7758	0.109870000000005	4.87	-0.372999999999998	218.1804	356.3359	9.88480000000003	1251.74672510945
Cond-009830	Veratramine	Veratramine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)Cc1c3ccc(c1C)[C@@H]([C@@H]1NC[C@H](C[C@H]1O)C)C	InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1	C27H39NO2	409.604	3	3	52.49	5	2	1	0.380000000000001	4.24031000000001	4.1	6.488	96.9889	120.4053	3.4151	420.897128901292
Cond-009831	Vinblastine	Vinblastine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	93.7609507123	[C@@H]12N3CC[C@]41c1c(cc(OC)c(c1)[C@]1(CC5CN(C[C@](O)(CC)C5)CCc5c1[nH]c1c5cccc1)C(=O)OC)N(C)[C@H]4[C@](O)([C@H](C(=O)OC)[C@]2(CC)C=CC3)C(=O)OC	InChI=1S/C46H58N4O9/c1-8-42(54)23-27-24-45(40(52)58-6,36-29(15-19-49(25-27)26-42)28-13-10-11-14-32(28)47-36)31-21-30-33(22-34(31)56-4)48(3)39-44(30)17-20-50-18-12-16-43(9-2,38(44)50)35(37(51)57-5)46(39,55)41(53)59-7/h10-14,16,21-22,27,35,38-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t27?,35-,38+,39-,42+,43+,44-,45+,46-/m1/s1	C46H58N4O9	810.974	13	3	154.1	9	10	1	-1.9573	4.78166000000001	5.09	4.103	163.3526	226.644599999999	6.06710000000002	754.361658612382
Cond-009832	Vincristine	Vincristine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O([C@@H]1[C@]2([C@@H]3N(CC[C@@]43[C@@H](N(c3c4cc(c(OC)c3)[C@]3(C[C@H]4C[C@](O)(CN(C4)CCc4c3[nH]c3c4cccc3)CC)C(=O)OC)C=O)[C@@]1(O)C(=O)OC)CC=C2)CC)C(=O)C	InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1	C46H56N4O10	824.958	14	3	171.17	9	11	2	-2.7746	4.45076000000001	4.98	3.564	163.0558	226.832599999999	6.08280000000002	760.515426612143
Cond-009833	Viomycin	Viomycin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	68.8190749079	NCCCC(N)CC(=O)NC1CNC(=O)[C@H](NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CO)NC(=O)C(CO)NC1=O)C1C[C@H](O)NC(=N1)N	InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10?,11?,12?,14?,15?,17-,18+/m0/s1	C25H43N13O10	685.69	23	19	392.86	2	12	3	-9.7786	-9.46093	1.68	-4.056	146.1212	167.2986	4.91130000000001	623.375178350446
Cond-009834	Warfarin	Warfarin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	92.1634430639	CC(=O)CC(c1ccccc1)c1c(O)c2c(oc1=O)cccc2	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3	C19H16O4	308.328	4	1	63.6	3	4	1	-0.732	4.18957	3.11	5.519	36.095	90.3488000000001	2.3077	289.743568984912
Cond-009835	Wortmannin	Wortmannin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	NA	O([C@H]1C2=C(C3[C@](C1)(C(=O)CC3)C)C(=O)c1occ3c1[C@@]2([C@H](OC3=O)COC)C)C(=O)C	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12?,13-,15-,22+,23+/m1/s1	C23H24O8	428.432	8	0	109.11	5	4	0	-0.152100000000002	2.43098	3.11	-0.375	90.9124	107.2565	2.9749	385.548414290624
Cond-009836	Xanthosine	Xanthosine	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	98.0460715755	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(O)nc2O	InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1	C10H12N4O6	284.225	10	5	153.98	3	2	0	-2.4498	-1.25642	1.46	-2.21	35.4235	65.6512	1.7712	208.8294950899
Cond-009837	Xanthotoxin	Xanthotoxin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	25.4623261501	COc1c2oc(=O)ccc2cc2c1occ2	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	C12H8O4	216.19	4	0	48.67	3	1	0	0.0640999999999999	3.42636	2.34	1.69	25.4701	63.738	1.4504	176.581052706245
Cond-009838	Xylometazoline hydrochloride	Xylometazoline hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	95.9241706161	Cl.Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C	InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H	C16H25ClN2	280.836	2	1	24.39	2	3	1	2.1974	2.48203	3	5.782	52.6164	77.2457	2.1734	261.126980926201
Cond-009839	Yohimbine hydrochloride	Yohimbine hydrochloride	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	84.8264378122	Cl.COC(=O)C1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5c4cccc5)[C@@H]3C[C@H]12	InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19?;/m0./s1	C21H27ClN2O3	390.904	5	2	65.56	5	2	0	-1.212	2.46318	3.22	2.857	62.4654	102.5988	2.6852	323.371749354019
Cond-009840	Z-Capsaicin	Z-Capsaicin	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	74.1199345068	N(Cc1cc(OC)c(O)cc1)C(=O)CCCC/C=C\C(C)C	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-	C18H27NO3	305.412	4	2	58.56	1	10	0	-0.380199999999998	3.61018000000001	3	4.233	61.4447	91.1685000000001	2.5971	320.812870071451
Cond-009841	Zaprinast	Zaprinast	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	88.0884158821	CCCOc1ccccc1c1nc2c(nn[nH]2)c(=O)[nH]1	InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)	C13H13N5O2	271.275	7	2	92.26	3	4	0	-1.3997	0.799380000000001	2.12	2.191	32.0817	76.5427	1.9299	228.643926271023
Cond-009842	all trans-Retinal	all trans-Retinal	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.0654051831	C/C(=C\C=O)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+	C20H28O	284.436	1	0	17.07	1	5	1	3.9345	5.58174000000001	3.55	6.335	95.7048	94.0830000000001	2.6187	335.091167013096
Cond-009843	alpha-Glucosylrutin	alpha-Glucosylrutin	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	102.018740002	[C@H]1(O[C@@H]2[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H](Oc3c(oc4c(c(O)cc(O)c4)c3=O)c3cc(O)c(O)cc3)C(O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C33H40O21/c1-9-19(39)22(42)25(45)31(49-9)48-8-17-29(53-32-26(46)23(43)20(40)16(7-34)51-32)24(44)27(47)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-27,29,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27?,29+,31+,32+,33-/m0/s1	C33H40O21	772.658	21	13	344.67	6	9	2	-7.8859	-3.76813	2.78	-2.725	124.6239	174.1494	4.99540000000001	646.888290254982
Cond-009844	alpha-Tocopherol nicotinate	alpha-Tocopherol nicotinate	10-ug/ml	RIKEN NPDepo	RIKEN_NPD	TRUE	TRUE	FALSE	106.851673672	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(O1)c(C)c(C)c(OC(=O)c1cccnc1)c2C	InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1	C35H53NO3	535.8	4	0	48.42	3	15	2	3.6627	9.98704999999999	4.87	12.395	108.5538	166.306	4.6892	573.958773907985
Cond-009845	beta-Estradiol	beta-Estradiol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	NA	O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)c2c(CC3)cc(O)cc2)CC1)C	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	C18H24O2	272.382	2	2	40.46	4	0	0	-0.4699	3.97979000000001	3.22	4.646	52.5961	81.1498000000001	2.1988	269.229424461923
Cond-009846	beta-Estradiol 3,17-disulfate dipotassium salt	ƒÀ-Estradiol 3,17-disulfate dipotassium salt	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	FALSE	86.5578127967	[K].S(=O)(=O)(O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)c2c(CC3)cc(OS(=O)(=O)O)cc2)CC1)C)O	InChI=1S/C18H24O8S2.K/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24;/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24);/t14-,15-,16+,17+,18+;/m1./s1	C18H24KO8S2	471.607	8	2	143.96	4	4	0	-0.5675	4.50699000000001	2.34	2.052	72.0061	95.3976000000001	2.878	358.988832780491
Cond-009847	cis-Androsterone	cis-Androsterone	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	50.1944330741	O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1	C19H30O2	290.44	2	1	37.3	4	0	0	0.238700000000002	4.19299000000001	3.33	4.3	79.7557	85.9838000000001	2.4257	302.69832648939
Cond-009848	gamma-Oryzanol	gamma-Oryzanol	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	93.192148498	COc1c(O)ccc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@@]53CC[C@]3(C)[C@H](CC[C@@]3(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)c1	InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27?,29-,32?,33?,34+,37-,38+,39-,40+/m1/s1	C40H58O4	602.886	4	1	55.76	6	9	1	3.5158	10.12477	5.42	13.972	153.9279	180.196799999999	5.06980000000001	634.699246128111
Cond-009849	niclosamide	niclosamide	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	FALSE	FALSE	12.3478929166	Oc1ccc(Cl)cc1C(=O)Nc1c(Cl)cc(cc1)N(=O)=O	InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)	C13H8Cl2N2O4	327.12	6	2	92.47	2	4	0	1.0536	4.28698	2.01	3.7	25.1273	84.3145	2.0583	253.376234588512
Cond-009850	trichostatin A	trichostatin A	10-ug/ml	RIKEN NPDepo	RIKEN_Clinical+	TRUE	TRUE	TRUE	NA	O=C([C@@H](/C=C(\C)/C=C/C(=O)NO)C)c1ccc(N(C)C)cc1	InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	C17H22N2O3	302.368	5	2	69.64	1	7	0	0.429	2.66557	2.78	2.144	63.8417	89.7927000000001	2.47	309.240728252151
Cond-009851	GI261520A	GI261520A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	23.7951560496621	Cl.COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	NA	C22H20ClN3O2	393.866	5	1	56.27	4	6	1	-0.6147	6.03197	3.33	6.098	16.9471	108.1577	2.7178	317.611973983491
Cond-009852	GI98581X	GI98581X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	7.61025930926139	c1(c(c2ccc(cc2)F)nc2n1CCS2)c1ccncc1	InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2	C16H12FN3S	297.35	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474
Cond-009853	GI98581X	GI98581X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	63.1521410668895	c1(c(c2ccc(cc2)F)nc2n1CCS2)c1ccncc1	InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2	C16H12FN3S	297.35	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474
Cond-009854	GR105659X	GR105659X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	23.1543638663642	Oc1ccc2c(CC/C/2=C\2/C(=O)Nc3ccccc23)c1	InChI=1S/C17H13NO2/c19-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)18-17(16)20/h1-4,6,8-9,19H,5,7H2,(H,18,20)/b16-13-	C17H13NO2	263.291	3	2	49.33	4	0	0	-0.8937	3.74367	3	3.657	27.6153	79.9455	1.9427	238.847906540223
Cond-009855	GR269666A	GR269666A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.7744663545896	Cl.C(c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1)c1ccccc1	InChI=1S/C22H17N5.ClH/c1-2-6-15(7-3-1)12-21-26-19-11-10-16(13-20(19)27-21)25-22-17-8-4-5-9-18(17)23-14-24-22;/h1-11,13-14H,12H2,(H,26,27)(H,23,24,25);1H	C22H18ClN5	387.865	5	2	66.49	5	4	1	-0.7784	6.44656	3.33	6.983	11.4654	112.2467	2.6484	296.132123597102
Cond-009856	GSK1000163A	GSK1000163A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.6890823361041	CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)	C20H25N7O2	395.458	9	3	119.12	4	4	0	-0.3419	2.86037	2.67	1.335	66.4835	111.4652	2.9642	345.816421666825
Cond-009857	GSK1007102B	GSK1007102B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	46.7227103788693	OC(=O)C(F)(F)F.CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C23H25N7O3.C2HF3O2/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20;3-2(4,5)1(6)7/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29);(H,6,7)/t17-;/m0./s1	C25H26F3N7O5	561.513	10	5	151.13	4	6	0	-0.756700000000001	3.28706	2.89	3.127	57.577	125.5316	3.3166	387.685226142586
Cond-009858	GSK1023156A	GSK1023156A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	28.0234766768309	NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2ccccc12	InChI=1S/C19H14BrN3O2S/c20-13-6-2-1-5-12(13)10-25-16-9-17(26-18(16)19(21)24)23-11-22-14-7-3-4-8-15(14)23/h1-9,11H,10H2,(H2,21,24)	C19H14BrN3O2S	428.302	5	2	97.86	4	5	0	0.7153	4.99087	2.78	4.572	33.0634	110.7284	2.6766	306.153121841857
Cond-009859	GSK1030058A	GSK1030058A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	56.5677450622057	COC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)n1cnc2cc(OC)c(OC)cc12	InChI=1S/C23H19F3N2O5S/c1-30-17-8-15-16(9-18(17)31-2)28(12-27-15)20-10-19(21(34-20)22(29)32-3)33-11-13-6-4-5-7-14(13)23(24,25)26/h4-10,12H,11H2,1-3H3	C23H19F3N2O5S	492.468	7	0	99.53	4	9	1	1.467	5.61097000000001	2.78	5.624	50.0774	123.178	3.1946	389.630037812193
Cond-009860	GSK1030059A	GSK1030059A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	88.7305031342181	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)C)c2cc1OC	InChI=1S/C23H19F3N2O4S/c1-13(29)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)28-12-27-16-8-18(30-2)19(31-3)9-17(16)28/h4-10,12H,11H2,1-3H3	C23H19F3N2O4S	476.468	6	0	90.3	4	8	1	1.2019	6.02697	2.89	5.568	48.8594	121.843	3.1359	380.839811111632
Cond-009861	GSK1030061A	GSK1030061A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	9.01559458791573	CNC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)n1cnc2cc(OC)c(OC)cc12	InChI=1S/C23H20F3N3O4S/c1-27-22(30)21-19(33-11-13-6-4-5-7-14(13)23(24,25)26)10-20(34-21)29-12-28-15-8-17(31-2)18(32-3)9-16(15)29/h4-10,12H,11H2,1-3H3,(H,27,30)	C23H20F3N3O4S	491.483	7	1	102.33	4	9	1	0.9233	5.18397	2.78	5.093	51.2272	125.2287	3.2357	391.836571319799
Cond-009862	GSK1030061A	GSK1030061A	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	91.052526886397	CNC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)n1cnc2cc(OC)c(OC)cc12	InChI=1S/C23H20F3N3O4S/c1-27-22(30)21-19(33-11-13-6-4-5-7-14(13)23(24,25)26)10-20(34-21)29-12-28-15-8-17(31-2)18(32-3)9-16(15)29/h4-10,12H,11H2,1-3H3,(H,27,30)	C23H20F3N3O4S	491.483	7	1	102.33	4	9	1	0.9233	5.18397	2.78	5.093	51.2272	125.2287	3.2357	391.836571319799
Cond-009863	GSK1030062A	GSK1030062A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	10.5770024810551	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC	InChI=1S/C24H22F3N3O4S/c1-29(2)23(31)22-20(34-12-14-7-5-6-8-15(14)24(25,26)27)11-21(35-22)30-13-28-16-9-18(32-3)19(33-4)10-17(16)30/h5-11,13H,12H2,1-4H3	C24H22F3N3O4S	505.509	7	0	93.54	4	9	1	1.0256	5.52617	2.89	5.235	56.9239	129.856	3.3766	409.132555945666
Cond-009864	GSK1030062A	GSK1030062A	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	71.8686108838152	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC	InChI=1S/C24H22F3N3O4S/c1-29(2)23(31)22-20(34-12-14-7-5-6-8-15(14)24(25,26)27)11-21(35-22)30-13-28-16-9-18(32-3)19(33-4)10-17(16)30/h5-11,13H,12H2,1-4H3	C24H22F3N3O4S	505.509	7	0	93.54	4	9	1	1.0256	5.52617	2.89	5.235	56.9239	129.856	3.3766	409.132555945666
Cond-009865	GSK1173862A	GSK1173862A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	74.5102091617026	CCCN1CCCC(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(=O)N)c3cc[nH]c3n2)c(OC)c1	InChI=1S/C28H32FN7O2/c1-3-12-36-13-4-5-18(16-36)17-6-9-22(24(14-17)38-2)33-28-34-26-21(10-11-31-26)27(35-28)32-23-15-19(29)7-8-20(23)25(30)37/h6-11,14-15,18H,3-5,12-13,16H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)	C28H32FN7O2	517.598	9	5	121.19	5	9	0	-1.9953	6.77815000000001	3.44	4.305	61.5409	153.0938	3.8715	459.086022720865
Cond-009866	GSK1220512A	GSK1220512A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	57.4357287794997	COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)N)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-22(23(15-18)38-3)32-27-33-25-19(8-9-30-25)26(34-27)31-21-6-4-17(28)14-20(21)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)	C27H31FN8O2	518.586	10	5	124.43	5	8	0	-1.3431	5.71915000000001	3.22	3.369	65.3699	153.3098	3.8304	452.786798303165
Cond-009867	GSK1326255A	GSK1326255A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	107.322127011484	CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(=O)N)c3cc[nH]c3n2)c(OC)c1	InChI=1S/C28H32FN7O2/c1-3-12-36-13-9-17(10-14-36)18-4-7-22(24(15-18)38-2)33-28-34-26-21(8-11-31-26)27(35-28)32-23-16-19(29)5-6-20(23)25(30)37/h4-8,11,15-17H,3,9-10,12-14H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)	C28H32FN7O2	517.598	9	5	121.19	5	9	0	-2.5389	6.77815000000001	3.44	4.305	60.0007	153.0938	3.8715	459.086022720865
Cond-009868	GSK1392956A	GSK1392956A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	113.478474662497	COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	InChI=1S/C30H37FN8O4/c1-18(2)38-10-12-39(13-11-38)20-5-7-25(26(15-20)43-3)35-30-36-27-22(8-9-32-27)28(37-30)34-24-6-4-19(31)14-23(24)29(42)33-16-21(41)17-40/h4-9,14-15,18,21,40-41H,10-13,16-17H2,1-3H3,(H,33,42)(H3,32,34,35,36,37)/t21-/m1/s1	C30H37FN8O4	592.664	12	6	150.9	5	12	3	-2.2909	4.70325000000001	3.33	2.506	83.3214	170.2177	4.37050000000001	522.255205581887
Cond-009869	GSK1511931A	GSK1511931A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	86.5532113146153	COc1cc(ccc1Nc1nc(Nc2cccc3ncccc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)	C29H32N8O	508.617	9	3	94.23	6	7	0	-1.188	7.46615	3.66	4.493	57.0559	158.1544	3.8842	446.628064602431
Cond-009870	GSK1713088A	GSK1713088A	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	73.4265019061336	CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(=O)N)c3cc[nH]c3n2)c(OC)cc1Cl	InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)	C28H31ClFN7O3	568.042	10	5	130.42	5	10	0	-1.693	7.09535000000001	3.22	4.073	67.8305	159.7788	4.0526	483.087317191859
Cond-009871	GSK1713088A	GSK1713088A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	15.7957813187628	CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(=O)N)c3cc[nH]c3n2)c(OC)cc1Cl	InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)	C28H31ClFN7O3	568.042	10	5	130.42	5	10	0	-1.693	7.09535000000001	3.22	4.073	67.8305	159.7788	4.0526	483.087317191859
Cond-009872	GSK1751853A	GSK1751853A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	18.6481304518833	COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(=O)N)c2cc[nH]c2n1	InChI=1S/C31H36FN9O3/c1-18(2)40-13-11-39(12-14-40)17-26(42)41-10-8-19-15-25(44-3)23(16-24(19)41)36-31-37-29-20(7-9-34-29)30(38-31)35-22-6-4-5-21(32)27(22)28(33)43/h4-7,9,15-16,18H,8,10-14,17H2,1-3H3,(H2,33,43)(H3,34,35,36,37,38)	C31H36FN9O3	601.674	12	5	144.74	6	10	1	-1.9125	5.63094000000001	3.44	2.52	86.5374	174.0178	4.4009	526.764806313759
Cond-009873	GSK180736A	GSK180736A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	108.621971838148	CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1	InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)	C19H16FN5O2	365.361	7	4	98.91	4	4	0	-0.9887	2.26987	2.67	3.613	39.1132	100.7131	2.5554	307.32155807333
Cond-009874	GSK1819799A	GSK1819799A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	112.206459332672	COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(=O)O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	InChI=1S/C27H30FN7O3/c1-16(2)34-11-13-35(14-12-34)17-7-8-20(22(15-17)38-3)31-27-32-24-18(9-10-29-24)25(33-27)30-21-6-4-5-19(28)23(21)26(36)37/h4-10,15-16H,11-14H2,1-3H3,(H,36,37)(H3,29,30,31,32,33)	C27H30FN7O3	519.571	10	4	118.64	5	8	0	-0.948099999999999	6.31845000000001	3.22	4.097	65.1477	151.7512	3.7893	450.580264795559
Cond-009875	GSK182497A	GSK182497A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	54.464287818896	CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1	InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m1/s1	C28H25ClFN5O3S	566.046	8	2	116.85	5	8	1	1.1651	5.92996000000001	3.33	5.185	70.3821	152.8604	3.9305	474.329903431526
Cond-009876	GSK192082A	GSK192082A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	26.8884008330998	CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1	InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m1/s1	C28H25ClFN5O3S	566.046	8	3	125.64	5	9	1	1.3132	5.97786000000001	3.33	5.466	68.9792	152.8501	3.9305	474.329903431526
Cond-009877	GSK200398A	GSK200398A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	89.6931917978559	Cl.O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2s1)N1CCOCC1	InChI=1S/C31H29N7O3S.ClH/c39-31(37-10-12-40-13-11-37)41-25-15-23(32-18-25)6-8-26-16-27-29(42-26)30(34-20-33-27)36-24-7-9-28-22(14-24)17-35-38(28)19-21-4-2-1-3-5-21;/h1-5,7,9,14,16-17,20,23,25,32H,10-13,15,18-19H2,(H,33,34,36);1H/t23-,25-;/m1./s1	C31H30ClN7O3S	616.133	10	2	134.67	7	7	0	-0.203899999999999	5.33886000000001	3.66	4.625	74.2474	165.7004	4.1525	488.68337500232
Cond-009878	GSK204925A	GSK204925A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	97.3873487185644	COc1cc2ncn(c3cc(OCCc4ccccc4)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26)	C22H21N3O4S	423.485	7	2	116.32	4	8	0	-0.0214999999999997	4.62757	3	4.452	43.5477	121.7554	3.0417	356.337910143013
Cond-009879	GSK2110236A	GSK2110236A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	35.2826525867639	COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(=O)N)c2cc[nH]c2n1	InChI=1S/C25H28N8O3S/c1-32(2)13-20(34)33-9-4-5-14-11-19(36-3)17(12-18(14)33)29-25-30-23-15(6-8-27-23)24(31-25)28-16-7-10-37-21(16)22(26)35/h6-8,10-12H,4-5,9,13H2,1-3H3,(H2,26,35)(H3,27,28,29,30,31)	C25H28N8O3S	520.607	11	5	169.74	5	9	0	-2.19	5.47904000000001	2.89	1.716	71.2349	151.9588	3.7531	439.426520959286
Cond-009880	GSK2163632A	GSK2163632A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	19.346979127264	COc1cc2c(cc1Nc1nc(Nc3ccsc3C(=O)N)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C	InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)	C27H32N8O3S	548.66	11	5	169.74	5	9	0	-0.794599999999998	6.21414000000001	3.11	2.83	81.5344	161.2808	4.0349	474.01849021102
Cond-009881	GSK2186269A	GSK2186269A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	74.1371077354935	COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1	InChI=1S/C27H29N7O2/c1-32(2)16-24(35)33-12-10-18-14-23(36-3)20(15-22(18)33)29-27-30-25-19(8-11-28-25)26(31-27)34-13-9-17-6-4-5-7-21(17)34/h4-8,11,14-15H,9-10,12-13,16H2,1-3H3,(H2,28,29,30,31)	C27H29N7O2	483.565	9	2	89.62	6	7	0	-0.9638	5.66645000000001	3.44	3.384	61.4367	147.7357	3.6043	423.366020543892
Cond-009882	GSK2213727A	GSK2213727A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	100.131834086305	COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(=O)N)c2cc[nH]c2n1	InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)	C25H27FN8O3	506.532	11	6	150.29	4	10	0	-1.4449	5.37167000000001	2.89	2.127	57.3268	145.7205	3.6729	436.705055751992
Cond-009883	GSK2219385A	GSK2219385A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	107.326321703486	COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(=O)N)c2cc[nH]c2n1)N(C)C(=O)CN(C)C	InChI=1S/C26H29FN8O3/c1-14-11-20(38-5)18(12-19(14)35(4)21(36)13-34(2)3)31-26-32-24-15(9-10-29-24)25(33-26)30-17-8-6-7-16(27)22(17)23(28)37/h6-12H,13H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)	C26H29FN8O3	520.559	11	5	141.5	4	10	0	-1.3426	5.32297000000001	3	2.269	63.0235	150.6818	3.8138	454.001040377859
Cond-009884	GSK2220400A	GSK2220400A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	32.8379669405658	CNC(=O)c1ncccc1Nc1nc(Nc2cc3N(CCCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12	InChI=1S/C27H31N9O3/c1-28-26(38)23-18(8-5-10-29-23)31-25-17-9-11-30-24(17)33-27(34-25)32-19-14-20-16(13-21(19)39-4)7-6-12-36(20)22(37)15-35(2)3/h5,8-11,13-14H,6-7,12,15H2,1-4H3,(H,28,38)(H3,30,31,32,33,34)	C27H31N9O3	529.594	12	4	140.4	5	10	1	-2.6783	5.07324000000001	3.11	1.903	69.1381	156.7491	3.9282	463.869767660786
Cond-009885	GSK237700A	GSK237700A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	9.01246415018161	COc1cc2ncn(c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m0/s1	C22H20ClN3O4S	457.93	7	2	116.32	4	7	0	0.4565	5.45837	2.89	3.806	49.2959	125.8314	3.1641	371.548977913446
Cond-009886	GSK237700A	GSK237700A	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	60.8443597977897	COc1cc2ncn(c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m0/s1	C22H20ClN3O4S	457.93	7	2	116.32	4	7	0	0.4565	5.45837	2.89	3.806	49.2959	125.8314	3.1641	371.548977913446
Cond-009887	GSK237701A	GSK237701A	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	63.8856754076095	COc1cc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1	C22H20ClN3O4S	457.93	7	2	116.32	4	7	0	0.4565	5.45837	2.89	3.806	49.2959	125.8314	3.1641	371.548977913446
Cond-009888	GSK237701A	GSK237701A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	9.03643387582165	COc1cc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1	C22H20ClN3O4S	457.93	7	2	116.32	4	7	0	0.4565	5.45837	2.89	3.806	49.2959	125.8314	3.1641	371.548977913446
Cond-009889	GSK238063A	GSK238063A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.0354630148174	CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1	InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m0/s1	C28H25ClFN5O3S	566.046	8	2	116.85	5	8	1	1.1651	5.92996000000001	3.33	5.185	70.3821	152.8604	3.9305	474.329903431526
Cond-009890	GSK238583A	GSK238583A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	27.4094906935176	OC(=O)C(F)(F)F.O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2s1)N1CCOCC1	InChI=1S/C30H29N5O3S.C2HF3O2/c36-30(35-12-14-37-15-13-35)38-25-17-24(31-19-25)10-11-26-18-27-28(39-26)29(33-20-32-27)34-23-8-6-22(7-9-23)16-21-4-2-1-3-5-21;3-2(4,5)1(6)7/h1-9,18,20,24-25,31H,12-17,19H2,(H,32,33,34);(H,6,7)/t24-,25-;/m1./s1	C32H30F3N5O5S	653.671	8	2	116.85	6	7	1	0.2275	5.07176000000001	3.77	6.909	71.2382	154.8064	3.9636	475.28678736172
Cond-009891	GSK248233A	GSK248233A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	77.4328860778338	CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)c1nonc1N	InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)	C25H24N8O3	484.51	11	3	137.22	5	8	0	-1.1092	6.12205000000001	3	3.75	42.0817	144.4361	3.5036	404.744579500086
Cond-009892	GSK269962B	GSK269962B	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	15.6733068255178	Cl.CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)c1nonc1N	InChI=1S/C29H30N8O5.ClH/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36;/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38);1H	C29H31ClN8O5	607.06	13	3	155.68	6	11	1	-1.5524	5.76705000000001	3.22	3.16	62.1997	162.8631	4.076	479.152512703875
Cond-009893	GSK269962B	GSK269962B	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	61.3596228209975	Cl.CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)c1nonc1N	InChI=1S/C29H30N8O5.ClH/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36;/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38);1H	C29H31ClN8O5	607.06	13	3	155.68	6	11	1	-1.5524	5.76705000000001	3.22	3.16	62.1997	162.8631	4.076	479.152512703875
Cond-009894	GSK270822A	GSK270822A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	101.186480584225	CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1	InChI=1S/C24H20N4O2/c1-14-23(24(30)27-19-8-9-21-18(11-19)13-25-28-21)20(12-22(29)26-14)17-7-6-15-4-2-3-5-16(15)10-17/h2-11,13,20H,12H2,1H3,(H,25,28)(H,26,29)(H,27,30)	C24H20N4O2	396.441	6	3	86.88	5	4	1	-1.5212	4.51057	3.44	6.482	40.6706	120.5204	2.9478	348.207786041791
Cond-009895	GSK299115A	GSK299115A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	95.8892676538643	CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1	InChI=1S/C20H16Cl2N4O2/c1-10-19(20(28)25-13-3-5-17-12(6-13)9-23-26-17)14(8-18(27)24-10)11-2-4-15(21)16(22)7-11/h2-7,9,14H,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)	C20H16Cl2N4O2	415.273	6	3	86.88	4	4	0	-0.0326000000000002	4.66417	2.78	3.532	51.9018	113.0344	2.8236	337.97535918159
Cond-009896	GSK300014A	GSK300014A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	102.496489598282	CS(=O)(=O)CCNCc1cc(cs1)c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1	InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)	C27H24ClFN4O3S3	603.151	7	2	158.07	5	11	2	1.1338	7.63688	3.11	5.692	63.4813	155.1304	4.0598	474.791665413492
Cond-009897	GSK312948A	GSK312948A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	13.1115457148165	COc1cc2ncn(c3cc(OCc4cccs4)c(s3)C(=O)N)c2cc1OC	InChI=1S/C19H17N3O4S2/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)26-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H2,20,23)	C19H17N3O4S2	415.486	7	2	144.56	4	7	0	0.3135	3.81937	2.56	2.362	46.8894	110.8274	2.8255	325.595439023813
Cond-009898	GSK317314A	GSK317314A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	20.2241706127754	COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2c1	InChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1	C21H18ClN3O3S	427.904	6	2	107.09	4	6	0	0.5083	5.44977	2.89	4.25	41.9801	119.2794	2.9645	345.462766587019
Cond-009899	GSK317315A	GSK317315A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	28.8649711046993	COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(=O)N)c2c1	InChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29)/t12-/m1/s1	C22H18F3N3O3S	461.457	6	2	107.09	4	7	1	0.8621	5.47407	2.78	5.479	42.7991	118.4934	3.0361	365.750359993371
Cond-009900	GSK317354A	GSK317354A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	96.5818014507525	CC1=C(C(N=C(N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1	InChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)	C25H18F4N6O	494.444	7	3	95.06	5	6	1	0.1484	5.17557	3	6.371	44.2104	128.8754	3.25740000000001	400.340841083855
Cond-009901	GSK319347A	GSK319347A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	93.6601153147033	COc1cc2ncn(c3cc(OCc4ccccc4S(=O)(=O)C)c(s3)C#N)c2cc1OC	InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	C22H19N3O5S2	469.533	8	0	139.54	4	7	0	0.0695000000000003	5.08827	2.78	3.235	52.1913	119.898	3.2209	381.000702200374
Cond-009902	GSK466314A	GSK466314A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	104.788007382901	Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12	InChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)	C22H19F3N4O2	428.407	6	3	86.88	4	5	1	0.0163999999999998	4.52299	2.89	5.584	52.8377	112.1854	2.9137	360.347869443377
Cond-009903	GSK466317A	GSK466317A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	94.7094360997503	CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1	InChI=1S/C21H16ClF3N4O2/c1-10-18(20(31)28-14-6-12-9-26-29-19(12)16(22)7-14)15(8-17(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-7,9,15H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)	C21H16ClF3N4O2	448.826	6	3	86.88	4	5	1	0.3212	5.09366	2.67	5.183	52.7208	113.2894	2.8952	358.262952587943
Cond-009904	GSK554170A	GSK554170A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	99.4395725603397	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C21H27N7O3.C2HF3O2/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17;3-2(4,5)1(6)7/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27);(H,6,7)	C23H28F3N7O5	539.508	10	4	137.14	4	5	0	-1.2357	3.02336	2.67	0.81	71.3074	119.5529	3.1638	371.902632993252
Cond-009905	GSK561866B	GSK561866B	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	108.219181211317	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OCCCN)c12)C#CCN)c1nonc1N	InChI=1S/C16H20N8O2.C2HF3O2/c1-2-24-14-11(25-8-4-7-18)9-20-10(5-3-6-17)12(14)21-16(24)13-15(19)23-26-22-13;3-2(4,5)1(6)7/h9H,2,4,6-8,17-18H2,1H3,(H2,19,23);(H,6,7)	C18H21F3N8O4	470.406	10	6	156.92	3	6	0	-1.8548	1.96555	2.12	-0.663	54.4046	101.4282	2.609	299.985702072324
Cond-009906	GSK571989A	GSK571989A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	15.7849047848187	C[C@@H](Oc1cc(sc1C(=O)N)n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1Cl	InChI=1S/C27H29ClN4O3S/c1-17(20-5-3-4-6-21(20)28)35-24-14-25(36-26(24)27(29)33)32-16-30-22-8-7-19(13-23(22)32)34-15-18-9-11-31(2)12-10-18/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H2,29,33)/t17-/m1/s1	C27H29ClN4O3S	525.062	7	2	110.33	5	8	0	-0.3258	6.16177000000001	3.44	4.841	67.6407	148.4434	3.8011	447.878975849586
Cond-009907	GSK579289A	GSK579289A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	11.342592071493	C[C@@H](Oc1cc(sc1C(=O)N)n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl	InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1	C26H27ClN4O3S	511.036	7	2	110.33	5	7	0	-0.0817000000000003	5.91417	3.33	4.646	63.5236	143.8744	3.6602	430.582991223719
Cond-009908	GSK586581B	GSK586581B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	67.0827494981867	c1(c2ccccc2)cc(c(c(c1)C(=O)N)N)c1ccc(cc1)NS(=O)(=O)C.OC(=O)C(F)(F)F	InChI=1S/C20H19N3O3S.C2HF3O2/c1-27(25,26)23-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)21)20(22)24;3-2(4,5)1(6)7/h2-12,23H,21H2,1H3,(H2,22,24);(H,6,7)	C22H20F3N3O5S	495.472	6	5	123.66	3	5	1	-2.2189	4.21919	2.89	5.063	28.5019	113.5445	2.8098	336.212172891518
Cond-009909	GSK605714A	GSK605714A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.787038734813	COc1ccc(cc1C(=O)N)c1ccncc1	InChI=1S/C13H12N2O2/c1-17-12-3-2-10(8-11(12)13(14)16)9-4-6-15-7-5-9/h2-8H,1H3,(H2,14,16)	C13H12N2O2	228.247	4	2	65.21	2	3	0	-0.6866	1.87289	2.45	1.64	14.7573	68.6484	1.7391	208.010104347323
Cond-009910	GSK614526A	GSK614526A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	104.995127712463	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C20H25N7O3.C2HF3O2/c1-4-27-17-14(29-11-12-6-5-9-22-12)10-23-13(7-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16;3-2(4,5)1(6)7/h10,12,22,28H,4-6,9,11H2,1-3H3,(H2,21,26);(H,6,7)/t12-;/m0./s1	C22H26F3N7O5	525.481	10	4	137.14	4	5	0	-0.9916	2.77576	2.56	0.615	67.1903	114.9839	3.0229	354.606648367386
Cond-009911	GSK619487A	GSK619487A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	109.748044738963	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C20H25N7O3.C2HF3O2/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16;3-2(4,5)1(6)7/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26);(H,6,7)	C22H26F3N7O5	525.481	10	4	137.14	4	4	0	-0.9916	2.77576	2.56	0.615	67.1903	114.9839	3.0229	354.606648367386
Cond-009912	GSK620503A	GSK620503A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	61.385427997411	NC(=O)c1cc(cc(c2ccncc2)c1N)c1ccc(F)cc1	InChI=1S/C18H14FN3O/c19-14-3-1-11(2-4-14)13-9-15(12-5-7-22-8-6-12)17(20)16(10-13)18(21)23/h1-10H,20H2,(H2,21,23)	C18H14FN3O	307.322	4	4	82	3	3	0	-0.905	3.30099	2.89	3.617	12.5361	92.7868	2.2648	271.598285031368
Cond-009913	GSK625137A	GSK625137A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	14.1898373816092	NC(=O)c1cc(cc(c2ccccc2)c1N)c1ccncc1	InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	C18H15N3O	289.331	4	4	82	3	3	0	-1.3847	3.16189	3	4.502	11.6636	92.8288	2.2471	265.530726181062
Cond-009914	GSK625137A	GSK625137A	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	90.7251465973504	NC(=O)c1cc(cc(c2ccccc2)c1N)c1ccncc1	InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	C18H15N3O	289.331	4	4	82	3	3	0	-1.3847	3.16189	3	4.502	11.6636	92.8288	2.2471	265.530726181062
Cond-009915	GSK635416A	GSK635416A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	98.5409648039422	CNC(=O)c1cc(cc(c2ccc(cc2)S(=O)(=O)N2CCCC2)c1N)c1ccc(F)cc1	InChI=1S/C24H24FN3O3S/c1-27-24(29)22-15-18(16-4-8-19(25)9-5-16)14-21(23(22)26)17-6-10-20(11-7-17)32(30,31)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,26H2,1H3,(H,27,29)	C24H24FN3O3S	453.529	6	3	100.88	4	6	0	-2.292	3.90319000000001	3.22	4.75	44.622	122.4441	3.2825	399.107211544492
Cond-009916	GSK711701A	GSK711701A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	11.7177811073229	COc1c(cc(cc1c1ccc(cc1)S(=O)(=O)N)c1ccc(Cl)cc1)C(=O)N	InChI=1S/C20H17ClN2O4S/c1-27-19-17(13-4-8-16(9-5-13)28(23,25)26)10-14(11-18(19)20(22)24)12-2-6-15(21)7-3-12/h2-11H,1H3,(H2,22,24)(H2,23,25,26)	C20H17ClN2O4S	416.878	6	4	120.86	3	5	0	-0.8788	3.44609	2.78	3.391	31.5145	108.1438	2.8911	349.216707154346
Cond-009917	GSK718429A	GSK718429A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	116.756224736268	CCn1cc(c(n1)c1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1ccnc2[nH]ccc12	InChI=1S/C32H28N6O2/c1-2-38-20-29(27-15-17-33-31-28(27)16-18-34-31)30(37-38)23-9-6-10-25(19-23)36-32(39)35-24-11-13-26(14-12-24)40-21-22-7-4-3-5-8-22/h3-20H,2,21H2,1H3,(H,33,34)(H2,35,36,39)	C32H28N6O2	528.604	8	3	96.86	6	10	1	-0.8247	8.22025	4.1	7.162	32.4624	165.1484	3.99400000000001	463.866889961059
Cond-009918	GSK938890A	GSK938890A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	45.6016297556148	CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C23H25N7O3/c1-4-30-17-12-18(32-13-15(24)14-8-6-5-7-9-14)26-16(10-11-23(2,3)31)19(17)27-22(30)20-21(25)29-33-28-20/h5-9,12,15,31H,4,13,24H2,1-3H3,(H2,25,29)/t15-/m1/s1	C23H25N7O3	447.49	10	5	151.13	4	6	0	-0.756700000000001	3.28706	2.89	3.127	57.577	125.5316	3.3166	387.685226142586
Cond-009919	GSK943949A	GSK943949A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	57.2490263594423	CCn1c(nc2c(nc(OC[C@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C23H25N7O3/c1-4-30-17-12-18(32-13-15(24)14-8-6-5-7-9-14)26-16(10-11-23(2,3)31)19(17)27-22(30)20-21(25)29-33-28-20/h5-9,12,15,31H,4,13,24H2,1-3H3,(H2,25,29)/t15-/m0/s1	C23H25N7O3	447.49	10	5	151.13	4	6	0	-0.756700000000001	3.28706	2.89	3.127	57.577	125.5316	3.3166	387.685226142586
Cond-009920	GSK949675A	GSK949675A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	75.1054007415868	Cl.CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)c1nonc1N	InChI=1S/C18H23N7O3.ClH/c1-5-25-12-10-13(27-9-8-20-4)21-11(6-7-18(2,3)26)14(12)22-17(25)15-16(19)24-28-23-15;/h10,20,26H,5,8-9H2,1-4H3,(H2,19,24);1H	C18H24ClN7O3	421.881	10	4	137.14	3	6	0	-0.2629	2.14756	2.34	0.572	63.6659	106.8659	2.8497	332.371137816452
Cond-009921	GSK953913A	GSK953913A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	46.8839904329685	NS(=O)(=O)c1ccc(cc1)c1cc2ccncc2cc1OCc1ccccc1	InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-6-17(7-9-20)21-12-18-10-11-24-14-19(18)13-22(21)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,23,25,26)	C22H18N2O3S	390.455	5	2	90.66	4	5	0	-1.079	4.35099	3.22	4.944	17.4729	105.1504	2.8402	333.914464533485
Cond-009922	GSK969786A	GSK969786A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	113.581881961615	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c3ccco3)cc2Cl)c1	InChI=1S/C23H15ClFN3O2S/c24-18-10-16(6-7-19(18)30-12-14-3-1-4-15(25)9-14)28-22-17-11-21(20-5-2-8-29-20)31-23(17)27-13-26-22/h1-11,13H,12H2,(H,26,27,28)	C23H15ClFN3O2S	451.901	5	1	88.42	5	6	1	1.0976	7.94246	3.11	5.858	25.532	126.1917	3.0107	348.802691886097
Cond-009923	GSK978744A	GSK978744A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	105.720424896324	C[C@@H](Oc1cc(sc1C(=O)N)n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl	InChI=1S/C23H22ClN3O5S/c1-13(16-4-2-3-5-17(16)24)32-20-9-21(33-22(20)23(25)30)27-12-26-18-7-6-15(8-19(18)27)31-11-14(29)10-28/h2-9,12-14,28-29H,10-11H2,1H3,(H2,25,30)/t13-,14+/m1/s1	C23H22ClN3O5S	487.956	8	4	147.55	4	9	0	-0.5418	4.17317	2.89	2.869	54.2349	131.315	3.3637	397.635189239874
Cond-009924	GSK980961A	GSK980961A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	24.8776911607949	NS(=O)(=O)c1cccc(c1)c1cc2ccncc2cc1OCc1ccccc1	InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-4-7-18(11-20)21-12-17-9-10-24-14-19(17)13-22(21)27-15-16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,25,26)	C22H18N2O3S	390.455	5	2	90.66	4	5	1	-1.079	4.35099	3.22	5.155	17.4729	105.1504	2.8402	333.914464533485
Cond-009925	GSK994854A	GSK994854A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	79.4223411605943	CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(=O)N)c3cc[nH]c3n2)c(C)c1	InChI=1S/C28H31N7O/c1-3-14-35-15-6-7-20(17-35)19-10-11-23(18(2)16-19)32-28-33-26-22(12-13-30-26)27(34-28)31-24-9-5-4-8-21(24)25(29)36/h4-5,7-13,16H,3,6,14-15,17H2,1-2H3,(H2,29,36)(H3,30,31,32,33,34)	C28H31N7O	481.592	8	5	111.96	5	8	0	-1.4585	6.44017000000001	3.66	4.612	60.6986	150.0468	3.7521	441.591778469197
Cond-009926	GW275616X	GW275616X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.162438795238	NS(=O)(=O)c1cccc(N/C=C/2\C(=O)Nc3ccccc23)c1	InChI=1S/C15H13N3O3S/c16-22(20,21)11-5-3-4-10(8-11)17-9-13-12-6-1-2-7-14(12)18-15(13)19/h1-9,17H,(H,18,19)(H2,16,20,21)/b13-9-	C15H13N3O3S	315.347	6	4	109.67	3	3	0	-2.2405	2.94246	2.34	2.174	30.2233	81.7408	2.1913	265.905167163784
Cond-009927	GW275944X	GW275944X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	100.431450299245	Cc1ccc2NC(=O)/C(=N\Nc3ccc(cc3)S(=O)(=O)N)/c2c1	InChI=1S/C15H14N4O3S/c1-9-2-7-13-12(8-9)14(15(20)17-13)19-18-10-3-5-11(6-4-10)23(16,21)22/h2-8,18H,1H3,(H2,16,21,22)(H,17,19,20)	C15H14N4O3S	330.362	7	4	122.03	3	3	0	-1.4553	1.81399	2.23	3.02	33.9883	85.5748	2.2911	276.901927371951
Cond-009928	GW276655X	GW276655X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	113.063284980834	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc(cc23)c2cnco2)cc1	InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)	C17H13N5O4S	383.381	9	4	148.06	4	4	0	-2.2514	2.48937	2.23	2.126	30.1053	98.3158	2.5368	302.751507430013
Cond-009929	GW278681X	GW278681X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	74.4273854874455	CS(=O)(=O)Nc1ccc(N/C=C/2\C(=O)Nc3ccccc23)cc1	InChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,17,19H,1H3,(H,18,20)/b14-10-	C16H15N3O3S	329.374	6	3	95.68	3	4	0	-2.1382	4.79536	2.45	3.044	35.92	94.2911	2.3322	283.201151789651
Cond-009930	GW279320X	GW279320X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	109.539788887353	Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(=O)(=O)N)C(=O)Nc12	InChI=1S/C15H13ClN4O3S/c1-8-6-9(16)7-12-13(8)18-15(21)14(12)20-19-10-2-4-11(5-3-10)24(17,22)23/h2-7,19H,1H3,(H2,17,22,23)(H,18,20,21)	C15H13ClN4O3S	364.807	7	4	122.03	3	3	0	-0.711	2.46739	2.12	2.694	39.6039	90.5848	2.4135	292.112995142384
Cond-009931	GW282449A	GW282449A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	26.2108621252551	Cl.COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1OC	InChI=1S/C24H21N5O2.ClH/c1-30-22-11-19-20(12-23(22)31-2)25-15-26-24(19)28-18-8-9-21-17(10-18)13-27-29(21)14-16-6-4-3-5-7-16;/h3-13,15H,14H2,1-2H3,(H,25,26,28);1H	C24H22ClN5O2	447.917	7	1	74.09	5	6	0	-0.4992	6.47137	3.33	4.916	25.5418	123.8127	3.0476	348.304546249958
Cond-009932	GW282974A	GW282974A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	108.03918208453	CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1.Cl	InChI=1S/C23H21N7.ClH/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16;/h3-13,15H,14H2,1-2H3,(H,25,26,28);1H	C23H22ClN7	431.921	7	1	71.76	5	5	0	-0.1778	5.91517	3.22	4.507	25.2016	122.8307	2.9889	335.421628639302
Cond-009933	GW284372X	GW284372X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	16.3111214907562	C(Oc1ccc(Nc2ncnc3ccc(cc23)c2ccco2)cc1)c1ccccc1	InChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28)	C25H19N3O2	393.437	5	1	60.18	5	6	1	-0.717	7.33177	3.66	7.113	11.2504	120.1917	2.9459	340.970551758691
Cond-009934	GW284372X	GW284372X	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	74.2355768598451	C(Oc1ccc(Nc2ncnc3ccc(cc23)c2ccco2)cc1)c1ccccc1	InChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28)	C25H19N3O2	393.437	5	1	60.18	5	6	1	-0.717	7.33177	3.66	7.113	11.2504	120.1917	2.9459	340.970551758691
Cond-009935	GW284408X	GW284408X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	116.719019257469	O=C1Nc2ccccc2/C/1=C/Nc1ccc2[nH]c(=O)[nH]c2c1	InChI=1S/C16H12N4O2/c21-15-11(10-3-1-2-4-12(10)18-15)8-17-9-5-6-13-14(7-9)20-16(22)19-13/h1-8,17H,(H,18,21)(H2,19,20,22)/b11-8-	C16H12N4O2	292.292	6	4	82.26	4	2	0	-1.9317	3.66456	2.56	2.512	29.0243	88.0328	2.0582	251.905743838056
Cond-009936	GW290597X	GW290597X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	106.699424617052	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1	InChI=1S/C21H21N7O4S/c22-33(31,32)16-5-3-15(4-6-16)26-27-19-17-12-14(2-7-18(17)25-21(19)30)20(29)24-8-1-10-28-11-9-23-13-28/h2-7,9,11-13,26H,1,8,10H2,(H,24,29)(H2,22,31,32)(H,25,27,30)	C21H21N7O4S	467.501	11	5	168.95	4	9	1	-2.9837	1.80257	2.45	1.791	51.1617	121.112	3.257	391.292507649013
Cond-009937	GW296115X	GW296115X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	94.5817025062845	c1(ccc2c(c1)c1c([nH]2)c2c(c3c([nH]2)ccc(c3)OC)c2c1c(=O)[nH]c2=O)OC	InChI=1S/C22H15N3O4/c1-28-9-3-5-13-11(7-9)15-17-18(22(27)25-21(17)26)16-12-8-10(29-2)4-6-14(12)24-20(16)19(15)23-13/h3-8,23-24H,1-2H3,(H,25,26,27)	C22H15N3O4	385.372	7	3	96.21	6	2	0	-1.7027	3.67137	3.11	1.842	33.6146	116.0362	2.618	299.579509983013
Cond-009938	GW300653X	GW300653X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	122.517129835116	CC(C)c1ccc2c(NC(=O)/C/2=N/Nc2ccc(cc2)S(=O)(=O)N)c1	InChI=1S/C17H18N4O3S/c1-10(2)11-3-8-14-15(9-11)19-17(22)16(14)21-20-12-4-6-13(7-5-12)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)	C17H18N4O3S	358.415	7	4	122.03	3	4	0	-1.5244	2.90937	2.45	4.097	42.754	96.0238	2.5729	311.493896623685
Cond-009939	GW300657X	GW300657X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	116.609592124449	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1	InChI=1S/C21H18N6O4S/c22-32(30,31)16-4-2-15(3-5-16)26-27-19-17-11-14(1-6-18(17)25-21(19)29)20(28)24-12-13-7-9-23-10-8-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)	C21H18N6O4S	450.47	10	5	164.02	4	7	0	-2.7205	1.77147	2.56	2.392	40.6399	116.586	3.1142	377.659288740046
Cond-009940	GW300660X	GW300660X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	114.175636139496	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc(cc23)C(=O)NCCc2c[nH]cn2)cc1	InChI=1S/C20H19N7O4S/c21-32(30,31)15-4-2-13(3-5-15)26-27-18-16-9-12(1-6-17(16)25-20(18)29)19(28)23-8-7-14-10-22-11-24-14/h1-6,9-11,26H,7-8H2,(H,22,24)(H,23,28)(H2,21,30,31)(H,25,27,29)	C20H19N7O4S	453.474	11	6	179.81	4	8	1	-3.4289	0.999670000000002	2.34	1.626	46.8515	116.992	3.1161	373.996523023146
Cond-009941	GW301784X	GW301784X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	107.943466214849	CC(C)(CO)CNC(=O)c1ccc2NC(=O)/C(=N\Nc3ccc(cc3)S(=O)(=O)N)/c2c1	InChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,24,26H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)(H,23,25,28)	C20H23N5O5S	445.492	10	6	171.36	3	8	0	-2.255	1.53427	2.45	1.854	61.5414	115.1348	3.1698	389.322605409774
Cond-009942	GW301789X	GW301789X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	45.8211501939003	O=C1Nc2ccccc2/C/1=C/Nc1ccc(cc1)n1cncn1	InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,19H,(H,21,23)/b15-9-	C17H13N5O	303.318	6	2	71.32	4	3	0	-1.2908	3.94796	2.67	3.357	21.9797	91.1394	2.1972	257.871803270729
Cond-009943	GW305074X	GW305074X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	12.9793867741023	Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br	InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)	C15H8Br2INO2	520.942	3	2	49.33	3	1	0	2.3748	5.55687	2.45	4.797	50.249	100.7985	2.3777	280.456435614688
Cond-009944	GW305074X	GW305074X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	85.3549135075307	Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br	InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)	C15H8Br2INO2	520.942	3	2	49.33	3	1	0	2.3748	5.55687	2.45	4.797	50.249	100.7985	2.3777	280.456435614688
Cond-009945	GW305178X	GW305178X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	111.842102301118	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc4ncccc4c23)cc1	InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)	C17H13N5O3S	367.382	8	4	134.92	4	3	0	-2.0973	2.33417	2.34	2.507	28.4862	97.2358	2.4781	293.961280729451
Cond-009946	GW335962X	GW335962X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	103.533136456947	C/C(=C\1/C(=O)Nc2ccccc12)/Nc1ccc(cc1)S(=O)(=O)N	InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,18H,1H3,(H,19,20)(H2,17,21,22)/b15-10-	C16H15N3O3S	329.374	6	4	109.67	3	3	0	-1.7268	3.33256	2.45	2.41	36.0418	86.3578	2.3322	283.201151789651
Cond-009947	GW405841X	GW405841X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	14.3935764778426	COC(=O)c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	InChI=1S/C17H11Br2NO4/c1-24-17(23)9-2-3-14-10(7-9)11(16(22)20-14)4-8-5-12(18)15(21)13(19)6-8/h2-7,21H,1H3,(H,20,22)	C17H11Br2NO4	453.082	5	2	75.63	3	3	0	0.9659	4.47337	2.56	3.721	48.2912	99.1995	2.4757	304.715597896479
Cond-009948	GW405841X	GW405841X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	84.7325828491191	COC(=O)c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	InChI=1S/C17H11Br2NO4/c1-24-17(23)9-2-3-14-10(7-9)11(16(22)20-14)4-8-5-12(18)15(21)13(19)6-8/h2-7,21H,1H3,(H,20,22)	C17H11Br2NO4	453.082	5	2	75.63	3	3	0	0.9659	4.47337	2.56	3.721	48.2912	99.1995	2.4757	304.715597896479
Cond-009949	GW406108X	GW406108X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	71.3328456809762	Oc1c(Cl)cc(C=C2C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl	InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)	C20H11Cl2NO4	400.212	5	2	79.54	4	3	0	0.2478	5.55807	2.89	3.712	37.3009	104.842	2.5986	319.929073257412
Cond-009950	GW406731X	GW406731X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.35744419744811	COC(=O)c1cncc(/C=C/c2c(C)cc(O)cc2C)c1	InChI=1S/C17H17NO3/c1-11-6-15(19)7-12(2)16(11)5-4-13-8-14(10-18-9-13)17(20)21-3/h4-10,19H,1-3H3/b5-4+	C17H17NO3	283.322	4	1	59.42	2	4	0	1.3027	2.53173	2.89	3.959	35.8758	81.3248	2.2186	272.351050642384
Cond-009951	GW406731X	GW406731X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	83.7600937928994	COC(=O)c1cncc(/C=C/c2c(C)cc(O)cc2C)c1	InChI=1S/C17H17NO3/c1-11-6-15(19)7-12(2)16(11)5-4-13-8-14(10-18-9-13)17(20)21-3/h4-10,19H,1-3H3/b5-4+	C17H17NO3	283.322	4	1	59.42	2	4	0	1.3027	2.53173	2.89	3.959	35.8758	81.3248	2.2186	272.351050642384
Cond-009952	GW407323A	GW407323A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	53.6553218458029	Cl.Nc1nc(cs1)c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	InChI=1S/C18H11Br2N3O2S.ClH/c19-12-4-8(5-13(20)16(12)24)3-11-10-6-9(15-7-26-18(21)23-15)1-2-14(10)22-17(11)25;/h1-7,24H,(H2,21,23)(H,22,25);1H	C18H12Br2ClN3O2S	529.633	5	4	116.48	4	2	0	0.7954	6.11156	2.56	3.909	48.3184	115.5269	2.7107	319.040756193557
Cond-009953	GW410563A	GW410563A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	87.989236268095	Cl.COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC	InChI=1S/C17H17N3O3.ClH/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17;/h4-9,21H,1-3H3,(H,18,19,20);1H	C17H18ClN3O3	347.796	6	2	76.5	3	4	0	-0.3423	4.5548	2.67	2.339	25.9983	91.6407	2.3096	271.088112357918
Cond-009954	GW416469X	GW416469X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	117.233370484984	CN(C)c1ccc2NC(=O)/C(=C\Nc3ccc(cc3)S(=O)(=O)N)/c2c1	InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,19H,1-2H3,(H,20,22)(H2,18,23,24)/b15-10-	C17H18N4O3S	358.415	7	4	112.91	3	4	0	-2.0227	3.00846	2.45	1.562	44.5147	96.0678	2.5729	311.493896623685
Cond-009955	GW416981X	GW416981X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	92.3801361103959	CC(C)COC(=O)c1ccc2NC(=O)/C(=C\Nc3ccc(cc3)S(=O)(=O)N)/c2c1	InChI=1S/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,22H,11H2,1-2H3,(H,23,24)(H2,21,26,27)/b17-10-	C20H21N3O5S	415.463	8	4	135.97	3	7	0	-1.7471	3.48976	2.67	2.599	55.495	106.6398	2.9702	367.329084993441
Cond-009956	GW427984X	GW427984X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	102.424459573302	CN(C)C(=O)c1cncc(/C=C/c2c(C)cc(O)cc2C)c1	InChI=1S/C18H20N2O2/c1-12-7-16(21)8-13(2)17(12)6-5-14-9-15(11-19-10-14)18(22)20(3)4/h5-11,21H,1-4H3/b6-5+	C18H20N2O2	296.364	4	1	53.43	2	4	0	0.8613	2.44693	3	3.57	42.7223	88.0028	2.4006	291.853568775857
Cond-009957	GW429374A	GW429374A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	26.7734830286051	Cl.Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)c2cccnc2)cc1Br	InChI=1S/C20H12Br2N2O2.ClH/c21-16-7-11(8-17(22)19(16)25)6-15-14-9-12(13-2-1-5-23-10-13)3-4-18(14)24-20(15)26;/h1-10,25H,(H,24,26);1H	C20H13Br2ClN2O2	508.59	4	2	62.22	4	2	0	0.9547	6.06267	3	4.731	36.3028	112.1965	2.6862	321.490482478724
Cond-009958	GW432441X	GW432441X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	66.8737821550463	CNC(=O)Oc1cc(C)c(/C=C/c2cncc(c2)C(=O)NC)c(C)c1	InChI=1S/C19H21N3O3/c1-12-7-16(25-19(24)21-4)8-13(2)17(12)6-5-14-9-15(11-22-10-14)18(23)20-3/h5-11H,1-4H3,(H,20,23)(H,21,24)/b6-5+	C19H21N3O3	339.388	6	2	80.32	2	7	0	1.2376	2.19301	2.89	3.808	48.9505	98.4219000000001	2.657	326.300081609652
Cond-009959	GW434756X	GW434756X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	9.10834126688828	Fc1ccc(cc1)c1nn2ccccc2c1c1ccncc1	InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H	C18H12FN3	289.306	3	0	30.19	4	2	0	0.4929	4.36548	3	4.473	3.7705	88.761	2.0975	239.551599630007
Cond-009960	GW434756X	GW434756X	5-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	81.2440859337341	Fc1ccc(cc1)c1nn2ccccc2c1c1ccncc1	InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H	C18H12FN3	289.306	3	0	30.19	4	2	0	0.4929	4.36548	3	4.473	3.7705	88.761	2.0975	239.551599630007
Cond-009961	GW435821X	GW435821X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	65.3996129038536	Cc1cc(O)cc(C)c1/C=C/c1cncc(c1)C(=O)N	InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)/b4-3+	C16H16N2O2	268.31	4	3	76.21	2	3	0	0.6567	1.84403	2.78	2.91	31.3289	78.5032	2.1188	257.261599524123
Cond-009962	GW439255X	GW439255X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	92.9672229126983	Cc1cc(O)cc(C)c1/C=C/c1cncc(c1)C(=O)OC(C)(C)C	InChI=1S/C20H23NO3/c1-13-8-17(22)9-14(2)18(13)7-6-15-10-16(12-21-11-15)19(23)24-20(3,4)5/h6-12,22H,1-5H3/b7-6+	C20H23NO3	325.402	4	1	59.42	2	5	1	2.234	3.70043	3.22	5.259	49.6796	95.1538	2.6413	324.239004519985
Cond-009963	GW440139B	GW440139B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	51.8346374482077	c1cc(O)cc(Nc2ccnc3cc(ccc23)c2ccccn2)c1C	InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24)	C21H17N3O	327.379	4	2	58.04	4	3	0	-0.2387	6.253	3.33	4.611	11.3667	104.8567	2.5182	291.525762657063
Cond-009964	GW441756X	GW441756X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	37.3165358299178	Cn1cc(C=C2C(=O)Nc3cccnc23)c2ccccc12	InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)	C17H13N3O	275.305	4	1	46.92	4	1	0	-0.2471	4.01356	2.89	3.143	25.1347	86.3297	2.0406	238.514741555195
Cond-009965	GW445012X	GW445012X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	9.38111579128216	CNC(=O)c1cncc(/C=C/c2c(C)cccc2C)c1	InChI=1S/C17H18N2O/c1-12-5-4-6-13(2)16(12)8-7-14-9-15(11-19-10-14)17(20)18-3/h4-11H,1-3H3,(H,18,20)/b8-7+	C17H18N2O	266.338	3	1	41.99	2	4	1	1.2193	2.39913	3	5.446	34.461	81.7107	2.201	265.767357449428
Cond-009966	GW445012X	GW445012X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	78.1023443741763	CNC(=O)c1cncc(/C=C/c2c(C)cccc2C)c1	InChI=1S/C17H18N2O/c1-12-5-4-6-13(2)16(12)8-7-14-9-15(11-19-10-14)17(20)18-3/h4-11H,1-3H3,(H,18,20)/b8-7+	C17H18N2O	266.338	3	1	41.99	2	4	1	1.2193	2.39913	3	5.446	34.461	81.7107	2.201	265.767357449428
Cond-009967	GW445014X	GW445014X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	10.0551293569884	CNC(=O)c1cncc(/C=C/c2c(Cl)cccc2Cl)c1	InChI=1S/C15H12Cl2N2O/c1-18-15(20)11-7-10(8-19-9-11)5-6-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,18,20)/b6-5+	C15H12Cl2N2O	307.175	3	1	41.99	2	4	0	1.4239	3.59518	2.56	3.515	34.688	84.1847	2.164	261.597523738562
Cond-009968	GW445014X	GW445014X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	83.7133540832344	CNC(=O)c1cncc(/C=C/c2c(Cl)cccc2Cl)c1	InChI=1S/C15H12Cl2N2O/c1-18-15(20)11-7-10(8-19-9-11)5-6-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,18,20)/b6-5+	C15H12Cl2N2O	307.175	3	1	41.99	2	4	0	1.4239	3.59518	2.56	3.515	34.688	84.1847	2.164	261.597523738562
Cond-009969	GW445015X	GW445015X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	23.2622258458909	CNC(=O)c1cncc(/C=C/c2ccccc2C)c1	InChI=1S/C16H16N2O/c1-12-5-3-4-6-14(12)8-7-13-9-15(11-18-10-13)16(19)17-2/h3-11H,1-2H3,(H,17,19)/b8-7+	C16H16N2O	252.311	3	1	41.99	2	4	1	0.5773	2.37111	2.89	5.123	28.9589	78.0707	2.0601	248.471372823562
Cond-009970	GW445017X	GW445017X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	13.3162769986418	CNC(=O)c1cncc(/C=C/c2ccccc2Cl)c1	InChI=1S/C15H13ClN2O/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,17,19)/b7-6+	C15H13ClN2O	272.73	3	1	41.99	2	4	0	0.6796	2.94178	2.67	3.63	29.0724	79.1747	2.0416	246.386455968128
Cond-009971	GW445017X	GW445017X	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	99.9351081777766	CNC(=O)c1cncc(/C=C/c2ccccc2Cl)c1	InChI=1S/C15H13ClN2O/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,17,19)/b7-6+	C15H13ClN2O	272.73	3	1	41.99	2	4	0	0.6796	2.94178	2.67	3.63	29.0724	79.1747	2.0416	246.386455968128
Cond-009972	GW450241X	GW450241X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	7.43639941576366	CCc1cccc(CC)c1/C=C/c1cncc(c1)C(=O)NC	InChI=1S/C19H22N2O/c1-4-15-7-6-8-16(5-2)18(15)10-9-14-11-17(13-21-12-14)19(22)20-3/h6-13H,4-5H2,1-3H3,(H,20,22)/b10-9+	C19H22N2O	294.391	3	1	41.99	2	6	1	0.5491	3.41318	3.22	6.584	44.1578	92.9207000000001	2.4828	300.359326701162
Cond-009973	GW450241X	GW450241X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	67.5633076224676	CCc1cccc(CC)c1/C=C/c1cncc(c1)C(=O)NC	InChI=1S/C19H22N2O/c1-4-15-7-6-8-16(5-2)18(15)10-9-14-11-17(13-21-12-14)19(22)20-3/h6-13H,4-5H2,1-3H3,(H,20,22)/b10-9+	C19H22N2O	294.391	3	1	41.99	2	6	1	0.5491	3.41318	3.22	6.584	44.1578	92.9207000000001	2.4828	300.359326701162
Cond-009974	GW458344A	GW458344A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	50.3235871291491	Cl.Cc1cc(cc(C)c1/C=C/c1cncc(c1)c1nn[nH]n1)c1ccco1	InChI=1S/C20H17N5O.ClH/c1-13-8-16(19-4-3-7-26-19)9-14(2)18(13)6-5-15-10-17(12-21-11-15)20-22-24-25-23-20;/h3-12H,1-2H3,(H,22,23,24,25);1H/b6-5+;	C20H18ClN5O	379.843	6	1	80.49	4	4	1	1.1773	3.53133	3	6.099	26.2419	99.414	2.5769	296.223298447529
Cond-009975	GW458787A	GW458787A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	54.4398255650419	Cl.CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	InChI=1S/C29H28N4O4S.ClH/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21;/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33);1H	C29H29ClN4O4S	565.083	8	2	114.73	5	11	2	-1.4255	6.72817	3.66	6.616	43.0253	152.0194	3.8902	457.240727929047
Cond-009976	GW459057A	GW459057A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	17.3489273161012	Cl.Cc1cc(cc(C)c1/C=C/c1cncc(c1)c1nn[nH]n1)c1ccccn1	InChI=1S/C21H18N6.ClH/c1-14-9-17(20-5-3-4-8-23-20)10-15(2)19(14)7-6-16-11-18(13-22-12-16)21-24-26-27-25-21;/h3-13H,1-2H3,(H,24,25,26,27);1H/b7-6+;	C21H19ClN6	390.869	6	1	80.24	4	4	1	1.3314	2.92814	3.11	6.481	24.6228	103.902	2.7159	313.089357880202
Cond-009977	GW461104B	GW461104B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	49.0375244204396	CS(=O)(=O)CCNCc1nc(cs1)c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1	InChI=1S/C21H19ClFN5O2S2/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27)	C21H19ClFN5O2S2	491.989	7	2	133.49	4	8	0	0.685699999999999	6.13607	2.56	3.912	49.3565	126.0714	3.2866	383.242643210697
Cond-009978	GW513184X	GW513184X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	55.6253614735715	COc1cc(C=NNc2ncnc3n(ncc23)c2ccccc2)ccc1O	InChI=1S/C19H16N6O2/c1-27-17-9-13(7-8-16(17)26)10-22-24-18-15-11-23-25(19(15)21-12-20-18)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,20,21,24)	C19H16N6O2	360.369	8	2	96.93	4	5	0	-0.9535	4.07856	2.67	4.463	23.6294	108.2937	2.5945	298.714300730391
Cond-009979	GW549034X	GW549034X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	73.8992186246048	CCn1c(nc2ccccc12)c1nonc1N	InChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)	C11H11N5O	229.238	6	2	82.76	3	2	0	-0.5381	3.35756	2.01	1.8	18.7297	68.1594	1.6324	176.998189019528
Cond-009980	GW549390X	GW549390X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	63.6864859417851	N(c1ncc(o1)c1ccccc1)c1ccccc1	InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)14-11-16-15(18-14)17-13-9-5-2-6-10-13/h1-11H,(H,16,17)	C15H12N2O	236.269	3	1	38.06	3	3	1	-0.5745	5.13888	2.78	5.467	4.9191	73.8317	1.8106	207.918929496895
Cond-009981	GW559768X	GW559768X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	29.0628012288386	Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(=O)(=O)C	InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)	C17H16N2O3S	328.386	5	2	87.67	3	3	0	-0.5616	3.9036	2.67	2.804	25.705	85.2635	2.3733	278.600376207351
Cond-009982	GW561436X	GW561436X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	11.8664719082977	Fc1ccc(cc1)c1nn2cc(ccc2c1c1ccnc(NC2CC2)n1)C#N	InChI=1S/C21H15FN6/c22-15-4-2-14(3-5-15)20-19(18-8-1-13(11-23)12-28(18)27-20)17-9-10-24-21(26-17)25-16-6-7-16/h1-5,8-10,12,16H,6-7H2,(H,24,25,26)	C21H15FN6	370.382	6	1	78.9	5	4	0	-0.5192	4.61158	3	3.673	22.4902	107.2987	2.625	306.800458029708
Cond-009983	GW561436X	GW561436X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	94.5568883604881	Fc1ccc(cc1)c1nn2cc(ccc2c1c1ccnc(NC2CC2)n1)C#N	InChI=1S/C21H15FN6/c22-15-4-2-14(3-5-15)20-19(18-8-1-13(11-23)12-28(18)27-20)17-9-10-24-21(26-17)25-16-6-7-16/h1-5,8-10,12,16H,6-7H2,(H,24,25,26)	C21H15FN6	370.382	6	1	78.9	5	4	0	-0.5192	4.61158	3	3.673	22.4902	107.2987	2.625	306.800458029708
Cond-009984	GW566221B	GW566221B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	64.4691819707126	S(=O)(=O)(CCNCc1cc(c2ccc3ncnc(Nc4ccc(cc4)OCc4ccccc4)c3c2)oc1)C.Cl.Cl	InChI=1S/C29H28N4O4S.2ClH/c1-38(34,35)14-13-30-17-22-15-28(37-19-22)23-7-12-27-26(16-23)29(32-20-31-27)33-24-8-10-25(11-9-24)36-18-21-5-3-2-4-6-21;;/h2-12,15-16,19-20,30H,13-14,17-18H2,1H3,(H,31,32,33);2*1H	C29H30Cl2N4O4S	601.544	8	2	114.73	5	11	2	-1.4255	6.72817	3.66	6.231	43.0253	152.0194	3.8902	457.240727929047
Cond-009985	GW567808A	GW567808A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	42.8331746622344	Cl.CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1	InChI=1S/C30H27F3N4O4S.ClH/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33;/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37);1H	C30H28ClF3N4O4S	633.081	8	2	114.73	5	12	2	-0.327400000000001	7.40587000000001	3.44	7.308	49.4599	156.2434	4.08420000000001	492.739389105833
Cond-009986	GW568326X	GW568326X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	69.7866757518193	Nc1nccc(n1)c1c(nn2cc(ccc12)C(F)(F)F)c1ccc(F)cc1	InChI=1S/C18H11F4N5/c19-12-4-1-10(2-5-12)16-15(13-7-8-24-17(23)25-13)14-6-3-11(18(20,21)22)9-27(14)26-16/h1-9H,(H2,23,24,25)	C18H11F4N5	373.307	5	2	69.1	4	3	0	0.8411	4.42557	2.45	4.506	14.4272	96.2334	2.3502	279.74779659726
Cond-009987	GW568377B	GW568377B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	67.6903355134992	S(=O)(=O)(CCNCc1c(c2ccc3ncnc(Nc4ccc(cc4)OCc4ccccc4)c3c2)occ1)C.Cl	InChI=1S/C29H28N4O4S.ClH/c1-38(34,35)16-14-30-18-23-13-15-36-28(23)22-7-12-27-26(17-22)29(32-20-31-27)33-24-8-10-25(11-9-24)37-19-21-5-3-2-4-6-21;/h2-13,15,17,20,30H,14,16,18-19H2,1H3,(H,31,32,33);1H	C29H29ClN4O4S	565.083	8	2	114.73	5	11	2	-1.4255	6.72817	3.66	6.231	43.0253	152.0194	3.8902	457.240727929047
Cond-009988	GW569293X	GW569293X	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	84.9554786697423	c1nc(nc(c1)c1c(nn2c1ccc(c2)C(F)(F)F)c1ccc(cc1)F)NCCCO	InChI=1S/C21H17F4N5O/c22-15-5-2-13(3-6-15)19-18(16-8-10-27-20(28-16)26-9-1-11-31)17-7-4-14(21(23,24)25)12-30(17)29-19/h2-8,10,12,31H,1,9,11H2,(H,26,27,28)	C21H17F4N5O	431.386	6	2	75.34	4	7	0	0.4455	4.63767	2.67	4.974	28.4057	112.0135	2.8316	340.425977175422
Cond-009989	GW569293X	GW569293X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	14.3837312281336	c1nc(nc(c1)c1c(nn2c1ccc(c2)C(F)(F)F)c1ccc(cc1)F)NCCCO	InChI=1S/C21H17F4N5O/c22-15-5-2-13(3-6-15)19-18(16-8-10-27-20(28-16)26-9-1-11-31)17-7-4-14(21(23,24)25)12-30(17)29-19/h2-8,10,12,31H,1,9,11H2,(H,26,27,28)	C21H17F4N5O	431.386	6	2	75.34	4	7	0	0.4455	4.63767	2.67	4.974	28.4057	112.0135	2.8316	340.425977175422
Cond-009990	GW569530A	GW569530A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	110.581135191337	Cl.CS(=O)(=O)CCNCc1nc(cs1)c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1	InChI=1S/C29H26F3N5O3S2.ClH/c1-42(38,39)12-11-33-15-27-37-26(17-41-27)20-5-10-25-24(14-20)28(35-18-34-25)36-22-6-8-23(9-7-22)40-16-19-3-2-4-21(13-19)29(30,31)32;/h2-10,13-14,17-18,33H,11-12,15-16H2,1H3,(H,34,35,36);1H	C29H27ClF3N5O3S2	650.135	8	2	142.72	5	12	2	0.417299999999999	7.26077000000001	3.22	7.013	55.6343	155.3454	4.1479	496.158962045172
Cond-009991	GW572399X	GW572399X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.632791470459	NS(=O)(=O)c1ccc(Nc2ncc(o2)c2ccccc2)cc1	InChI=1S/C15H13N3O3S/c16-22(19,20)13-8-6-12(7-9-13)18-15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)	C15H13N3O3S	315.347	6	3	106.6	3	4	0	-1.511	3.89498	2.34	3.34	16.0607	79.8601	2.1913	255.005167163784
Cond-009992	GW572401X	GW572401X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	72.9726413840221	CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2ccccc2)c1	InChI=1S/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22)	C20H23N3O4S	401.479	7	1	93.05	3	8	0	-0.857399999999999	5.78747	2.78	4.371	43.3575	107.2067	2.9545	350.27531699368
Cond-009993	GW574782A	GW574782A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	28.494668471148	Cl.CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1	InChI=1S/C30H27F3N4O4S.ClH/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20;/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37);1H	C30H28ClF3N4O4S	633.081	8	2	114.73	5	12	2	-0.327400000000001	7.96137000000001	3.44	7.73	49.4599	158.5704	4.08420000000001	492.739389105833
Cond-009994	GW574783B	GW574783B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	37.9629626267697	Cl.CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1	InChI=1S/C29H27ClN4O4S.ClH/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20;/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34);1H	C29H28Cl2N4O4S	599.528	8	2	114.73	5	11	2	-0.6812	7.38157	3.55	6.712	48.6409	157.0294	4.01260000000001	472.45179569948
Cond-009995	GW575533A	GW575533A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	76.8396670650718	Cl.COc1ccc(Nc2ncc(o2)c2ccccc2)cc1OC	InChI=1S/C17H16N2O3.ClH/c1-20-14-9-8-13(10-15(14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12;/h3-11H,1-2H3,(H,18,19);1H	C17H17ClN2O3	332.781	5	1	56.52	3	5	0	-0.6781	5.15608	2.78	4.368	19.5507	86.9357000000001	2.2098	260.091352149751
Cond-009996	GW575808A	GW575808A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	71.397868127543	Cl.Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(=O)N)n2)cc1O	InChI=1S/C18H17N5O2.ClH/c1-11-5-6-14(10-15(11)24)21-16-7-8-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25;/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23);1H	C18H18ClN5O2	371.821	7	5	113.16	3	5	0	-1.2939	4.39019	2.67	2.506	22.1082	101.4968	2.5054	296.314473297957
Cond-009997	GW576484X	GW576484X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	29.0851277442881	CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1	InChI=1S/C30H26F4N4O4S/c1-43(39,40)12-11-35-16-23-7-10-27(42-23)20-5-8-26-24(14-20)29(37-18-36-26)38-22-6-9-28(25(15-22)30(32,33)34)41-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,35H,11-12,16-17H2,1H3,(H,36,37,38)	C30H26F4N4O4S	614.61	8	2	114.73	5	12	2	0.152299999999999	8.10047	3.33	7.056	50.3324	158.5284	4.1019	498.806947956139
Cond-009998	GW576609A	GW576609A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	54.6333816661294	OC(=O)C(F)(F)F.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1	InChI=1S/C30H26ClFN4O3S.C2HF3O2/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36;3-2(4,5)1(6)7/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35);(H,6,7)	C32H27ClF4N4O5S	691.092	7	1	99.7	6	8	1	0.0569999999999994	7.73567000000001	3.66	5.194	53.3627	158.8142	4.0039	474.668653774292
Cond-009999	GW576924A	GW576924A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	60.6237798857418	Cl.Fc1cc(Nc2ncnc3ccc(cc23)c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1	InChI=1S/C30H27FN4O3S.ClH/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35;/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34);1H	C30H28ClFN4O3S	579.085	7	1	99.7	6	8	1	-0.687300000000001	7.08227000000001	3.77	5.731	47.7471	153.8042	3.8815	459.457586003859
Cond-010000	GW577921A	GW577921A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	9.90497042315594	Cl.COc1ccccc1Nc1ncc(o1)c1ccccc1	InChI=1S/C16H14N2O2.ClH/c1-19-14-10-6-5-9-13(14)18-16-17-11-15(20-16)12-7-3-2-4-8-12;/h2-11H,1H3,(H,17,18);1H	C16H15ClN2O2	302.755	4	1	47.29	3	4	0	-0.6263	5.14748	2.78	4.812	12.2349	80.3837	2.0102	234.005140823323
Cond-010001	GW577921A	GW577921A	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	94.0945033034101	Cl.COc1ccccc1Nc1ncc(o1)c1ccccc1	InChI=1S/C16H14N2O2.ClH/c1-19-14-10-6-5-9-13(14)18-16-17-11-15(20-16)12-7-3-2-4-8-12;/h2-11H,1H3,(H,17,18);1H	C16H15ClN2O2	302.755	4	1	47.29	3	4	0	-0.6263	5.14748	2.78	4.812	12.2349	80.3837	2.0102	234.005140823323
Cond-010002	GW578748X	GW578748X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	98.6936719781442	COc1cc(/C=N/Nc2ncnc3[nH]ncc23)ccc1O	InChI=1S/C13H12N6O2/c1-21-11-4-8(2-3-10(11)20)5-16-18-12-9-6-17-19-13(9)15-7-14-12/h2-7,20H,1H3,(H2,14,15,17,18,19)/b16-5+	C13H12N6O2	284.273	8	3	108.31	3	4	0	-1.3871	1.70467	2.01	2.344	24.0314	82.2667	1.9867	226.10422777839
Cond-010003	GW580496A	GW580496A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	42.1964119649193	Cl.CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1	InChI=1S/C29H27BrN4O4S.ClH/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20;/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34);1H	C29H28BrClN4O4S	643.979	8	2	114.73	5	11	2	-0.5367	7.49067000000001	3.55	7.05	51.6244	159.7194	4.06520000000001	476.524346906614
Cond-010004	GW580509X	GW580509X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	46.3446805353351	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2cccc(OC)c2)c1	InChI=1S/C19H20N2O5S/c1-4-27(22,23)15-8-9-17(25-3)16(11-15)21-19-20-12-18(26-19)13-6-5-7-14(10-13)24-2/h5-12H,4H2,1-3H3,(H,20,21)	C19H20N2O5S	388.437	7	1	99.04	3	7	0	-0.7506	5.55917	2.67	3.239	38.1828	101.3787	2.7725	330.772798860207
Cond-010005	GW581744X	GW581744X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	76.5189724291191	NC(=O)c1ccc2c(c(nn2c1)c1ccc(F)cc1)c1ccnc(NCCCO)n1	InChI=1S/C21H19FN6O2/c22-15-5-2-13(3-6-15)19-18(16-8-10-25-21(26-16)24-9-1-11-29)17-7-4-14(20(23)30)12-28(17)27-19/h2-8,10,12,29H,1,9,11H2,(H2,23,30)(H,24,25,26)	C21H19FN6O2	406.413	8	4	118.43	4	7	0	-1.2874	2.96098	2.78	2.369	29.4126	116.1529	2.894	339.373828832431
Cond-010006	GW583373A	GW583373A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	33.342978787605	Cl.Clc1cc(Nc2ncnc3ccc(cc23)c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1	InChI=1S/C30H27ClN4O3S.ClH/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35;/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34);1H	C30H28Cl2N4O3S	595.539	7	1	99.7	6	8	1	-0.422700000000001	7.59657000000001	3.77	5.868	52.4902	158.8562	3.9862	468.601094923986
Cond-010007	GW589933X	GW589933X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.407536191876	NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1	InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)	C16H12N4O3S2	372.421	7	4	150.8	4	3	0	-1.6499	3.00975	2.23	1.307	38.0168	91.4708	2.4439	286.814018653818
Cond-010008	GW589961A	GW589961A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	105.199636883199	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1	InChI=1S/C22H18ClN5O4.ClH/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15;/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30);1H	C22H19Cl2N5O4	488.323	9	4	117.37	4	9	1	-0.4396	7.05315	2.78	5.236	34.9668	129.6051	3.11420000000001	369.76055687058
Cond-010009	GW607049B	GW607049B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	56.7833192520769	C(=O)(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)Sc1ccc2c(c1)[nH]c(n2)NC(=O)OC.CS(=O)(=O)O	InChI=1S/C23H17F4N5O3S.CH4O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24;1-5(2,3)4/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34);1H3,(H,2,3,4)	C24H21F4N5O6S2	615.577	8	4	133.44	4	10	1	1.1386	6.50775000000001	2.56	6.544	42.8327	126.4171	3.30830000000001	405.834506484277
Cond-010010	GW607117X	GW607117X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	92.4650750874656	Cc1nnc(o1)c1ccc(C)c(c1)c1ccc(cc1)C(=O)Nc1cccc(c1)C#N	InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)	C24H18N4O2	394.425	6	1	91.81	4	5	1	-0.0608999999999999	5.20653	3.44	7.262	26.66	116.1532	2.9704	355.291327340991
Cond-010011	GW612286X	GW612286X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	41.8006833184479	COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC	InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)	C21H22N6O3	406.438	9	3	106.21	4	7	0	-0.9771	5.88248	2.78	3.255	37.5799	118.7364	2.978	344.732955383485
Cond-010012	GW615311X	GW615311X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	122.798429351497	Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c3ccc(COCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1	InChI=1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-22-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,38,39)	C34H27ClFN3O5S	644.112	8	1	111.93	6	12	2	-0.0374999999999998	8.81006	3.99	8.297	42.1358	169.3727	4.45610000000001	531.626909368314
Cond-010013	GW616030X	GW616030X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	126.378438107003	CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	InChI=1S/C31H27ClFN5O4S/c1-43(39,40)14-13-38(12-11-34)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(36-20-35-28)37-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21/h2-10,15-17,20H,12-14,18-19H2,1H3,(H,35,36,37)	C31H27ClFN5O4S	620.094	9	1	129.73	5	12	2	0.0650000000000019	7.82286000000001	3.55	5.77	59.872	167.6887	4.3259	518.835166608087
Cond-010014	GW618013X	GW618013X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	66.6107424659722	c1(c(c2n(n1)cc(cc2)C(F)(F)F)c1ccnc(n1)NCCCN(C)C)c1ccc(cc1)F	InChI=1S/C23H22F4N6/c1-32(2)13-3-11-28-22-29-12-10-18(30-22)20-19-9-6-16(23(25,26)27)14-33(19)31-21(20)15-4-7-17(24)8-5-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,28,29,30)	C23H22F4N6	458.455	6	1	58.35	4	8	1	1.1236	5.20697000000001	2.89	5.107	40.1325	123.4817	3.1545	377.224479934761
Cond-010015	GW621431X	GW621431X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	72.9386428837334	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2cccc(c2)C(=O)C)c1	InChI=1S/C20H20N2O5S/c1-4-28(24,25)16-8-9-18(26-3)17(11-16)22-20-21-12-19(27-20)15-7-5-6-14(10-15)13(2)23/h5-12H,4H2,1-3H3,(H,21,22)	C20H20N2O5S	400.448	7	1	106.88	3	7	0	-0.9527	5.71377	2.78	3.396	41.6374	112.3027	2.8704	345.432324785274
Cond-010016	GW621823A	GW621823A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	85.5212053491141	Cl.CCCN(CCS(=O)(=O)C)Cc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	InChI=1S/C32H32ClFN4O4S.ClH/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22;/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36,37);1H	C32H33Cl2FN4O4S	659.598	8	1	105.94	5	13	2	0.00699999999999917	8.64307000000001	3.77	7.058	62.6339	170.8487	4.453	530.407308427386
Cond-010017	GW621970A	GW621970A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	107.809450168215	c1nc(oc1c1cc(ccc1)F)Nc1cc(ccc1OC)S(=O)(=O)CC.OC(=O)C(=O)O	InChI=1S/C18H17FN2O4S.C2H2O4/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12;3-1(4)2(5)6/h4-11H,3H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)	C20H19FN2O8S	466.437	6	1	89.81	3	6	0	-0.219099999999999	5.68967	2.56	3.642	31.7395	94.7847	2.5906	310.754146384086
Cond-010018	GW622055X	GW622055X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	61.5215295901172	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2ccccc2Cl)c1	InChI=1S/C18H17ClN2O4S/c1-3-26(22,23)12-8-9-16(24-2)15(10-12)21-18-20-11-17(25-18)13-6-4-5-7-14(13)19/h4-11H,3H2,1-2H3,(H,20,21)	C18H17ClN2O4S	392.857	6	1	89.81	3	6	0	0.0455000000000006	6.20397	2.56	3.99	36.4826	99.8367	2.6953	319.897655304213
Cond-010019	GW627512B	GW627512B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	94.4750716996368	COc1cc(Nc2ncc(o2)c2ccccc2)cc(OC)c1OC	InChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)	C18H18N2O4	326.347	6	1	65.75	3	6	0	-0.7299	5.16468	2.78	3.924	26.8665	93.4877	2.4094	286.177563476179
Cond-010020	GW631581B	GW631581B	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	90.1051865980432	COc1cc(Nc2ncc(o2)c2ccccc2)cc(OC)c1	InChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)	C17H16N2O3	296.321	5	1	56.52	3	5	0	-0.6781	5.15608	2.78	4.368	19.5507	86.9357000000001	2.2098	260.091352149751
Cond-010021	GW632046X	GW632046X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	85.2250489688564	Cc1cccc(Nc2ncc(o2)c2ccccc2)c1	InChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)	C16H14N2O	250.295	3	1	38.06	3	3	1	0.0675000000000001	5.1669	2.89	5.79	10.4212	77.4717	1.9515	225.214914122762
Cond-010022	GW632580X	GW632580X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.872321013418	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)	C20H22N4O3	366.414	7	4	105.51	3	7	0	-1.2897	3.16599	2.89	2.669	34.0081	104.5538	2.7891	331.336367742885
Cond-010023	GW633459A	GW633459A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	88.1700756945579	Cl.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c3ccc(CNCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1	InChI=1S/C34H28ClFN4O4S.ClH/c35-30-19-26(10-13-33(30)43-21-23-5-4-6-25(36)17-23)40-34-29-18-24(9-12-31(29)38-22-39-34)32-14-11-27(44-32)20-37-15-16-45(41,42)28-7-2-1-3-8-28;/h1-14,17-19,22,37H,15-16,20-21H2,(H,38,39,40);1H	C34H29Cl2FN4O4S	679.588	8	2	114.73	6	12	2	-0.3038	8.38306	3.99	8.101	43.8167	171.4234	4.49720000000001	533.833442875919
Cond-010024	GW641155B	GW641155B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	109.087574820196	c1ccc(cc1)c1cnc(o1)Nc1ccc(cc1)Oc1ccccc1	InChI=1S/C21H16N2O2/c1-3-7-16(8-4-1)20-15-22-21(25-20)23-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)	C21H16N2O2	328.364	4	1	47.29	4	5	1	-0.7286	7.43197	3.33	7.355	6.5382	102.4087	2.4771	289.319229149457
Cond-010025	GW642125X	GW642125X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	87.0925247839558	COc1ccc(cc1)c1coc2ncnc(N)c12	InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3,(H2,14,15,16)	C13H11N3O2	241.245	5	2	74.17	3	2	0	-0.9558	3.33938	2.34	1.598	13.157	71.1704	1.7303	195.750405854689
Cond-010026	GW642138X	GW642138X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	55.8113593042127	COc1ccc(cc1)c1cc2c(N)ncnc2o1	InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-6-10-12(14)15-7-16-13(10)18-11/h2-7H,1H3,(H2,14,15,16)	C13H11N3O2	241.245	5	2	74.17	3	2	0	-0.9558	3.33938	2.34	1.983	13.157	71.1704	1.7303	195.750405854689
Cond-010027	GW643971X	GW643971X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	116.254894911212	COc1cc(C=NNc2ncnc3n(Cc4ccccc4)ncc23)ccc1O	InChI=1S/C20H18N6O2/c1-28-18-9-15(7-8-17(18)27)10-23-25-19-16-11-24-26(20(16)22-13-21-19)12-14-5-3-2-4-6-14/h2-11,13,27H,12H2,1H3,(H,21,22,25)	C20H18N6O2	374.396	8	2	97.45	4	6	0	-0.9419	3.98057	2.78	4.828	28.3416	111.3037	2.7354	316.010285356257
Cond-010028	GW644007X	GW644007X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	14.5670252147236	COc1cc(ccc1O)/C=N/Nc1ncnc2n(ncc12)C(C)C	InChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-10,23H,1-3H3,(H,17,18,21)/b19-7+	C16H18N6O2	326.353	8	2	97.45	3	5	0	-0.9013	3.64606	2.34	2.803	38.8247	96.8997	2.4094	277.99218165599
Cond-010029	GW644007X	GW644007X	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	88.9460931933463	COc1cc(ccc1O)/C=N/Nc1ncnc2n(ncc12)C(C)C	InChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-10,23H,1-3H3,(H,17,18,21)/b19-7+	C16H18N6O2	326.353	8	2	97.45	3	5	0	-0.9013	3.64606	2.34	2.803	38.8247	96.8997	2.4094	277.99218165599
Cond-010030	GW651576X	GW651576X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.6888429984529	Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccc3)cc2Cl)c1	InChI=1S/C25H17ClFN3O/c26-23-14-22(11-12-24(23)31-16-19-7-4-8-21(27)13-19)30-25-20(15-28-17-29-25)10-9-18-5-2-1-3-6-18/h1-8,11-15,17H,16H2,(H,28,29,30)	C25H17ClFN3O	429.873	4	1	47.04	4	5	1	1.2515	6.49356	3.55	8.437	24.6828	122.9587	3.0929	374.078951678869
Cond-010031	GW654652X	GW654652X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	43.5522557163146	c1c(cc2c(c1)c(n[nH]2)C)N(C)c1ccnc(n1)Nc1c(ccc(c1)S(=O)(=O)CC)OC	InChI=1S/C22H24N6O3S/c1-5-32(29,30)16-7-9-20(31-4)19(13-16)24-22-23-11-10-21(25-22)28(3)15-6-8-17-14(2)26-27-18(17)12-15/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)	C22H24N6O3S	452.529	9	2	121.48	4	7	0	-0.4101	6.21967000000001	2.78	3.886	46.8751	125.0367	3.2824	380.537964066952
Cond-010032	GW659386A	GW659386A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	65.3715783252932	Cl.COC(=O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)ccc2[nH]1	InChI=1S/C23H17F4N5O4.ClH/c1-35-22(34)32-20-29-17-8-6-15(11-19(17)30-20)36-14-4-2-3-13(10-14)28-21(33)31-18-9-12(23(25,26)27)5-7-16(18)24;/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34);1H	C23H18ClF4N5O4	539.867	9	4	117.37	4	10	1	0.3939	7.21655000000001	2.56	6.213	36.6583	128.7771	3.20350000000001	396.115709127239
Cond-010033	GW659893X	GW659893X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	43.2974566570489	Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,29,30,31)	C25H18ClFN4O	444.888	5	3	73.06	4	5	1	0.5016	6.07576	3.44	6.352	28.9049	127.3711	3.1927	385.075711887036
Cond-010034	GW673715X	GW673715X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	115.168125690277	CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1	InChI=1S/C24H23N5O4/c1-3-15-5-4-6-17(13-15)26-23(30)25-16-7-9-18(10-8-16)33-19-11-12-20-21(14-19)28-22(27-20)29-24(31)32-2/h4-14H,3H2,1-2H3,(H2,25,26,30)(H2,27,28,29,31)	C24H23N5O4	445.471	9	4	117.37	4	10	1	-0.877	6.96215000000001	3.11	6.243	39.7017	133.9731	3.27360000000001	389.14145835188
Cond-010035	GW679410X	GW679410X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	42.5804090833469	COc1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C20H16N4O/c1-25-16-7-5-14(6-8-16)19-12-15(9-11-22-19)17-13-23-24-20(17)18-4-2-3-10-21-18/h2-13H,1H3,(H,23,24)	C20H16N4O	328.367	5	1	63.69	4	4	0	-0.4722	4.68298	3.11	4.432	10.6158	102.204	2.4771	285.226538239363
Cond-010036	GW680191X	GW680191X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	95.2922184625303	CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1	InChI=1S/C23H26N4O3S/c1-3-18-7-6-8-19(15-18)27-23-21-16-20(9-10-22(21)25-17-26-23)30-13-5-4-11-24-12-14-31(2,28)29/h1,6-10,15-17,24H,4-5,11-14H2,2H3,(H,25,26,27)	C23H26N4O3S	438.543	7	2	101.59	3	11	1	-1.0825	5.81436000000001	3.11	4.113	54.9936	127.2514	3.3323	399.096886977286
Cond-010037	GW680908A	GW680908A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	121.95450164157	Cl.COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1	InChI=1S/C23H17F4N5O5S.ClH/c1-37-22(34)32-20-29-17-9-7-15(11-19(17)30-20)38(35,36)14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24;/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34);1H	C23H18ClF4N5O5S	587.931	10	4	150.66	4	10	0	0.1228	6.27015	2.34	4.822	43.6808	127.7901	3.4257	423.4149598854
Cond-010038	GW680975X	GW680975X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	44.6428587484361	Fc1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C19H13FN4/c20-15-6-4-13(5-7-15)18-11-14(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)	C19H13FN4	316.332	4	1	54.46	4	3	0	0.0593	4.06938	3	4.835	4.1725	96.704	2.2952	265.207885763241
Cond-010039	GW682841X	GW682841X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	11.0729933086309	CC(C)c1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)	C22H20N4	340.421	4	1	54.46	4	4	1	0.1525	5.79778	3.44	6.909	17.5678	109.741	2.7002	311.028280790535
Cond-010040	GW682841X	GW682841X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	80.5897260146239	CC(C)c1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)	C22H20N4	340.421	4	1	54.46	4	4	1	0.1525	5.79778	3.44	6.909	17.5678	109.741	2.7002	311.028280790535
Cond-010041	GW683134A	GW683134A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	45.2850860073668	Cl.Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccco4)nc3c2)cc1)C(F)(F)F	InChI=1S/C26H17F4N5O4.ClH/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22;/h1-13H,(H2,31,34,37)(H2,32,33,35,36);1H	C26H18ClF4N5O4	575.899	9	4	121.28	5	10	1	-0.4133	8.28874	2.89	6.765	31.2294	140.4516	3.43160000000001	419.474286902439
Cond-010042	GW683768X	GW683768X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	40.7118914460141	CCc1nn2ncccc2c1c1ccnc(NC2CC2)n1	InChI=1S/C15H16N6/c1-2-11-14(13-4-3-8-17-21(13)20-11)12-7-9-16-15(19-12)18-10-5-6-10/h3-4,7-10H,2,5-6H2,1H3,(H,16,18,19)	C15H16N6	280.328	6	1	68	4	4	0	-1.2703	3.18178	2.45	2.406	24.2294	83.0017	2.0855	233.395743629001
Cond-010043	GW684626B	GW684626B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	98.4045668875279	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c3cccs3)cc2Cl)c1	InChI=1S/C23H15ClFN3OS2/c24-18-10-16(6-7-19(18)29-12-14-3-1-4-15(25)9-14)28-22-17-11-21(20-5-2-8-30-20)31-23(17)27-13-26-22/h1-11,13H,12H2,(H,26,27,28)	C23H15ClFN3OS2	467.966	4	1	103.52	5	6	1	1.8423	8.41096	3.11	6.574	31.7064	131.8027	3.1155	358.521489243136
Cond-010044	GW693481X	GW693481X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	34.9832234541331	Nc1nc(c(s1)c1ccc2ncccc2n1)c1ccccn1	InChI=1S/C16H11N5S/c17-16-21-14(12-4-1-2-8-19-12)15(22-16)13-7-6-10-11(20-13)5-3-9-18-10/h1-9H,(H2,17,21)	C16H11N5S	305.357	5	2	105.82	4	2	0	-0.1593	4.70987	2.56	2.89	12.0156	93.1804	2.1611	239.394616001901
Cond-010045	GW693917X	GW693917X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	99.5329409159653	c12sc(nc1ccc(c2)Oc1ccc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F)NC(=O)OC	InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)	C23H16F4N4O4S	520.456	8	3	129.82	4	10	1	1.4049	8.43185	2.56	6.236	41.1518	131.8711	3.2672	403.627972976672
Cond-010046	GW694234A	GW694234A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	108.503900916283	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1	InChI=1S/C22H18BrN5O4.ClH/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15;/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30);1H	C22H19BrClN5O4	532.774	9	4	117.37	4	9	1	-0.2951	7.16225	2.78	5.574	37.9503	132.2951	3.16680000000001	373.833108077713
Cond-010047	GW694590A	GW694590A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	122.112919391874	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccc2[nH]1	InChI=1S/C22H19N5O4.ClH/c1-30-22(29)27-20-25-18-12-11-17(13-19(18)26-20)31-16-9-7-15(8-10-16)24-21(28)23-14-5-3-2-4-6-14;/h2-13H,1H3,(H2,23,24,28)(H2,25,26,27,29);1H	C22H20ClN5O4	453.878	9	4	117.37	4	9	1	-1.1839	6.39975	2.89	5.351	29.3512	124.5951	2.99180000000001	354.549489100146
Cond-010048	GW695874X	GW695874X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	80.2997065008639	C(CN1CCOCC1)Oc1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29)	C25H25N5O2	427.498	7	1	76.16	5	7	0	-0.6458	4.38538000000001	3.44	3.885	37.7094	128.406	3.2315	379.136989576625
Cond-010049	GW700494X	GW700494X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	22.6486356324087	c12[nH]c(nc1ccc(c2)Oc1ccc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F)NCCCN1CCN(CC1)C	InChI=1S/C29H31F4N7O2/c1-39-13-15-40(16-14-39)12-2-11-34-27-36-24-10-8-22(18-26(24)37-27)42-21-6-4-20(5-7-21)35-28(41)38-25-17-19(29(31,32)33)3-9-23(25)30/h3-10,17-18H,2,11-16H2,1H3,(H2,34,36,37)(H2,35,38,41)	C29H31F4N7O2	585.596	9	4	97.55	5	12	2	-0.134499999999999	7.49284000000001	3.22	5.581	68.1463	160.8341	4.0655	494.584683897651
Cond-010050	GW701032X	GW701032X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	69.4630862415323	COc1ccc(CNC(=O)c2ccc(cc2)c2cc(ccc2C)c2nnc(C)o2)cc1	InChI=1S/C25H23N3O3/c1-16-4-7-21(25-28-27-17(2)31-25)14-23(16)19-8-10-20(11-9-19)24(29)26-15-18-5-12-22(30-3)13-6-18/h4-14H,15H2,1-3H3,(H,26,29)	C25H23N3O3	413.468	6	1	77.25	4	7	1	-0.135799999999999	4.58383	3.55	7.413	32.4894	121.9547	3.1562	375.653695860852
Cond-010051	GW701427A	GW701427A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	108.662280216044	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(=O)O)cc3)ccc2[nH]1	InChI=1S/C23H19N5O6.ClH/c1-33-23(32)28-21-26-18-10-9-17(12-19(18)27-21)34-16-7-5-14(6-8-16)24-22(31)25-15-4-2-3-13(11-15)20(29)30;/h2-12H,1H3,(H,29,30)(H2,24,25,31)(H2,26,27,28,32);1H	C23H20ClN5O6	497.888	11	5	154.67	4	10	0	-1.4237	6.27345	2.78	4.377	36.5705	132.5199	3.20710000000001	386.789468426335
Cond-010052	GW703087X	GW703087X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	62.6223127880615	CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33)	C27H20ClFN4O2	486.925	6	2	76.14	4	7	1	0.6266	7.12406	3.55	6.628	37.5487	136.5524	3.49020000000001	425.821449138531
Cond-010053	GW708336X	GW708336X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	11.7539143190513	C1CC1Nc1nccc(n1)c1cnn2nc(ccc12)N1CCOCC1	InChI=1S/C17H19N7O/c1-2-12(1)20-17-18-6-5-14(21-17)13-11-19-24-15(13)3-4-16(22-24)23-7-9-25-10-8-23/h3-6,11-12H,1-2,7-10H2,(H,18,20,21)	C17H19N7O	337.379	8	1	80.47	5	4	0	-1.1281	2.86117	2.45	1.25	38.785	97.6967	2.4172	275.418241088663
Cond-010054	GW708336X	GW708336X	5-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	84.7956258612883	C1CC1Nc1nccc(n1)c1cnn2nc(ccc12)N1CCOCC1	InChI=1S/C17H19N7O/c1-2-12(1)20-17-18-6-5-14(21-17)13-11-19-24-15(13)3-4-16(22-24)23-7-9-25-10-8-23/h3-6,11-12H,1-2,7-10H2,(H,18,20,21)	C17H19N7O	337.379	8	1	80.47	5	4	0	-1.1281	2.86117	2.45	1.25	38.785	97.6967	2.4172	275.418241088663
Cond-010055	GW711782X	GW711782X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	106.849316866076	C(Cn1ccnc1)Oc1ccc(cc1)c1cc(ccn1)c1c[nH]nc1c1ccccn1	InChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29)	C24H20N6O	408.455	7	1	81.51	5	7	0	-0.5381	5.45067000000001	3.33	4.352	17.2415	125.435	3.0457	347.874621056763
Cond-010056	GW734508X	GW734508X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	71.9663701417912	Cc1nnc(o1)c1cccc(c1)c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C20H19N3O2/c1-13-22-23-20(25-13)18-4-2-3-17(11-18)15-7-9-16(10-8-15)19(24)21-12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,24)	C20H19N3O2	333.384	5	1	68.02	4	6	1	-0.520899999999999	4.09651	3.11	5.997	31.3779	99.9637	2.522	299.192922133357
Cond-010057	GW743024X	GW743024X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	47.0637580177083	Cc1ccc(NC(=O)c2ccoc2)cc1c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)	C23H22N2O3	374.432	5	2	71.34	4	8	1	-0.564999999999999	4.9836	3.44	5.273	38.4228	111.3849	2.8606	346.237883802552
Cond-010058	GW759710A	GW759710A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	19.6881082416855	Cl.NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1	InChI=1S/C17H14FN5O.ClH/c18-12-4-2-6-14(10-12)21-15-7-8-20-17(23-15)22-13-5-1-3-11(9-13)16(19)24;/h1-10H,(H2,19,24)(H2,20,21,22,23);1H	C17H15ClFN5O	359.785	6	4	92.93	3	5	0	-0.9959	4.37037	2.56	3.316	14.914	93.4648	2.3235	276.295820821835
Cond-010059	GW759710A	GW759710A	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	108.111941947131	Cl.NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1	InChI=1S/C17H14FN5O.ClH/c18-12-4-2-6-14(10-12)21-15-7-8-20-17(23-15)22-13-5-1-3-11(9-13)16(19)24;/h1-10H,(H2,19,24)(H2,20,21,22,23);1H	C17H15ClFN5O	359.785	6	4	92.93	3	5	0	-0.9959	4.37037	2.56	3.316	14.914	93.4648	2.3235	276.295820821835
Cond-010060	GW769076X	GW769076X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.560885865246	Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)	C28H30N4O2	454.563	6	2	74.33	5	9	1	-0.950499999999999	5.79099000000001	3.88	6.26	54.9493	139.4019	3.5544	430.928183246058
Cond-010061	GW770220A	GW770220A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	66.4872832852444	Cl.CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(=O)(=O)N)n1	InChI=1S/C20H21N7O2S.ClH/c1-13-17-8-7-15(12-18(17)27(3)25-13)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29;/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24);1H	C20H22ClN7O2S	459.952	9	3	127.41	4	5	0	-0.6864	5.05638	2.56	2.486	37.3635	114.2581	3.0417	348.152528322824
Cond-010062	GW770249A	GW770249A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	12.0370373732303	Cl.Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12	InChI=1S/C20H13F4N5O2.ClH/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18;/h1-9H,(H2,25,26,27)(H2,28,29,30);1H	C20H14ClF4N5O2	467.804	7	4	106.07	4	6	0	0.0461000000000001	6.11065	2.45	4.333	23.0909	112.3458	2.7064	329.283760549316
Cond-010063	GW770249A	GW770249A	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	100.604338637933	Cl.Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12	InChI=1S/C20H13F4N5O2.ClH/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18;/h1-9H,(H2,25,26,27)(H2,28,29,30);1H	C20H14ClF4N5O2	467.804	7	4	106.07	4	6	0	0.0461000000000001	6.11065	2.45	4.333	23.0909	112.3458	2.7064	329.283760549316
Cond-010064	GW771127A	GW771127A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	86.3519872830284	Cl.CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(=O)(=O)N)n1	InChI=1S/C20H21N7O2S.ClH/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29;/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24);1H	C20H22ClN7O2S	459.952	9	3	127.41	4	5	0	-0.6864	4.59648	2.56	2.486	37.3635	112.9511	3.0417	348.152528322824
Cond-010065	GW775608X	GW775608X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	104.659983419663	Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)	C28H30N4O3	470.563	7	2	83.56	5	9	1	-0.505400000000001	5.02739000000001	3.77	5.354	60.1696	140.9869	3.6131	439.718409946619
Cond-010066	GW778894X	GW778894X	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	65.4758996473473	N#Cc1cccc(Nc2nccc(n2)c2cnn3ncccc23)c1	InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)	C17H11N7	313.316	7	1	91.79	4	3	0	-0.3725	3.92147	2.56	2.688	12.3966	92.1387	2.2521	254.902179584901
Cond-010067	GW778894X	GW778894X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	15.0409190053824	N#Cc1cccc(Nc2nccc(n2)c2cnn3ncccc23)c1	InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)	C17H11N7	313.316	7	1	91.79	4	3	0	-0.3725	3.92147	2.56	2.688	12.3966	92.1387	2.2521	254.902179584901
Cond-010068	GW779439X	GW779439X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	13.5763212478483	CN1CCN(CC1)c1ccc(Nc2nccc(n2)c2cnn3ncccc23)cc1C(F)(F)F	InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	C22H21F3N8	454.451	8	1	74.48	5	5	0	0.865999999999999	4.99488000000001	2.67	3.696	42.9741	120.5297	3.0869	363.497998174121
Cond-010069	GW779439X	GW779439X	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	75.3493764069491	CN1CCN(CC1)c1ccc(Nc2nccc(n2)c2cnn3ncccc23)cc1C(F)(F)F	InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	C22H21F3N8	454.451	8	1	74.48	5	5	0	0.865999999999999	4.99488000000001	2.67	3.696	42.9741	120.5297	3.0869	363.497998174121
Cond-010070	GW780056X	GW780056X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	17.5208722194066	CCN(CC)Cc1ccc(Nc2nccc(n2)c2cnn3ncccc23)cc1	InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-9-17(10-8-16)25-21-22-13-11-19(26-21)18-14-24-28-20(18)6-5-12-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)	C21H23N7	373.454	7	1	71.24	4	7	0	0.322999999999999	4.89107000000001	3	3.728	33.7892	112.8157	2.9017	329.359035489969
Cond-010071	GW780056X	GW780056X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	73.5317582928285	CCN(CC)Cc1ccc(Nc2nccc(n2)c2cnn3ncccc23)cc1	InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-9-17(10-8-16)25-21-22-13-11-19(26-21)18-14-24-28-20(18)6-5-12-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)	C21H23N7	373.454	7	1	71.24	4	7	0	0.322999999999999	4.89107000000001	3	3.728	33.7892	112.8157	2.9017	329.359035489969
Cond-010072	GW780159X	GW780159X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.61354735573741	Nc1nc(c(s1)c1ccc2ncccc2n1)c1cccc(Cl)c1	InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)	C17H11ClN4S	338.814	4	2	92.93	4	2	0	0.585	5.96827	2.67	3.997	17.6312	100.3954	2.3246	260.904908190034
Cond-010073	GW780159X	GW780159X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	86.3313748455005	Nc1nc(c(s1)c1ccc2ncccc2n1)c1cccc(Cl)c1	InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)	C17H11ClN4S	338.814	4	2	92.93	4	2	0	0.585	5.96827	2.67	3.997	17.6312	100.3954	2.3246	260.904908190034
Cond-010074	GW781673X	GW781673X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	33.3904115206487	Clc1ccc(CNc2nccc(n2)c2cnn3ncccc23)cc1	InChI=1S/C17H13ClN6/c18-13-5-3-12(4-6-13)10-20-17-19-9-7-15(23-17)14-11-22-24-16(14)2-1-8-21-24/h1-9,11H,10H2,(H,19,20,23)	C17H13ClN6	336.778	6	1	68	4	4	0	0.3487	3.97108	2.56	3.379	16.5258	95.0017	2.3607	264.389404548768
Cond-010075	GW782612X	GW782612X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	89.9828789738709	NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1	InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)	C18H15N7O	345.358	8	5	121.61	4	5	0	-1.896	3.62567	2.56	2.599	17.3415	103.5908	2.4947	283.624849612129
Cond-010076	GW782907X	GW782907X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	95.9917111202238	Cc1ccc(cc1c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCCCC1	InChI=1S/C25H30N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h7,10-15,18,22H,2-6,8-9,16H2,1H3,(H,26,28)(H,27,29)	C25H30N2O2	390.518	4	2	58.2	4	8	1	-1.9013	4.60071000000001	3.77	6.969	54.7596	118.8199	3.1697	388.212543755325
Cond-010077	GW782912X	GW782912X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	50.023970916209	Cc1ccc(cc1c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCC1	InChI=1S/C23H26N2O2/c1-15-5-8-19(23(27)25-20-3-2-4-20)13-21(15)17-9-11-18(12-10-17)22(26)24-14-16-6-7-16/h5,8-13,16,20H,2-4,6-7,14H2,1H3,(H,24,26)(H,25,27)	C23H26N2O2	362.465	4	2	58.2	4	8	1	-1.3253	3.82051	3.55	6.042	48.9364	109.5859	2.8879	353.620574503591
Cond-010078	GW784307A	GW784307A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	30.653020872736	Cl.COc1cccc(c1)n1ncc2c(N/N=C/c3ccc(cc3)C(=O)NCCN(C)C)ncnc12	InChI=1S/C24H26N8O2.ClH/c1-31(2)12-11-25-24(33)18-9-7-17(8-10-18)14-28-30-22-21-15-29-32(23(21)27-16-26-22)19-5-4-6-20(13-19)34-3;/h4-10,13-16H,11-12H2,1-3H3,(H,25,33)(H,26,27,30);1H/b28-14+;	C24H27ClN8O2	494.977	10	2	109.04	4	10	0	-0.886999999999999	3.26216000000001	3	4.095	52.2221	138.1184	3.4556	404.551285575258
Cond-010079	GW784752X	GW784752X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	88.8943287254027	COc1cccc(c1)n1ncc2c(N/N=C/c3ccncc3)ncnc12	InChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b22-10+	C18H15N7O	345.358	8	1	89.59	4	5	0	-0.4932	3.39737	2.56	3.819	21.0648	102.0047	2.4947	283.624849612129
Cond-010080	GW785404X	GW785404X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	97.3513959159578	CCn1c(nc2ccc(F)cc12)c1nonc1N	InChI=1S/C11H10FN5O/c1-2-17-8-5-6(12)3-4-7(8)14-11(17)9-10(13)16-18-15-9/h3-5H,2H2,1H3,(H2,13,16)	C11H10FN5O	247.228	6	2	82.76	3	2	0	-0.0583999999999998	2.34737	1.9	1.759	19.6022	68.1704	1.6501	183.065747869835
Cond-010081	GW785804X	GW785804X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	9.90704513640018	Nc1nc(c(s1)c1ccc2ncccc2n1)c1ccc(F)cc1	InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)	C17H11FN4S	322.359	4	2	92.93	4	2	0	0.3204	4.16746	2.67	3.86	12.8881	92.9894	2.2199	251.761399269907
Cond-010082	GW785804X	GW785804X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	82.0006271316265	Nc1nc(c(s1)c1ccc2ncccc2n1)c1ccc(F)cc1	InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)	C17H11FN4S	322.359	4	2	92.93	4	2	0	0.3204	4.16746	2.67	3.86	12.8881	92.9894	2.2199	251.761399269907
Cond-010083	GW785974X	GW785974X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	71.4546764701589	CC(C)NC(=O)c1ccc(C)c(c1)c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C22H26N2O2/c1-14(2)24-22(26)19-7-4-15(3)20(12-19)17-8-10-18(11-9-17)21(25)23-13-16-5-6-16/h4,7-12,14,16H,5-6,13H2,1-3H3,(H,23,25)(H,24,26)	C22H26N2O2	350.454	4	2	58.2	3	8	1	-0.358700000000001	3.67641	3.44	6.024	51.999	107.0829	2.8556	348.681048578524
Cond-010084	GW786460X	GW786460X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	52.1162285164351	Cc1cccc(n1)c1n[nH]cc1c1ccc2ncccc2n1	InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)	C17H13N5	287.319	5	1	67.35	4	2	0	0.0191000000000001	3.9951	2.78	3.815	9.0325	89.58	2.1385	238.181576570167
Cond-010085	GW794607X	GW794607X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	78.3077685627208	CCCNc1cccc(c1)n1ncc2c(N/N=C/c3ccncc3)ncnc12	InChI=1S/C20H20N8/c1-2-8-22-16-4-3-5-17(11-16)28-20-18(13-26-28)19(23-14-24-20)27-25-12-15-6-9-21-10-7-15/h3-7,9-14,22H,2,8H2,1H3,(H,23,24,27)/b25-12+	C20H20N8	372.426	8	2	92.39	4	7	0	-1.0869	4.21067	2.78	4.404	30.5715	114.2334	2.8176	320.423352371469
Cond-010086	GW794726X	GW794726X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	70.7069509956646	CC(=O)Nc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C26H19ClFN5O2/c1-17(34)31-25-7-3-6-21(32-25)9-8-19-14-29-16-30-26(19)33-22-10-11-24(23(27)13-22)35-15-18-4-2-5-20(28)12-18/h2-7,10-14,16H,15H2,1H3,(H,29,30,33)(H,31,32,34)	C26H19ClFN5O2	487.913	7	2	89.03	4	7	1	0.6266	6.92425	3.33	5.909	37.5487	135.3884	3.44910000000001	419.522224720831
Cond-010087	GW796920X	GW796920X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	79.2441281417253	Cc1ccc(NC(=O)CC2CC2)cc1c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C23H26N2O2/c1-15-2-11-20(25-22(26)12-16-3-4-16)13-21(15)18-7-9-19(10-8-18)23(27)24-14-17-5-6-17/h2,7-11,13,16-17H,3-6,12,14H2,1H3,(H,24,27)(H,25,26)	C23H26N2O2	362.465	4	2	58.2	4	9	1	-0.170999999999999	4.27681000000001	3.55	5.928	53.0593	110.4514	2.8879	353.620574503591
Cond-010088	GW796921X	GW796921X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	62.9647770518227	CCC(=O)Nc1ccc(C)c(c1)c1ccc(cc1)C(=O)NCC1CC1	InChI=1S/C21H24N2O2/c1-3-20(24)23-18-11-4-14(2)19(12-18)16-7-9-17(10-8-16)21(25)22-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,24)	C21H24N2O2	336.427	4	2	58.2	3	8	1	-0.324799999999999	3.88671	3.33	5.191	47.2516	103.4014	2.7147	331.385063952657
Cond-010089	GW799251X	GW799251X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	17.9580903392331	Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	C23H16ClFN6O	446.864	7	3	98.84	4	5	0	0.5016	5.27095	3	4.697	28.9049	124.0021	3.1105	372.477263051636
Cond-010090	GW799251X	GW799251X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.5469504494052	Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	C23H16ClFN6O	446.864	7	3	98.84	4	5	0	0.5016	5.27095	3	4.697	28.9049	124.0021	3.1105	372.477263051636
Cond-010091	GW801372X	GW801372X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	30.129434375432	COc1cc(Nc2nccc(n2)c2cnn3ncccc23)cc(OC)c1	InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	C18H16N6O2	348.359	8	1	86.46	4	5	0	-0.5108	4.40597	2.56	2.452	20.8296	100.0507	2.4966	284.054774805324
Cond-010092	GW804482X	GW804482X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	97.8840521001172	COc1cccc(COc2cc(sc2C(=O)N)n2cnc3ccccc23)c1	InChI=1S/C20H17N3O3S/c1-25-14-6-4-5-13(9-14)11-26-17-10-18(27-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)	C20H17N3O3S	379.432	6	2	107.09	4	6	0	-0.2253	4.23697	2.89	3.483	31.7801	109.5804	2.7012	312.955714190718
Cond-010093	GW806290X	GW806290X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	64.0572064662147	C1COc2cc(Nc3nccc(n3)c3cnn4ncccc34)ccc2O1	InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	C18H14N6O2	346.343	8	1	86.46	5	3	0	-0.6922	4.66076	2.56	2.242	18.8606	99.9977	2.388	271.698316104524
Cond-010094	GW806742X	GW806742X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	14.2909351124874	CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(=O)(=O)N)n1	InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)	C25H22F3N7O4S	573.547	11	5	159.95	4	11	2	0.2154	7.46064	2.56	5.197	41.4057	143.0365	3.78770000000001	462.506205301799
Cond-010095	GW806742X	GW806742X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	53.587508200927	CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(=O)(=O)N)n1	InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)	C25H22F3N7O4S	573.547	11	5	159.95	4	11	2	0.2154	7.46064	2.56	5.197	41.4057	143.0365	3.78770000000001	462.506205301799
Cond-010096	GW807930X	GW807930X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	44.0302150814128	CC(=O)NCc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C28H22ClFN4O2/c1-19(35)32-15-21-5-2-4-20(12-21)8-9-23-16-31-18-33-28(23)34-25-10-11-27(26(29)14-25)36-17-22-6-3-7-24(30)13-22/h2-7,10-14,16,18H,15,17H2,1H3,(H,32,35)(H,31,33,34)	C28H22ClFN4O2	500.951	6	2	76.14	4	8	1	0.6382	5.86217	3.66	6.993	42.2609	138.7704	3.63110000000001	443.117433764398
Cond-010097	GW809885X	GW809885X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	95.8577023353649	COc1cccc(c1)n1nc(C)c2c(N/N=C(\C)/c3ccncc3)ncnc12	InChI=1S/C20H19N7O/c1-13(15-7-9-21-10-8-15)24-25-19-18-14(2)26-27(20(18)23-12-22-19)16-5-4-6-17(11-16)28-3/h4-12H,1-3H3,(H,22,23,25)/b24-13+	C20H19N7O	373.411	8	1	89.59	4	5	0	-0.1152	3.8702	2.78	4.167	31.2738	110.5277	2.7765	318.216818863863
Cond-010098	GW809897X	GW809897X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	110.295944923081	CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccnc(Nc2cccc(CS(=O)(=O)C)c2)n1	InChI=1S/C26H24Cl2N6O3S/c1-34(20-11-9-18(10-12-20)31-26(35)33-24-21(27)7-4-8-22(24)28)23-13-14-29-25(32-23)30-19-6-3-5-17(15-19)16-38(2,36)37/h3-15H,16H2,1-2H3,(H,29,30,32)(H2,31,33,35)	C26H24Cl2N6O3S	571.478	9	3	124.7	4	10	1	0.244699999999999	9.55534	3	6.001	52.119	158.2491	3.96180000000001	472.234662008886
Cond-010099	GW810372X	GW810372X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	84.3959788674955	COc1ccc2c(cnn2n1)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1	InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)	C18H13F3N6O2	402.33	8	1	86.46	4	6	0	1.6255	5.79676	2.23	4.204	21.9406	102.2427	2.5497	302.257451356243
Cond-010100	GW810576X	GW810576X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	73.4770951653357	COc1cccc(Nc2nccc(n2)c2cnn3ncccc23)c1	InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	C17H14N6O	318.333	7	1	77.23	4	4	0	-0.459	4.39737	2.56	2.896	13.5138	93.4987	2.297	257.968563478896
Cond-010101	GW811168X	GW811168X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	106.262230063773	COc1cccc(c1)n1ncc2c(N/N=C/c3ccc(cc3)S(=O)(=O)C)ncnc12	InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-13H,1-2H3,(H,21,22,25)/b23-11+	C20H18N6O3S	422.46	9	1	119.22	4	6	0	-0.8161	3.91976	2.56	4.361	35.4031	113.0157	2.9576	343.309536114419
Cond-010102	GW811761X	GW811761X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	61.9616451966106	CCOc1ccc2c(cnn2n1)c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	InChI=1S/C19H15F3N6O/c1-2-29-17-7-6-16-14(11-24-28(16)27-17)15-8-9-23-18(26-15)25-13-5-3-4-12(10-13)19(20,21)22/h3-11H,2H2,1H3,(H,23,25,26)	C19H15F3N6O	400.357	7	1	77.23	4	6	0	0.8895	5.46517	2.45	4.933	24.2422	102.3397	2.6319	310.763209281549
Cond-010103	GW813360X	GW813360X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	52.828382383903	COc1cccc(c1)n1cnc2c(N/N=C/c3ccncc3)ncnc12	InChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-12-22-16-17(20-11-21-18(16)25)24-23-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b23-10+	C18H15N7O	345.358	8	1	89.59	4	5	0	-0.4932	3.39737	2.56	4.137	21.0648	102.0047	2.4947	283.624849612129
Cond-010104	GW817394X	GW817394X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	96.0734078730557	COc1cccc(c1)n1ncc2c(N/N=C/c3cccc(F)c3)ncnc12	InChI=1S/C19H15FN6O/c1-27-16-7-3-6-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-4-2-5-14(20)8-13/h2-12H,1H3,(H,21,22,25)/b23-10+	C19H15FN6O	362.36	7	1	76.7	4	5	1	-0.0135	3.80256	2.67	5.174	21.9373	106.3027	2.5535	295.991632880136
Cond-010105	GW817396X	GW817396X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	90.1418781562753	COc1cccc(c1)n1ncc2c(N/N=C/c3ccc(F)cc3)ncnc12	InChI=1S/C19H15FN6O/c1-27-16-4-2-3-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-5-7-14(20)8-6-13/h2-12H,1H3,(H,21,22,25)/b23-10+	C19H15FN6O	362.36	7	1	76.7	4	5	1	-0.0135	3.80256	2.67	5.174	21.9373	106.3027	2.5535	295.991632880136
Cond-010106	GW819077X	GW819077X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	53.679291571443	FC(F)(F)c1cccc(Nc2nccc(n2)c2cnn3nc(ccc23)c2ccccc2)c1	InChI=1S/C23H15F3N6/c24-23(25,26)16-7-4-8-17(13-16)29-22-27-12-11-20(30-22)18-14-28-32-21(18)10-9-19(31-32)15-5-2-1-3-6-15/h1-14H,(H,27,29,30)	C23H15F3N6	432.401	6	1	68	5	5	1	0.6909	6.78187	3	7.436	12.6326	117.4907	2.8992	339.991086281254
Cond-010107	GW819230X	GW819230X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	82.5452622313689	Cc1ccc(cc1)c1cc2c(NC(=O)C3CC3)ncnc2o1	InChI=1S/C17H15N3O2/c1-10-2-4-11(5-3-10)14-8-13-15(18-9-19-17(13)22-14)20-16(21)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,18,19,20,21)	C17H15N3O2	293.32	5	1	68.02	4	4	0	0.219600000000001	4.47998	2.78	3.865	27.0879	89.8077	2.1423	249.941426956556
Cond-010108	GW820759X	GW820759X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	68.8478488635374	Cc1ccc(cc1c1ccc2[nH]ncc2c1)C(=O)NC1CC1	InChI=1S/C18H17N3O/c1-11-2-3-13(18(22)20-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-19-21-17/h2-4,7-10,15H,5-6H2,1H3,(H,19,21)(H,20,22)	C18H17N3O	291.347	4	2	57.78	4	4	0	-1.0396	2.68501	3	4.739	25.4647	89.9957	2.2245	258.447184881862
Cond-010109	GW824645A	GW824645A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	82.2352683105796	Cl.NS(=O)(=O)c1cccc(Nc2cc(n[nH]2)c2ccc(F)cc2)c1	InChI=1S/C15H13FN4O2S.ClH/c16-11-6-4-10(5-7-11)14-9-15(20-19-14)18-12-2-1-3-13(8-12)23(17,21)22;/h1-9H,(H2,17,21,22)(H2,18,19,20);1H	C15H14ClFN4O2S	368.814	6	4	109.25	3	4	0	-1.2976	3.28728	2.23	3.205	18.6141	82.3351	2.2501	263.279259521696
Cond-010110	GW827099X	GW827099X	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	64.1370951797817	Fc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29)	C24H17FN6O2	440.429	8	1	86.46	6	4	0	-0.2125	6.17635	3.11	4.55	19.7331	128.4107	3.0135	350.375947906831
Cond-010111	GW827099X	GW827099X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	17.5316771307626	Fc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29)	C24H17FN6O2	440.429	8	1	86.46	6	4	0	-0.2125	6.17635	3.11	4.55	19.7331	128.4107	3.0135	350.375947906831
Cond-010112	GW827105X	GW827105X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	34.0386484899391	COc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	InChI=1S/C24H17F3N6O/c1-34-18-9-7-15(8-10-18)22-21(20-6-3-12-29-33(20)32-22)19-11-13-28-23(31-19)30-17-5-2-4-16(14-17)24(25,26)27/h2-14H,1H3,(H,28,30,31)	C24H17F3N6O	462.427	7	1	77.23	5	6	1	0.6391	6.38528	3	6.359	19.9484	123.0017	3.09880000000001	366.077297607682
Cond-010113	GW827106X	GW827106X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	44.1431771872619	COc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)	C25H20N6O3	452.465	9	1	95.69	6	5	0	-0.743999999999999	6.38476000000001	3.22	4.147	26.1764	132.8697	3.1954	370.394600382952
Cond-010114	GW827396X	GW827396X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	24.9269011634016	COc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc(F)c(F)c2)n1	InChI=1S/C23H16F2N6O/c1-32-16-7-4-14(5-8-16)22-21(20-3-2-11-27-31(20)30-22)19-10-12-26-23(29-19)28-15-6-9-17(24)18(25)13-15/h2-13H,1H3,(H,26,28,29)	C23H16F2N6O	430.41	7	1	77.23	5	5	1	0.5004	5.64687	3	5.163	15.2588	120.8287	2.9402	342.713754131509
Cond-010115	GW828525X	GW828525X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	52.0058695800883	FC(F)(F)c1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C25H17F3N6O2/c26-25(27,28)16-5-3-15(4-6-16)23-22(19-2-1-10-30-34(19)33-23)18-9-11-29-24(32-18)31-17-7-8-20-21(14-17)36-13-12-35-20/h1-11,14H,12-13H2,(H,29,31,32)	C25H17F3N6O2	490.437	8	1	86.46	6	5	1	0.4059	7.05386	3	5.705	25.2952	130.5417	3.18980000000001	379.80705023331
Cond-010116	GW829055X	GW829055X	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	72.7833431979113	Clc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccccc2)n1	InChI=1S/C22H15ClN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27)	C22H15ClN6	398.848	6	1	68	5	4	1	0.3371	6.75757	3.11	5.996	11.8136	118.2767	2.8276	319.703492874902
Cond-010117	GW829055X	GW829055X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	13.2801525375358	Clc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccccc2)n1	InChI=1S/C22H15ClN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27)	C22H15ClN6	398.848	6	1	68	5	4	1	0.3371	6.75757	3.11	5.996	11.8136	118.2767	2.8276	319.703492874902
Cond-010118	GW829874X	GW829874X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	96.0282668925756	COc1cccc(/C=N/Nc2ncnc3n(ncc23)c2cccc(OC)c2)c1	InChI=1S/C20H18N6O2/c1-27-16-7-3-5-14(9-16)11-23-25-19-18-12-24-26(20(18)22-13-21-19)15-6-4-8-17(10-15)28-2/h3-13H,1-2H3,(H,21,22,25)/b23-11+	C20H18N6O2	374.396	8	1	85.93	4	6	0	-0.545	4.61106	2.78	4.771	28.3806	111.0047	2.7354	316.010285356257
Cond-010119	GW829877X	GW829877X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	97.2637836419862	COc1cccc(c1)n1ncc2c(N/N=C/c3ccc(C)cc3)ncnc12	InChI=1S/C20H18N6O/c1-14-6-8-15(9-7-14)11-23-25-19-18-12-24-26(20(18)22-13-21-19)16-4-3-5-17(10-16)27-2/h3-13H,1-2H3,(H,21,22,25)/b23-11+	C20H18N6O	358.397	7	1	76.7	4	5	1	0.1488	4.63048	2.89	6.171	26.5669	108.0927	2.6767	307.220058655696
Cond-010120	GW829906X	GW829906X	0.5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	69.0974022679869	Cc1ccc2c(c(nn2n1)c1ccccc1)c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)	C24H17F3N6	446.427	6	1	68	5	5	1	1.1304	6.8646	3.11	7.933	18.3651	121.3967	3.04010000000001	357.287070907121
Cond-010121	GW829906X	GW829906X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	10.6064241174419	Cc1ccc2c(c(nn2n1)c1ccccc1)c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)	C24H17F3N6	446.427	6	1	68	5	5	1	1.1304	6.8646	3.11	7.933	18.3651	121.3967	3.04010000000001	357.287070907121
Cond-010122	GW830263A	GW830263A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	84.5664199342137	Cl.CN(c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)c1ccnc(Nc2ccc(CS(=O)(=O)C)cc2)n1	InChI=1S/C32H36N8O4S.ClH/c1-38-18-20-40(21-19-38)30(41)24-6-10-26(11-7-24)35-32(42)36-27-12-14-28(15-13-27)39(2)29-16-17-33-31(37-29)34-25-8-4-23(5-9-25)22-45(3,43)44;/h4-17H,18-22H2,1-3H3,(H,33,34,37)(H2,35,36,42);1H	C32H37ClN8O4S	665.205	12	3	148.25	5	12	2	-1.7168	7.63614000000001	3.55	4.621	75.7728	181.6296	4.6691	561.379263938513
Cond-010123	GW830365A	GW830365A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	57.5503361857303	Cl.CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(=O)(=O)C)cc2)n1	InChI=1S/C26H33N7O4S.ClH/c1-32(23-9-7-22(8-10-23)30-26(34)28-13-14-33-15-17-37-18-16-33)24-11-12-27-25(31-24)29-21-5-3-20(4-6-21)19-38(2,35)36;/h3-12H,13-19H2,1-2H3,(H,27,29,31)(H2,28,30,34);1H	C26H34ClN7O4S	576.111	11	3	137.17	4	12	2	-1.3152	5.45815000000001	3	2.93	73.6781	153.1831	4.0045	480.408889479147
Cond-010124	GW830900A	GW830900A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	101.401072230038	Cl.CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2ccc(CS(=O)(=O)C)cc2)n1	InChI=1S/C24H31N7O3S.ClH/c1-30(2)16-15-26-24(32)28-20-9-11-21(12-10-20)31(3)22-13-14-25-23(29-22)27-19-7-5-18(6-8-19)17-35(4,33)34;/h5-14H,15-17H2,1-4H3,(H,25,27,29)(H2,26,28,32);1H	C24H32ClN7O3S	534.074	10	3	127.94	3	12	1	-1.0029	5.68755000000001	2.89	3.33	64.6036	144.4781	3.7726	449.383152227653
Cond-010125	GW831090X	GW831090X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	102.299410551174	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)c2cccc(O)c2)cc1	InChI=1S/C15H14N4O3S/c16-23(21,22)13-6-4-11(5-7-13)17-15-9-14(18-19-15)10-2-1-3-12(20)8-10/h1-9,20H,(H2,16,21,22)(H2,17,18,19)	C15H14N4O3S	330.362	7	5	129.48	3	4	0	-2.2376	2.85378	2.23	2.283	20.3062	84.0419	2.2911	266.001927371951
Cond-010126	GW831091X	GW831091X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	95.1932479173428	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)c2ccc(O)c(F)c2)cc1	InChI=1S/C15H13FN4O3S/c16-12-7-9(1-6-14(12)21)13-8-15(20-19-13)18-10-2-4-11(5-3-10)24(17,22)23/h1-8,21H,(H2,17,22,23)(H2,18,19,20)	C15H13FN4O3S	348.352	7	5	129.48	3	4	0	-1.7579	2.99288	2.12	2.242	21.1787	83.9999	2.3088	272.069486222257
Cond-010127	GW832467X	GW832467X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	62.854428871018	Cc1ccc2c(c(nn2n1)c1ccc(cc1)C(F)(F)F)c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C26H19F3N6O2/c1-15-2-8-20-23(24(34-35(20)33-15)16-3-5-17(6-4-16)26(27,28)29)19-10-11-30-25(32-19)31-18-7-9-21-22(14-18)37-13-12-36-21/h2-11,14H,12-13H2,1H3,(H,30,31,32)	C26H19F3N6O2	504.463	8	1	86.46	6	5	1	0.8454	7.54178000000001	3.11	6.202	31.0277	135.4887	3.33070000000001	397.103034859177
Cond-010128	GW833373X	GW833373X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	13.328459532927	Cc1ccc2c(c(nn2n1)c1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1	InChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27)	C23H17FN6	396.42	6	1	68	5	4	1	0.512	6.39228	3.22	6.356	12.803	120.3067	2.8638	327.855968580642
Cond-010129	GW833373X	GW833373X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	88.4173653282506	Cc1ccc2c(c(nn2n1)c1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1	InChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27)	C23H17FN6	396.42	6	1	68	5	4	1	0.512	6.39228	3.22	6.356	12.803	120.3067	2.8638	327.855968580642
Cond-010130	GW837331X	GW837331X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	18.75599243141	COc1cc(Nc2ncc3c(C)nc(c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC	InChI=1S/C22H20F3N5O3/c1-12-16-11-26-21(28-15-9-17(31-2)19(33-4)18(10-15)32-3)29-30(16)20(27-12)13-6-5-7-14(8-13)22(23,24)25/h5-11H,1-4H3,(H,28,29)	C22H20F3N5O3	459.421	8	1	82.8	4	7	0	0.975	5.78	2.67	4.796	40.3125	116.9377	3.0722	369.234856352105
Cond-010131	GW837331X	GW837331X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	56.6670187845129	COc1cc(Nc2ncc3c(C)nc(c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC	InChI=1S/C22H20F3N5O3/c1-12-16-11-26-21(28-15-9-17(31-2)19(33-4)18(10-15)32-3)29-30(16)20(27-12)13-6-5-7-14(8-13)22(23,24)25/h5-11H,1-4H3,(H,28,29)	C22H20F3N5O3	459.421	8	1	82.8	4	7	0	0.975	5.78	2.67	4.796	40.3125	116.9377	3.0722	369.234856352105
Cond-010132	GW843682X	GW843682X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	98.0141298154006	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N)c2cc1OC	InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)	C22H18F3N3O4S	477.456	7	2	116.32	4	8	0	0.821	4.92327	2.67	4.575	45.5305	120.3564	3.0948	374.540586693932
Cond-010133	GW846105X	GW846105X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	48.2598998551297	O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12	InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)	C23H19N3O2S	401.481	5	1	101.44	5	5	1	-0.4918	4.23828	3.33	5.124	53.8895	112.4032	2.9136	351.960523966158
Cond-010134	GW852849X	GW852849X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	17.7068700500478	COc1cc2ncn(c3cc(OCc4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)	C21H18ClN3O4S	443.903	7	2	116.32	4	7	0	0.4672	4.89897	2.78	3.346	44.7115	121.1424	3.0232	354.25299328758
Cond-010135	GW852849X	GW852849X	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	81.5460314378205	COc1cc2ncn(c3cc(OCc4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)	C21H18ClN3O4S	443.903	7	2	116.32	4	7	0	0.4672	4.89897	2.78	3.346	44.7115	121.1424	3.0232	354.25299328758
Cond-010136	GW853606X	GW853606X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	66.0209521072181	NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2ccc(cc12)C(F)(F)F	InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)	C20H13BrF3N3O2S	496.3	5	2	97.86	4	6	1	1.8134	5.66857	2.56	5.686	39.498	114.9524	2.8706	341.651783018643
Cond-010137	GW853609X	GW853609X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	44.6637431731151	NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2cc(ccc12)C(F)(F)F	InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-7-12(20(22,23)24)5-6-15(14)27/h1-8,10H,9H2,(H2,25,28)	C20H13BrF3N3O2S	496.3	5	2	97.86	4	6	1	1.8134	5.66857	2.56	5.686	39.498	114.9524	2.8706	341.651783018643
Cond-010138	GW856804X	GW856804X	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	13.7344206307892	Nc1ncc(c2cccc(c2)S(=O)(=O)N)c2scc(c3ccc(F)c(Cl)c3)c12	InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)	C19H13ClFN3O2S2	433.907	5	4	135.69	4	3	0	0.1282	5.12587	2.56	3.503	29.6453	106.3028	2.8052	326.65715354263
Cond-010139	GW856804X	GW856804X	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	78.6697502725956	Nc1ncc(c2cccc(c2)S(=O)(=O)N)c2scc(c3ccc(F)c(Cl)c3)c12	InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)	C19H13ClFN3O2S2	433.907	5	4	135.69	4	3	0	0.1282	5.12587	2.56	3.503	29.6453	106.3028	2.8052	326.65715354263
Cond-010140	GW861893X	GW861893X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	56.7147750773945	COc1cc(Nc2ncc3c(C)nc(c4cccc(Oc5ccccc5)c4)n3n2)cc(OC)c1OC	InChI=1S/C27H25N5O4/c1-17-22-16-28-27(30-19-14-23(33-2)25(35-4)24(15-19)34-3)31-32(22)26(29-17)18-9-8-12-21(13-18)36-20-10-6-5-7-11-20/h5-16H,1-4H3,(H,30,31)	C27H25N5O4	483.518	9	1	92.03	5	8	1	-0.2772	7.34068	3.44	5.57	35.497	141.0247	3.54470000000001	415.13649482788
Cond-010141	GW869810X	GW869810X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	58.4186150067909	Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1	InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23-/m1/s1	C30H27ClFN5O4S	608.083	9	2	126.08	6	8	0	0.852800000000001	5.70056000000001	3.44	4.785	79.4566	161.5654	4.1624	505.35564068302
Cond-010142	GW874091X	GW874091X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	80.1414186429676	Cc1nc(c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12	InChI=1S/C19H24N6O/c1-15-17-14-21-19(20-8-5-9-24-10-12-26-13-11-24)23-25(17)18(22-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,23)	C19H24N6O	352.433	7	1	67.58	4	6	0	-0.327000000000001	2.8123	2.78	2.915	47.6324	103.1897	2.7078	311.36990883303
Cond-010143	GW876790X	GW876790X	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	104.108460942722	CCn1c(nc2cncc(C(=O)NCCNC)c12)c1nonc1N	InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)	C14H18N8O2	330.345	10	4	136.78	3	7	0	-1.4678	0.859770000000002	1.9	-0.955	44.5923	93.1538	2.3702	268.03019152139
Cond-010144	SB-210313	SB-210313	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	96.6976528362327	Fc1ccc(cc1)c1ncn(CCCN2CCOCC2)c1c1ccncc1	InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2	C21H23FN4O	366.432	5	0	43.18	4	6	0	0.133599999999999	3.63658000000001	3.11	3.202	39.4724	107.672	2.7647	327.399457817936
Cond-010145	SB-216385	SB-216385	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	76.4569706886261	Nc1nccc(n1)c1c(ncn1CCCN1CCOCC1)c1ccc(F)cc1	InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25)	C20H23FN6O	382.435	7	2	82.09	4	6	0	-0.616300000000001	3.01897	2.78	2.121	43.6945	110.9204	2.8234	332.096993608403
Cond-010146	SB-220025-R	SB-220025-R	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	47.223580966318	Cl.Nc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(F)cc1	InChI=1S/C18H19FN6.ClH/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14;/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24);1H	C18H20ClFN6	374.843	6	3	81.65	4	3	0	-1.2806	3.22117	2.67	2.467	29.9381	100.1851	2.4829	288.714797656108
Cond-010147	SB-220455	SB-220455	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	47.5431453870952	CN1CCC(CC1)n1cnc(c1c1ccnc(N)n1)c1ccc(F)cc1	InChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)	C19H21FN6	352.409	6	2	72.86	4	3	0	-0.744700000000001	3.56337	2.78	2.706	35.2328	104.8124	2.6238	306.010782281975
Cond-010148	SB-221466	SB-221466	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	81.2621820804243	CC1(C)CC(CC(C)(C)N1)n1cnc(c1c1ccnc(N)n1)c1ccc(F)cc1	InChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27)	C22H27FN6	394.488	6	3	81.65	4	3	0	0.971599999999999	4.77837000000001	3.11	4.221	51.1301	118.6091	3.0465	357.898736159575
Cond-010149	SB-223133	SB-223133	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	14.0580056764425	Nc1nccc(n1)c1c(ncn1C1CCC(O)CC1)c1ccc(F)cc1	InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)	C19H20FN5O	353.393	6	3	89.85	4	3	0	-1.9701	3.77267	2.78	2.897	28.9994	102.5562	2.5827	303.804248774369
Cond-010150	SB-223133	SB-223133	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	83.5662495461959	Nc1nccc(n1)c1c(ncn1C1CCC(O)CC1)c1ccc(F)cc1	InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)	C19H20FN5O	353.393	6	3	89.85	4	3	0	-1.9701	3.77267	2.78	2.897	28.9994	102.5562	2.5827	303.804248774369
Cond-010151	SB-226879	SB-226879	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	75.0730952057112	CN1CCC(CC1)n1cnc(c1c1ccnc(NCCO)n1)c1ccc(F)cc1	InChI=1S/C21H25FN6O/c1-27-11-7-17(8-12-27)28-14-25-19(15-2-4-16(22)5-3-15)20(28)18-6-9-23-21(26-18)24-10-13-29/h2-6,9,14,17,29H,7-8,10-13H2,1H3,(H,23,24,26)	C21H25FN6O	396.461	7	2	79.1	4	6	0	-0.852300000000001	3.38537000000001	2.89	2.387	46.2997	115.9755	2.9643	349.39297823427
Cond-010152	SB-239272	SB-239272	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	44.440769281785	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccccc2)n1	InChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2	C24H22FN5O	415.463	6	1	64.86	5	5	1	-0.684800000000001	5.93206	3.33	5.596	27.3351	124.3497	3.0496	359.118337100503
Cond-010153	SB-242717	SB-242717	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	80.809294796781	Fc1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C24H21F2N5O/c25-17-3-1-16(2-4-17)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-24(30-21)32-20-7-5-18(26)6-8-20/h1-8,11,14-15,19,27H,9-10,12-13H2	C24H21F2N5O	433.453	6	1	64.86	5	5	1	-0.205100000000001	5.66597	3.22	5.344	28.2076	123.2667	3.0673	365.185895950809
Cond-010154	SB-242719	SB-242719	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.08966842665452	CCc1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3	C26H26FN5O	443.516	6	1	64.86	5	6	1	-0.377900000000001	6.49446000000001	3.55	6.488	37.6856	133.7277	3.3314	393.710306352237
Cond-010155	SB-242719	SB-242719	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	102.247011705235	CCc1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3	C26H26FN5O	443.516	6	1	64.86	5	6	1	-0.377900000000001	6.49446000000001	3.55	6.488	37.6856	133.7277	3.3314	393.710306352237
Cond-010156	SB-242721	SB-242721	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	101.174501078965	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc(cc2)C#N)n1	InChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2	C25H21FN6O	440.472	7	1	88.65	5	5	0	-0.650100000000001	5.80367	3.33	4.733	33.5337	127.4067	3.2043	382.138164532936
Cond-010157	SB-245392	SB-245392	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	13.377193300955	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1	InChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2	C30H26FN5O2	507.558	7	1	74.09	6	7	1	-0.838900000000001	8.22515	3.88	7.484	28.9542	152.9267	3.71610000000001	440.518636753065
Cond-010158	SB-245392	SB-245392	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	88.5459333869803	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1	InChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2	C30H26FN5O2	507.558	7	1	74.09	6	7	1	-0.838900000000001	8.22515	3.88	7.484	28.9542	152.9267	3.71610000000001	440.518636753065
Cond-010159	SB-250715	SB-250715	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	57.162932946671	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc3OCOc3c2)n1	InChI=1S/C25H22FN5O3/c26-17-3-1-16(2-4-17)23-24(31(14-29-23)18-7-10-27-11-8-18)20-9-12-28-25(30-20)34-19-5-6-21-22(13-19)33-15-32-21/h1-6,9,12-14,18,27H,7-8,10-11,15H2	C25H22FN5O3	459.472	8	1	83.32	6	5	0	-0.9875	6.16155	3.22	4.424	34.8072	132.5337	3.1993	381.638316426692
Cond-010160	SB-251527	SB-251527	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	76.4376189251717	COc1ccccc1Oc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(F)cc1	InChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3	C25H24FN5O2	445.489	7	1	74.09	5	6	0	-0.736600000000001	5.94066	3.33	4.941	34.6509	130.9017	3.2492	385.204548426931
Cond-010161	SB-253226	SB-253226	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	10.3801164919326	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2cccc(c2)C(F)(F)F)n1	InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2	C25H21F4N5O	483.461	6	1	64.86	5	6	1	0.413299999999999	6.60976	3.11	6.499	33.7697	128.5737	3.2436	394.616998277289
Cond-010162	SB-253226	SB-253226	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	105.54451327096	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2cccc(c2)C(F)(F)F)n1	InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2	C25H21F4N5O	483.461	6	1	64.86	5	6	1	0.413299999999999	6.60976	3.11	6.499	33.7697	128.5737	3.2436	394.616998277289
Cond-010163	SB-253228	SB-253228	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	39.1059448300803	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc(F)c(F)c2)n1	InChI=1S/C24H20F3N5O/c25-16-3-1-15(2-4-16)22-23(32(14-30-22)17-7-10-28-11-8-17)21-9-12-29-24(31-21)33-18-5-6-19(26)20(27)13-18/h1-6,9,12-14,17,28H,7-8,10-11H2	C24H20F3N5O	451.444	6	1	64.86	5	5	1	0.274599999999999	6.21026	3.11	5.303	29.0801	124.2657	3.085	371.253454801116
Cond-010164	SB-254169	SB-254169	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	108.386381484118	CS(=O)(=O)c1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C25H24FN5O3S/c1-35(32,33)21-8-6-20(7-9-21)34-25-28-15-12-22(30-25)24-23(17-2-4-18(26)5-3-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3	C25H24FN5O3S	493.553	8	1	107.38	5	6	0	-1.0077	5.78317	3.11	4.531	41.6734	129.9797	3.4714	412.503799185092
Cond-010165	SB-264865	SB-264865	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	103.764620039636	NC(=O)Cc1ccccc1Oc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(F)cc1	InChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34)	C26H25FN6O2	472.514	8	3	107.95	5	7	0	-1.2848	5.12747000000001	3.33	4.097	39.3258	137.3151	3.4469	410.860834560164
Cond-010166	SB-264866	SB-264866	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	102.850878228104	NC(=O)CCc1ccccc1Oc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(F)cc1	InChI=1S/C27H27FN6O2/c28-20-8-5-19(6-9-20)25-26(34(17-32-25)21-11-14-30-15-12-21)22-13-16-31-27(33-22)36-23-4-2-1-3-18(23)7-10-24(29)35/h1-6,8-9,13,16-17,21,30H,7,10-12,14-15H2,(H2,29,35)	C27H27FN6O2	486.541	8	3	107.95	5	8	0	-1.2224	5.51757000000001	3.44	4.455	44.1912	141.9321	3.5878	428.156819186031
Cond-010167	SB-278538	SB-278538	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	7.88255354342276	CC(C)(C)c1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C28H30FN5O/c1-28(2,3)20-6-10-23(11-7-20)35-27-31-17-14-24(33-27)26-25(19-4-8-21(29)9-5-19)32-18-34(26)22-12-15-30-16-13-22/h4-11,14,17-18,22,30H,12-13,15-16H2,1-3H3	C28H30FN5O	471.569	6	1	64.86	5	6	1	0.8714	7.22956	3.77	7.602	46.4619	143.0497	3.6132	428.30227560397
Cond-010168	SB-278538	SB-278538	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	100.373146109394	CC(C)(C)c1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C28H30FN5O/c1-28(2,3)20-6-10-23(11-7-20)35-27-31-17-14-24(33-27)26-25(19-4-8-21(29)9-5-19)32-18-34(26)22-12-15-30-16-13-22/h4-11,14,17-18,22,30H,12-13,15-16H2,1-3H3	C28H30FN5O	471.569	6	1	64.86	5	6	1	0.8714	7.22956	3.77	7.602	46.4619	143.0497	3.6132	428.30227560397
Cond-010169	SB-278539	SB-278539	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	28.2466725954327	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2ccc(Cl)cc2)n1	InChI=1S/C24H21ClFN5O/c25-17-3-7-20(8-4-17)32-24-28-14-11-21(30-24)23-22(16-1-5-18(26)6-2-16)29-15-31(23)19-9-12-27-13-10-19/h1-8,11,14-15,19,27H,9-10,12-13H2	C24H21ClFN5O	449.908	6	1	64.86	5	5	1	0.0594999999999992	6.58546	3.22	5.481	32.9507	129.3597	3.172	374.329404870936
Cond-010170	SB-285234-W	SB-285234-W	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	108.040933750905	[Li+].[O-]C(=O)c1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C25H22FN5O3.Li/c26-18-5-1-16(2-6-18)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-25(30-21)34-20-7-3-17(4-8-20)24(32)33;/h1-8,11,14-15,19,27H,9-10,12-13H2,(H,32,33);/q;+1/p-1	C25H21FLiN5O3	465.405	8	1	104.99	5	6	0	-1.6024	4.19767	3.22	4.141	32.2766	128.5257	3.2434	390.040087076292
Cond-010171	SB-333612	SB-333612	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	15.9368886486904	Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	InChI=1S/C18H13ClN2O2/c19-13-7-5-12(6-8-13)15-16(18(23)20-17(15)22)21-10-9-11-3-1-2-4-14(11)21/h1-8H,9-10H2,(H,20,22,23)	C18H13ClN2O2	324.761	4	1	49.41	4	2	0	0.0917999999999999	3.34847	2.89	4.748	38.4868	91.6187	2.2628	279.71526044389
Cond-010172	SB-333612	SB-333612	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	72.155088565641	Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	InChI=1S/C18H13ClN2O2/c19-13-7-5-12(6-8-13)15-16(18(23)20-17(15)22)21-10-9-11-3-1-2-4-14(11)21/h1-8H,9-10H2,(H,20,22,23)	C18H13ClN2O2	324.761	4	1	49.41	4	2	0	0.0917999999999999	3.34847	2.89	4.748	38.4868	91.6187	2.2628	279.71526044389
Cond-010173	SB-347804	SB-347804	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	111.685048972627	Fc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C#N	InChI=1S/C16H13FN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)	C16H13FN2OS	300.351	3	1	81.13	3	3	0	0.2122	3.41378	2.67	3.596	37.4465	78.0992	2.1327	260.691497030668
Cond-010174	SB-358518	SB-358518	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	79.6189116370125	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl	InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-2-1-3-9(4-7)21(25)26/h1-6,22H,(H2,19,20,23,24)	C16H9Cl2N3O5	394.166	8	3	121.57	3	4	0	0.3351	3.59707	2.12	3.677	41.795	99.2132	2.4449	307.42179927244
Cond-010175	SB-360741	SB-360741	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	79.6966743703792	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)ccc1Cl	InChI=1S/C17H10Cl2N2O4/c18-9-3-1-8(2-4-9)13-14(16(23)21-15(13)22)20-10-5-6-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)	C17H10Cl2N2O4	377.178	6	3	95.5	3	4	0	-0.1045	2.95688	2.45	3.779	42.5597	95.5152	2.4273	304.930796989579
Cond-010176	SB-361058	SB-361058	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.25743029349479	COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	InChI=1S/C19H16N2O3/c1-24-14-8-6-13(7-9-14)16-17(19(23)20-18(16)22)21-11-10-12-4-2-3-5-15(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)	C19H16N2O3	320.342	5	1	58.64	4	3	0	-0.704299999999999	2.70367	3	4.208	40.187	93.1607	2.34	290.590403999885
Cond-010177	SB-361058	SB-361058	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	85.2684672414538	COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	InChI=1S/C19H16N2O3/c1-24-14-8-6-13(7-9-14)16-17(19(23)20-18(16)22)21-11-10-12-4-2-3-5-15(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)	C19H16N2O3	320.342	5	1	58.64	4	3	0	-0.704299999999999	2.70367	3	4.208	40.187	93.1607	2.34	290.590403999885
Cond-010178	SB-376719	SB-376719	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	47.4787141400233	COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O	InChI=1S/C17H14N2O3/c1-22-13-10-6-5-9-12(13)14-15(17(21)19-16(14)20)18-11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21)	C17H14N2O3	294.305	5	2	67.43	3	4	0	-1.4051	2.82607	2.78	4.328	31.425	85.5524	2.1668	268.354893448951
Cond-010179	SB-390523	SB-390523	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	45.1023398235926	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl	InChI=1S/C16H9Cl3N2O3/c17-9-4-2-1-3-8(9)12-13(16(24)21-15(12)23)20-7-5-10(18)14(22)11(19)6-7/h1-6,22H,(H2,20,21,23,24)	C16H9Cl3N2O3	383.613	5	3	78.43	3	3	0	0.4193	4.48327	2.34	3.886	43.5206	95.6952	2.3931	296.692112134384
Cond-010180	SB-400868-A	SB-400868-A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	7.93384524784146	Cl.C1Cc2nc(c(c3ccc4OCOc4c3)n2C1)c1ccccn1	InChI=1S/C18H15N3O2.ClH/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14;/h1-2,4,6-8,10H,3,5,9,11H2;1H	C18H16ClN3O2	341.792	5	0	49.17	5	2	0	-0.8539	5.10016	2.89	3.471	20.9055	92.29	2.1746	254.880952881623
Cond-010181	SB-400868-A	SB-400868-A	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	86.6498028127337	Cl.C1Cc2nc(c(c3ccc4OCOc4c3)n2C1)c1ccccn1	InChI=1S/C18H15N3O2.ClH/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14;/h1-2,4,6-8,10H,3,5,9,11H2;1H	C18H16ClN3O2	341.792	5	0	49.17	5	2	0	-0.8539	5.10016	2.89	3.471	20.9055	92.29	2.1746	254.880952881623
Cond-010182	SB-409513	SB-409513	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	101.120854879321	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl	InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)	C17H10Cl2N2O4	377.178	6	3	95.5	3	4	0	-0.1045	2.95688	2.45	3.99	42.5597	95.5152	2.4273	304.930796989579
Cond-010183	SB-409514	SB-409514	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	7.10690355362463	Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl	InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)	C16H10Cl2N2O3	349.168	5	3	78.43	3	3	0	-0.325	3.82987	2.45	3.79	37.905	90.6852	2.2707	281.481044363951
Cond-010184	SB-409514	SB-409514	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	80.1933356617648	Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl	InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)	C16H10Cl2N2O3	349.168	5	3	78.43	3	3	0	-0.325	3.82987	2.45	3.79	37.905	90.6852	2.2707	281.481044363951
Cond-010185	SB-431533	SB-431533	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.26941515631481	OCc1ccc(cc1)c1nc(c([nH]1)c1ccc2OCOc2c1)c1ccccn1	InChI=1S/C22H17N3O3/c26-12-14-4-6-15(7-5-14)22-24-20(21(25-22)17-3-1-2-10-23-17)16-8-9-18-19(11-16)28-13-27-18/h1-11,26H,12-13H2,(H,24,25)	C22H17N3O3	371.389	6	2	80.26	5	4	0	-1.1718	4.25648	3.22	3.981	18.0489	110.1668	2.6679	314.045741983252
Cond-010186	SB-431533	SB-431533	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	79.3065708356511	OCc1ccc(cc1)c1nc(c([nH]1)c1ccc2OCOc2c1)c1ccccn1	InChI=1S/C22H17N3O3/c26-12-14-4-6-15(7-5-14)22-24-20(21(25-22)17-3-1-2-10-23-17)16-8-9-18-19(11-16)28-13-27-18/h1-11,26H,12-13H2,(H,24,25)	C22H17N3O3	371.389	6	2	80.26	5	4	0	-1.1718	4.25648	3.22	3.981	18.0489	110.1668	2.6679	314.045741983252
Cond-010187	SB-431542-A	SB-431542-A	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	8.91543399395272	Cl.NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccc2OCOc2c1)c1ccccn1	InChI=1S/C22H16N4O3.ClH/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;/h1-11H,12H2,(H2,23,27)(H,25,26);1H	C22H17ClN4O3	420.848	7	3	103.12	5	4	0	-1.3579	4.17097	3.11	3.51	18.2136	116.5394	2.7247	322.406043490619
Cond-010188	SB-431542-A	SB-431542-A	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	84.7060028409737	Cl.NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccc2OCOc2c1)c1ccccn1	InChI=1S/C22H16N4O3.ClH/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;/h1-11H,12H2,(H2,23,27)(H,25,26);1H	C22H17ClN4O3	420.848	7	3	103.12	5	4	0	-1.3579	4.17097	3.11	3.51	18.2136	116.5394	2.7247	322.406043490619
Cond-010189	SB-437013	SB-437013	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	7.68216670032802	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2)S(=O)C)n1C)c1ccncc1	InChI=1S/C27H23N3O2S/c1-30-26(22-5-4-21-17-23(32-2)9-6-20(21)16-22)25(18-12-14-28-15-13-18)29-27(30)19-7-10-24(11-8-19)33(3)31/h4-17H,1-3H3	C27H23N3O2S	453.555	5	0	76.22	5	5	1	-0.3552	6.96967000000001	3.77	5.164	30.7724	134.2225	3.39120000000001	394.071545068025
Cond-010190	SB-437013	SB-437013	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	73.8747767149202	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2)S(=O)C)n1C)c1ccncc1	InChI=1S/C27H23N3O2S/c1-30-26(22-5-4-21-17-23(32-2)9-6-20(21)16-22)25(18-12-14-28-15-13-18)29-27(30)19-7-10-24(11-8-19)33(3)31/h4-17H,1-3H3	C27H23N3O2S	453.555	5	0	76.22	5	5	1	-0.3552	6.96967000000001	3.77	5.164	30.7724	134.2225	3.39120000000001	394.071545068025
Cond-010191	SB-476429-A	SB-476429-A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	63.9677112343505	Cl.NCc1ccc(cc1)c1nc(c([nH]1)c1ccncc1)c1ccc(Cl)c(O)c1	InChI=1S/C21H17ClN4O.ClH/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15;/h1-11,27H,12,23H2,(H,25,26);1H	C21H18Cl2N4O	413.3	5	4	87.82	4	4	0	-0.8747	5.12817	3.11	3.623	20.4145	114.0864	2.7404	317.733590635663
Cond-010192	SB-590885-AAE	SB-590885-AAE	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	107.277397195777	c1(c(c2ccncc2)nc([nH]1)c1ccc(cc1)OCCN(C)C)c1cc2c(cc1)/C(=N/O)/CC2.Cl.O	InChI=1S/C27H27N5O2.ClH.H2O/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;;/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);1H;1H2/b31-24+;;	C27H30ClN5O3	508.012	7	2	86.63	5	7	0	-0.4582	5.71487000000001	3.66	4.398	46.9304	140.9697	3.4703	411.092500127558
Cond-010193	SB-592602	SB-592602	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	108.047949079437	c1(c(c2c(s1)CCCC2)C#N)NC(=O)c1c(F)cccc1	InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)	C16H13FN2OS	300.351	3	1	81.13	3	3	0	0.2122	3.41378	2.67	3.807	37.4465	78.0992	2.1327	260.691497030668
Cond-010194	SB-610251-B	SB-610251-B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	76.2964757611299	Cl.Oc1cccc(c1)c1nc([nH]c1c1ccncc1)c1ccccc1	InChI=1S/C20H15N3O.ClH/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15;/h1-13,24H,(H,22,23);1H	C20H16ClN3O	349.814	4	2	61.8	4	3	1	-0.8807	5.35557	3.22	5.247	5.8646	101.941	2.3773	274.229778031196
Cond-010195	SB-614067-R	SB-614067-R	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	100.695113709578	Cl.ON=C1CCc2cc(ccc12)c1nc([nH]c1c1ccncc1)C1CCNCC1	InChI=1S/C22H23N5O.ClH/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15;/h1,3,5-6,9-10,13,15,24,28H,2,4,7-8,11-12H2,(H,25,26);1H	C22H24ClN5O	409.912	6	3	86.19	5	3	0	-1.8244	4.52607000000001	3.22	3.066	42.9459	115.4454	2.8361	334.631726400063
Cond-010196	SB-630812	SB-630812	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	15.6519665366295	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2C)S(=O)C)n1C)c1ccncc1	InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3	C28H25N3O2S	467.582	5	0	76.22	5	5	1	0.2868	6.99769000000001	3.88	5.487	36.2745	137.8625	3.53210000000001	411.367529693891
Cond-010197	SB-630812	SB-630812	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	81.5815346728055	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2C)S(=O)C)n1C)c1ccncc1	InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3	C28H25N3O2S	467.582	5	0	76.22	5	5	1	0.2868	6.99769000000001	3.88	5.487	36.2745	137.8625	3.53210000000001	411.367529693891
Cond-010198	SB-633825	SB-633825	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	19.1033139180112	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2C)S(=O)(=O)C)n1C)c1ccncc1	InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3	C28H25N3O3S	483.581	6	0	82.46	5	5	1	0.3828	6.87889000000001	3.77	6.295	35.7509	138.549	3.59080000000001	420.157756394452
Cond-010199	SB-633825	SB-633825	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	70.294060379614	COc1ccc2cc(ccc2c1)c1c(nc(c2ccc(cc2C)S(=O)(=O)C)n1C)c1ccncc1	InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3	C28H25N3O3S	483.581	6	0	82.46	5	5	1	0.3828	6.87889000000001	3.77	6.295	35.7509	138.549	3.59080000000001	420.157756394452
Cond-010200	SB-657836-AAA	SB-657836-AAA	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	93.664384389697	OC(=O)C(=O)O.O=C(CN1CCOCC1)Nc1sc2CCCCc2c1C#N	InChI=1S/C15H19N3O2S.C2H2O4/c16-9-12-11-3-1-2-4-13(11)21-15(12)17-14(19)10-18-5-7-20-8-6-18;3-1(4)2(5)6/h1-8,10H2,(H,17,19);(H,3,4)(H,5,6)	C17H21N3O6S	395.43	5	1	93.6	3	4	0	-0.563800000000001	1.29308	2.45	0.649	64.5019	79.6347	2.2616	275.924316565623
Cond-010201	SB-675259-M	SB-675259-M	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	92.4526732611994	OC(=O)C(F)(F)F.O=C(Nc1n[nH]c2nnc(cc12)c1cccnc1)C1CC1	InChI=1S/C14H12N6O.C2HF3O2/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12;3-2(4,5)1(6)7/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21);(H,6,7)	C16H13F3N6O3	394.308	7	2	96.45	4	4	0	-0.6887	2.97426	2.23	1.581	23.2667	83.1527	1.9603	222.253527002895
Cond-010202	SB-678557-A	SB-678557-A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	97.2358151308268	Cl.CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)c1ccccc1	InChI=1S/C18H20N6O.ClH/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16;/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25);1H	C18H21ClN6O	372.852	7	2	86.8	4	4	0	-1.6372	3.51106	2.67	3.463	38.2054	102.8547	2.5239	291.437465506363
Cond-010203	SB-682330-A	SB-682330-A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	40.728963743545	Cl.CN(C)CCOc1ccc(cc1)c1cc(c(o1)c1ccncc1)c1ccc2C(=NO)CCc2c1	InChI=1S/C28H27N3O3.ClH/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32;/h3-5,7-9,11-14,17-18,32H,6,10,15-16H2,1-2H3;1H	C28H28ClN3O3	489.993	6	1	71.09	5	7	1	-0.1919	6.18238000000001	3.88	5.527	45.2495	140.7387	3.4703	415.185191037652
Cond-010204	SB-686709-A	SB-686709-A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	103.813353807664	Cl.CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)c1cccc(F)c1F	InChI=1S/C19H20F2N6O.ClH/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21;/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28);1H	C19H21ClF2N6O	422.859	7	2	86.8	4	5	0	-0.4274	4.17936	2.56	3.171	44.2442	107.3877	2.7002	320.868567832843
Cond-010205	SB-693162	SB-693162	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	81.3718348739309	c1(c2c(non2)N)nc2c(n1CC)cccc2	InChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)	C11H11N5O	229.238	6	2	82.76	3	2	0	-0.5381	3.35756	2.01	1.8	18.7297	68.1594	1.6324	176.998189019528
Cond-010206	SB-698596-AC	SB-698596-AC	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	101.090608825078	O[C@H]([C@@H](O)C(=O)O)C(=O)O.CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)c2cccc(F)c2F)CC1	InChI=1S/C20H22F2N6O.C4H6O6/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22;5-1(3(7)8)2(6)4(9)10/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1	C24H28F2N6O7	550.512	7	2	86.8	4	6	0	-0.554	4.56946000000001	2.67	3.533	47.9746	112.0047	2.8411	338.164552458709
Cond-010207	SB-707548-A	SB-707548-A	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	11.9395707448961	c12occ(c1c(ncn2)N)c1ccc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F.Cl	InChI=1S/C20H13F4N5O2.ClH/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18;/h1-9H,(H2,25,26,27)(H2,28,29,30);1H	C20H14ClF4N5O2	467.804	7	4	106.07	4	6	0	0.0461000000000001	6.11065	2.45	4.333	23.0909	112.3458	2.7064	329.283760549316
Cond-010208	SB-707548-A	SB-707548-A	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	82.2429507081796	c12occ(c1c(ncn2)N)c1ccc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F.Cl	InChI=1S/C20H13F4N5O2.ClH/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18;/h1-9H,(H2,25,26,27)(H2,28,29,30);1H	C20H14ClF4N5O2	467.804	7	4	106.07	4	6	0	0.0461000000000001	6.11065	2.45	4.333	23.0909	112.3458	2.7064	329.283760549316
Cond-010209	SB-711237	SB-711237	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	104.629628083141	COc1ccc(cc1)c1ccc2c(NC(=O)C3CC3)n[nH]c2n1	InChI=1S/C17H16N4O2/c1-23-12-6-4-10(5-7-12)14-9-8-13-15(18-14)20-21-16(13)19-17(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,18,19,20,21,22)	C17H16N4O2	308.335	6	2	79.9	4	5	0	-0.7405	4.19286	2.67	2.999	30.5825	94.1147	2.2421	260.938187164723
Cond-010210	SB-725317	SB-725317	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	45.2421712100183	Oc1ccc(cc1)c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br	InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)	C16H13BrN4O2	373.204	6	3	90.9	4	4	0	-0.2602	4.65236	2.45	2.914	34.4304	96.9275	2.2762	262.925821516423
Cond-010211	SB-732881-H	SB-732881-H	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	74.1754189792188	OC(=O)/C=C\C(=O)O.CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c3ccc(O)cc3)c(Br)cc12	InChI=1S/C19H20BrN5O2.C4H4O4/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11;5-3(6)1-2-4(7)8/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1-	C23H24BrN5O6	546.371	7	3	94.14	4	4	0	-1.2087	4.58416000000001	2.67	2.767	49.3691	114.4245	2.7987	325.810535602191
Cond-010212	SB-734117	SB-734117	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	19.2007796386236	Nc1nonc1c1nc2cnccc2n1C1CCCCC1	InChI=1S/C14H16N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,19)	C14H16N6O	284.316	7	2	95.65	4	2	0	-2.3812	4.23786	2.23	1.809	26.6951	82.4024	2.0463	227.526444404495
Cond-010213	SB-734117	SB-734117	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	94.3500284521219	Nc1nonc1c1nc2cnccc2n1C1CCCCC1	InChI=1S/C14H16N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,19)	C14H16N6O	284.316	7	2	95.65	4	2	0	-2.3812	4.23786	2.23	1.809	26.6951	82.4024	2.0463	227.526444404495
Cond-010214	SB-735465	SB-735465	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	68.250483870183	Fc1ccc(F)c(c1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C17H13F2N3O/c18-11-4-6-14(19)13(8-11)10-3-5-12-15(7-10)21-22-16(12)20-17(23)9-1-2-9/h3-9H,1-2H2,(H2,20,21,22,23)	C17H13F2N3O	313.301	4	2	57.78	4	4	0	0.2707	4.66227	2.67	4.083	25.0117	88.6427	2.119	253.286317956608
Cond-010215	SB-735467	SB-735467	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	29.8923675410812	Fc1ccc(cc1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C17H14FN3O/c18-13-6-3-10(4-7-13)12-5-8-14-15(9-12)20-21-16(14)19-17(22)11-1-2-11/h3-9,11H,1-2H2,(H2,19,20,21,22)	C17H14FN3O	295.311	4	2	57.78	4	4	0	-0.209	4.52317	2.78	4.335	24.1392	88.6847	2.1013	247.218759106302
Cond-010216	SB-736290	SB-736290	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	94.5906461519603	Cn1c(nc2cnccc12)c1nonc1N	InChI=1S/C9H8N6O/c1-15-6-2-3-11-4-5(6)12-9(15)7-8(10)14-16-13-7/h2-4H,1H3,(H2,10,14)	C9H8N6O	216.199	7	2	95.65	3	1	0	-0.7885	2.26966	1.68	-0.019	14.4359	61.2614	1.4504	153.402979975962
Cond-010217	SB-736302	SB-736302	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	7.04191011462783	Nc1nonc1c1nc2cnccc2n1C1CC1	InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)	C11H10N6O	242.237	7	2	95.65	4	2	0	-1.5172	3.06756	1.9	0.524	17.9603	68.5514	1.6236	175.638490526895
Cond-010218	SB-736302	SB-736302	5-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	82.9851935341423	Nc1nonc1c1nc2cnccc2n1C1CC1	InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)	C11H10N6O	242.237	7	2	95.65	4	2	0	-1.5172	3.06756	1.9	0.524	17.9603	68.5514	1.6236	175.638490526895
Cond-010219	SB-738482	SB-738482	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	104.865774536806	NS(=O)(=O)c1ccc(cc1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C17H16N4O3S/c18-25(23,24)13-6-3-10(4-7-13)12-5-8-14-15(9-12)20-21-16(14)19-17(22)11-1-2-11/h3-9,11H,1-2H2,(H2,18,23,24)(H2,19,20,21,22)	C17H16N4O3S	356.399	7	4	126.32	4	5	0	-1.6252	2.98347	2.45	2.46	34.4083	94.6871	2.4643	288.237437922885
Cond-010220	SB-738561	SB-738561	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	102.384887943562	CCn1c(nc2ccncc12)c1nonc1N	InChI=1S/C10H10N6O/c1-2-16-7-5-12-4-3-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)	C10H10N6O	230.226	7	2	95.65	3	2	0	-0.5381	2.75256	1.79	0.404	18.7297	65.9544	1.5913	170.698964601828
Cond-010221	SB-739245-AC	SB-739245-AC	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	69.8507830460652	O[C@H]([C@@H](O)C(=O)O)C(=O)O.CCN1CCC(CC(=O)Nc2n[nH]c3nc(c4cccs4)c(Br)cc23)CC1	InChI=1S/C19H22BrN5OS.C4H6O6/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18;5-1(3(7)8)2(6)4(9)10/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1	C23H28BrN5O7S	598.467	6	2	102.15	4	6	0	-0.0340000000000003	5.72026000000001	2.67	3.838	62.6222	119.8707	2.9465	338.16579166003
Cond-010222	SB-739452	SB-739452	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	72.2315449066196	Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1c1ccco1	InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)	C14H11BrN4O2	347.167	6	2	83.81	4	4	0	0.0460000000000002	4.53976	2.23	2.484	33.4849	87.5287	2.0374	230.97031096549
Cond-010223	SB-742864	SB-742864	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	103.849902318242	CS(=O)(=O)Nc1cccc(c1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C18H18N4O3S/c1-26(24,25)22-14-4-2-3-12(9-14)13-7-8-15-16(10-13)20-21-17(15)19-18(23)11-5-6-11/h2-4,7-11,22H,5-6H2,1H3,(H2,19,20,21,23)	C18H18N4O3S	370.426	7	3	112.33	4	6	0	-1.5229	4.83637	2.56	3.33	40.105	107.2374	2.6052	305.533422548752
Cond-010224	SB-742865	SB-742865	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	111.900686627143	CS(=O)(=O)Nc1ccc(cc1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C18H18N4O3S/c1-26(24,25)22-14-7-4-11(5-8-14)13-6-9-15-16(10-13)20-21-17(15)19-18(23)12-2-3-12/h4-10,12,22H,2-3H2,1H3,(H2,19,20,21,23)	C18H18N4O3S	370.426	7	3	112.33	4	6	0	-1.5229	4.83637	2.56	3.33	40.105	107.2374	2.6052	305.533422548752
Cond-010225	SB-744941	SB-744941	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	85.3427669575957	CCn1c(nc2c(nccc12)N1CCCC1)c1nonc1N	InChI=1S/C14H17N7O/c1-2-21-9-5-6-16-13(20-7-3-4-8-20)10(9)17-14(21)11-12(15)19-22-18-11/h5-6H,2-4,7-8H2,1H3,(H2,15,19)	C14H17N7O	299.331	8	2	98.89	4	3	0	-1.0777	3.35276	2.12	1.009	36.8753	87.4014	2.1461	238.523204612662
Cond-010226	SB-750140	SB-750140	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	9.27103747148774	NCc1ccc(cc1)n1c(nc2cnccc12)c1nonc1N	InChI=1S/C15H13N7O/c16-7-9-1-3-10(4-2-9)22-12-5-6-18-8-11(12)19-15(22)13-14(17)21-23-20-13/h1-6,8H,7,16H2,(H2,17,21)	C15H13N7O	307.31	8	4	121.15	4	3	0	-1.6291	2.86526	2.23	1.226	17.6735	89.1948	2.158	237.009813136129
Cond-010227	SB-751399	SB-751399	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	98.6773553295185	CN(C)CCCn1c(nc2cnccc12)c1nonc1N	InChI=1S/C13H17N7O/c1-19(2)6-3-7-20-10-4-5-15-8-9(10)16-13(20)11-12(14)18-21-17-11/h4-5,8H,3,6-7H2,1-2H3,(H2,14,18)	C13H17N7O	287.32	8	2	98.89	3	5	0	-0.9378	2.68436	2.01	0.192	35.3666	83.4514	2.1138	233.583678687595
Cond-010228	SB-772077-B	SB-772077-B	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	67.917065725552	Cl.CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)c1nonc1N	InChI=1S/C15H18N8O2.ClH/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11;/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21);1H/t8-;/m0./s1	C15H19ClN8O2	378.817	10	4	141.98	4	4	0	-2.238	1.08377	2.01	-1.018	46.1272	95.3898	2.4025	272.969717446457
Cond-010229	SB-814597	SB-814597	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	100.611722421014	Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12	InChI=1S/C20H15FN2OS/c21-17-10-9-15(12-5-1-2-6-13(12)17)19(24)23-20-16(11-22)14-7-3-4-8-18(14)25-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,23,24)	C20H15FN2OS	350.409	3	1	81.13	4	3	1	0.2122	4.56698	3.11	5.261	37.4465	95.6052000000001	2.5017	301.346059431736
Cond-010230	SKF-62604	SKF-62604	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	TRUE	13.2429526018657	O=C1NC(=O)C(=C1Nc1ccccc1)c1ccccc1	InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)	C16H12N2O2	264.279	4	2	58.2	3	3	1	-1.3533	2.81747	2.78	5.616	24.1092	79.0004	1.9672	242.268682122523
Cond-010231	SKF-62604	SKF-62604	10-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	96.1713025226823	O=C1NC(=O)C(=C1Nc1ccccc1)c1ccccc1	InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)	C16H12N2O2	264.279	4	2	58.2	3	3	1	-1.3533	2.81747	2.78	5.616	24.1092	79.0004	1.9672	242.268682122523
Cond-010232	SKF-86002	SKF-86002	100-uM	GSK-KI	GSK-KI	TRUE	FALSE	FALSE	7.88625332698575	c1(c(c2ccc(cc2)F)nc2n1CCS2)c1ccncc1	InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2	C16H12FN3S	297.35	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474
Cond-010233	SKF-86002	SKF-86002	1-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	83.3962764248688	c1(c(c2ccc(cc2)F)nc2n1CCS2)c1ccncc1	InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2	C16H12FN3S	297.35	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474
Cond-010234	SKF-86055	SKF-86055	100-uM	GSK-KI	GSK-KI	TRUE	TRUE	FALSE	67.5636005842363	Fc1ccc(cc1)c1c(nc2SCCn12)c1ccncc1	InChI=1S/C16H12FN3S/c17-13-3-1-12(2-4-13)15-14(11-5-7-18-8-6-11)19-16-20(15)9-10-21-16/h1-8H,9-10H2	C16H12FN3S	297.35	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474
Cond-010235	NSC10010	10010	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	82.1951911196741	n1c2ccc(cc2c(cc1C)NCCCCCCCCCNc1cc(nc2c1cc(cc2)OC)C)OC.Cl	InChI=1S/C31H40N4O2.ClH/c1-22-18-30(26-20-24(36-3)12-14-28(26)34-22)32-16-10-8-6-5-7-9-11-17-33-31-19-23(2)35-29-15-13-25(37-4)21-27(29)31;/h12-15,18-21H,5-11,16-17H2,1-4H3,(H,32,34)(H,33,35);1H	C31H41ClN4O2	537.136	6	2	68.3	4	14	2	-2.0582	8.52141	4.21	7.389	62.5022	155.4934	4.1287	486.909054525259
Cond-010236	NSC100856	100856	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.898154410933	O=c1nc([nH]c(c1CCCOc1ccc(cc1)N)c1ccccc1)N.Cl	InChI=1S/C19H20N4O2.ClH/c20-14-8-10-15(11-9-14)25-12-4-7-16-17(13-5-2-1-3-6-13)22-19(21)23-18(16)24;/h1-3,5-6,8-11H,4,7,12,20H2,(H3,21,22,23,24);1H	C19H21ClN4O2	372.849	6	5	102.73	3	6	0	-2.5318	2.73326	2.89	4.473	42.6978	103.7675	2.5895	316.150156416457
Cond-010237	NSC1011	1011	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	101.748287741029	n1c2c(c(ccc2ccc1)C(c1ccccc1)Nc1ccc(cc1)C(=O)O)O	InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)	C23H18N2O3	370.401	5	3	82.45	4	5	1	-1.1709	4.91059	3.44	5.671	16.4818	111.3403	2.7746	330.064966400952
Cond-010238	NSC1026	1026	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.543042190179	C1CCCC1(N)C(=O)O	InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)	C6H11NO2	129.157	3	3	63.32	1	1	0	-1.3394	0.57639	1.79	-2.338	28.4712	36.2652	1.0196	125.916662663689
Cond-010239	NSC1027	1027	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	51.4067314362204	C(C(=O)C(Br)Br)(Br)(C)C	InChI=1S/C5H7Br3O/c1-5(2,8)3(9)4(6)7/h4H,1-2H3	C5H7Br3O	322.82	1	0	17.07	0	2	0	2.8471	3.07879	1.57	2.581	48.7465	52.898	1.3538	159.041006762595
Cond-010240	NSC1027	1027	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.38395651373369	C(C(=O)C(Br)Br)(Br)(C)C	InChI=1S/C5H7Br3O/c1-5(2,8)3(9)4(6)7/h4H,1-2H3	C5H7Br3O	322.82	1	0	17.07	0	2	0	2.8471	3.07879	1.57	2.581	48.7465	52.898	1.3538	159.041006762595
Cond-010241	NSC102811	102811	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.3567268335352	n1c(c2[nH]nc(c2nc1)C1OC(C(C1O)O)CO)N	InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)	C10H13N5O4	267.241	9	6	150.4	3	2	0	-2.8953	-1.86881	1.57	-1.881	35.1388	64.8118	1.7536	202.245801896945
Cond-010242	NSC102815	102815	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.489050014067	O1[C@@H]2Oc3c([C@@]1([C@@H]([C@H]([C@@H]2O)N(C)C)O)C)cc(c1c3C(=O)c2cc3[C@H]([C@](C[C@@H](c3c(c2C1=O)O)OC)(C)O)C(=O)OC)O	InChI=1S/C30H33NO12/c1-29(39)9-14(40-5)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-13(32)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,14,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t14-,19-,20-,24-,26+,28-,29+,30+/m0/s1	C30H33NO12	599.583	13	5	192.52	6	4	0	-2.6094	1.49098	3.33	-1.609	101.2623	154.2864	4.1012	524.248597579702
Cond-010243	NSC103248	103248	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.8140446412962	C1Cc2cc(c(cc2C2CC(C(CN12)CC)CC1c2cc(c(cc2CCN1C(=O)C1CCCN1C(=O)OCc1ccccc1)OC)OC)OC)OC	InChI=1S/C42H53N3O7/c1-6-28-25-43-17-14-29-21-37(48-2)39(50-4)23-32(29)35(43)19-31(28)20-36-33-24-40(51-5)38(49-3)22-30(33)15-18-44(36)41(46)34-13-10-16-45(34)42(47)52-26-27-11-8-7-9-12-27/h7-9,11-12,21-24,28,31,34-36H,6,10,13-20,25-26H2,1-5H3	C42H53N3O7	711.886	10	0	90.01	7	13	2	-1.5152	5.55989000000001	4.98	7.191	120.1214	198.669999999999	5.50350000000001	681.313423901226
Cond-010244	NSC104117	104117	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.28464617076	c1cc(ccc1/C=C/1\N=C(OC1=O)c1ccccc1)N(CCCl)CCCl	InChI=1S/C20H18Cl2N2O2/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18-20(25)26-19(23-18)16-4-2-1-3-5-16/h1-9,14H,10-13H2/b18-14-	C20H18Cl2N2O2	389.275	4	0	41.9	3	7	1	1.5128	4.36628	3	6.665	55.1146	109.324	2.7756	341.874756166857
Cond-010245	NSC104129	104129	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	5.99052564971328	Clc1ccc(c(Cl)c1)CCCCc1ccc(N2C(=NC(=NC2(C)C)N)N)cc1.Cl	InChI=1S/C21H25Cl2N5.ClH/c1-21(2)27-19(24)26-20(25)28(21)17-11-7-14(8-12-17)5-3-4-6-15-9-10-16(22)13-18(15)23;/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);1H	C21H26Cl3N5	454.824	5	4	80	3	6	1	0.0861000000000001	5.16908	3	6.71	60.5826	120.5878	3.1415	377.217026716902
Cond-010246	NSC104129	104129	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	72.0113743628448	Clc1ccc(c(Cl)c1)CCCCc1ccc(N2C(=NC(=NC2(C)C)N)N)cc1.Cl	InChI=1S/C21H25Cl2N5.ClH/c1-21(2)27-19(24)26-20(25)28(21)17-11-7-14(8-12-17)5-3-4-6-15-9-10-16(22)13-18(15)23;/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);1H	C21H26Cl3N5	454.824	5	4	80	3	6	1	0.0861000000000001	5.16908	3	6.71	60.5826	120.5878	3.1415	377.217026716902
Cond-010247	NSC10447	10447	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.694035783296	O=C1c2c(c(cc(c2C(=O)c2c1cccc2)O)O)O	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H	C14H8O5	256.21	5	3	94.83	3	0	0	-1.9085	1.91778	2.45	1.192	18.3858	70.1841	1.7049	214.690331256939
Cond-010248	NSC104801	104801	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0845619479743	C(=O)(/C(=C/C(=O)O)/Br)c1ccc(cc1)OC.[Na+]	InChI=1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/b9-6-;	C11H9BrNaO4+	308.081	4	1	63.6	1	4	0	0.2584	2.40138	2.12	2.268	37.6588	64.9433	1.7017	214.181604459545
Cond-010249	NSC105014	105014	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.475629968627	Clc1nc(c2ncn(c2n1)[C@@H]1O[C@@H]([C@H](C1)O)CO)N	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)	C10H12ClN5O3	285.687	8	4	119.31	3	2	0	-1.7568	0.22659	1.57	-0.692	37.4576	67.935	1.8173	208.666642966817
Cond-010250	NSC105808	105808	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	77.3216038229009	BrC1=C(C(=O)c2c(nccc2)C1=O)N	InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2	C9H5BrN2O2	253.052	4	2	73.05	2	0	0	-0.8038	0.92038	1.9	1.22	32.0946	55.7899	1.3935	171.646243522223
Cond-010251	NSC106296	106296	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.133921556792	N(=N\c1c(ccc2c1cccc2)O)/c1ccc(cc1)C	InChI=1S/C17H14N2O/c1-12-6-9-14(10-7-12)18-19-17-15-5-3-2-4-13(15)8-11-16(17)20/h2-11,20H,1H3/b19-18+	C17H14N2O	262.306	3	1	44.95	3	2	1	0.1817	5.2571	3	6.914	8.0667	83.105	2.0494	239.874440047828
Cond-010252	NSC106408	106408	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	35.7119321025234	N1c2c(c(ccc2C(=O)N2[C@H]([C@H]1OC)CC(=C2)/C=C/C(=O)N)C)O	InChI=1S/C17H19N3O4/c1-9-3-5-11-14(15(9)22)19-16(24-2)12-7-10(4-6-13(18)21)8-20(12)17(11)23/h3-6,8,12,16,19,22H,7H2,1-2H3,(H2,18,21)/b6-4+/t12-,16+/m0/s1	C17H19N3O4	329.35	7	4	104.89	3	3	0	-1.3036	1.46969	2.56	-0.116	63.59	92.5466	2.4113	304.314797759279
Cond-010253	NSC106995	106995	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.040563051901	n1c2c(nc3c(ccc(c13)C(=O)OC)O)c(c(cc2O)O)C=O	InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3	C15H10N2O6	314.25	8	3	129.84	3	3	0	-1.5621	2.24307	2.23	0.357	25.9761	85.2471	2.0611	249.233604298901
Cond-010254	NSC106997	106997	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	66.5755194474468	C(=O)(CCCC(C)C)CCCCCCC(=O)CCN(C(=O)C(N)CO)O.S(=O)(=O)(O)O	InChI=1S/C19H36N2O5.H2O4S/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22;1-5(2,3)4/h15,18,22,26H,3-14,20H2,1-2H3;(H2,1,2,3,4)	C19H38N2O9S	470.578	7	4	120.93	0	17	1	-3.4391	2.45289	2.78	1.218	91.7064	102.8257	3.1498	395.215444409008
Cond-010255	NSC106997	106997	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	19.1361278482968	C(=O)(CCCC(C)C)CCCCCCC(=O)CCN(C(=O)C(N)CO)O.S(=O)(=O)(O)O	InChI=1S/C19H36N2O5.H2O4S/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22;1-5(2,3)4/h15,18,22,26H,3-14,20H2,1-2H3;(H2,1,2,3,4)	C19H38N2O9S	470.578	7	4	120.93	0	17	1	-3.4391	2.45289	2.78	1.218	91.7064	102.8257	3.1498	395.215444409008
Cond-010256	NSC107412	107412	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.215574094636	[nH]1c(ccc1C)C(=O)OC1C(C(OC(C1OC)(C)C)Oc1ccc2c(c(c(=O)oc2c1C)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(c2ccc(OC3OC(C(C(C3O)OC(=O)c3[nH]c(cc3)C)OC)(C)C)c(c2oc1=O)C)O)O)O	InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)	C55H59N5O20	1110.08	25	9	347.07	9	18	4	-1.6648	5.29036000000002	4.76	6.593	180.9403	286.111599999999	7.69370000000002	972.186645852321
Cond-010257	NSC107415	107415	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	105.705297198815	N12C(C34OC(=O)C=C3C=CC1C4)CCCC2	InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2	C13H15NO2	217.264	3	0	29.54	4	0	0	-0.4271	1.49127	2.56	1.018	55.5293	61.499	1.5941	204.646261540756
Cond-010258	NSC109350	109350	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.8142359807252	CCC1CN2CCc3cc(c(cc3C2CC1CC1c2cc(c(cc2CCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)OC)OC)OC)OC	InChI=1S/C45H58N4O7/c1-9-27-26-48-16-14-28-21-39(52-5)41(54-7)23-33(28)37(48)19-30(27)20-38-34-24-42(55-8)40(53-6)22-29(34)15-17-49(38)43(50)36(47-44(51)56-45(2,3)4)18-31-25-46-35-13-11-10-12-32(31)35/h10-13,21-25,27,30,36-38,46H,9,14-20,26H2,1-8H3,(H,47,51)	C45H58N4O7	766.965	11	2	114.59	7	15	2	-0.286800000000001	6.63878	5.2	7.222	132.5397	219.704699999999	5.98300000000002	730.661679286193
Cond-010259	NSC109444	109444	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.299358535352	N1=C(C2C(CC3N(CCCC3C2c2ccccc2)C)c2ccccc2)CCCC1.Cl	InChI=1S/C27H34N2.ClH/c1-29-18-10-15-22-25(29)19-23(20-11-4-2-5-12-20)27(24-16-8-9-17-28-24)26(22)21-13-6-3-7-14-21;/h2-7,11-14,22-23,25-27H,8-10,15-19H2,1H3;1H	C27H35ClN2	423.033	2	0	15.6	5	3	1	-1.1755	5.80689000000001	4.21	8.751	63.7979	122.583	3.2685	395.504059605936
Cond-010260	NSC111041	111041	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.456946796777	O=C1c2[nH]c(=O)ccc2C(=N)C=C1N	InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3,10H,11H2,(H,12,13)	C9H7N3O2	189.171	5	4	96.04	2	0	0	-1.6533	-0.61597	1.9	0.0079999999999999	51.8536	51.7458	1.3183	174.259384752823
Cond-010261	NSC113090	113090	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.272981372068	C1(C2C(CC1)(CCC1(C2CCC2C1(CCC1C2(CCC(C1(C)C)O)C)C)C)C(=O)O)C(=C)C	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)	C30H48O3	456.7	3	2	57.53	5	2	1	2.3495	7.24958000000001	4.43	9.407	131.7547	135.5846	3.8827	486.751466672887
Cond-010262	NSC115493	115493	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.284194521771	O=C1C=C2C3(C(C(CC3)C(C)(O)C(O)CCC(C)(C)O)(CCC2C2(CC(C(CC12O)O)O)C)C)O.O=C1C=C2C3(C(C(CC3)C(C)(O)C(O)CCC(C)(C)O)(CCC2C2(CC(C(CC12)O)O)C)C)O	InChI=1S/C27H44O8.C27H44O7/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3;1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3;12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3	C54H88O15	977.268	8	7	158.68	4	5	1	-1.79870000000001	1.12898000000001	3.55	0.32	127.424	131.0346	3.8621	491.171104998892
Cond-010263	NSC115538	115538	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6909056198204	o1c2cc(c(cc2c(c(c1=O)CC(=O)OCC)C)C(=O)c1ccccc1)O	InChI=1S/C21H18O6/c1-3-26-19(23)10-15-12(2)14-9-16(17(22)11-18(14)27-21(15)25)20(24)13-7-5-4-6-8-13/h4-9,11,22H,3,10H2,1-2H3	C21H18O6	366.364	6	1	89.9	3	6	0	0.199800000000001	4.19146	3.11	4.397	48.4142	104.1215	2.6639	339.279532936968
Cond-010264	NSC116693	116693	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7157175992075	c1(ccc(cc1[S+](c1ccc(cc1)C)c1ccccc1)C)C.c1(ccccc1)C(=O)OC(C(=O)O)C(C(=O)[O-])OC(=O)c1ccccc1	InChI=1S/C21H21S.C18H14O8/c1-16-10-13-20(14-11-16)22(19-7-5-4-6-8-19)21-15-17(2)9-12-18(21)3;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h4-15H,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/q+1;/p-1	C39H34O8S	662.747	8	1	130.03	2	9	0	-1.6538	0.50599	2.56	4.253	31.3898	87.1768	2.4457	316.01026181089
Cond-010265	NSC11779	11779	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.350992754799	C1(C(C1C(=O)O)(C)C)C=C(C)C	InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)	C10H16O2	168.233	2	1	37.3	1	2	0	1.955	2.46948	2.34	2.533	48.348	50.8008	1.4404	181.467382258189
Cond-010266	NSC118030	118030	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9774458439663	CN1c2c([Sn](c3c1ccc(c3)C)(c1ccccc1)c1ccccc1)cc(cc2)C	InChI=1S/C15H15N.2C6H5.Sn/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;2*1-2-4-6-5-3-1;/h4-8,10H,1-3H3;2*1-5H;	C27H25NSn	482.195	1	0	3.24	5	2	1	1.3995	4.19052	4.21	9.723	19.5989	123.314	3.3246	NA
Cond-010267	NSC118732	118732	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.823228287412	N1c2c(ccc(c2/C(=N/Nc2ccccc2N(=O)=O)/C1=O)C)C	InChI=1S/C16H14N4O3/c1-9-7-8-10(2)14-13(9)15(16(21)17-14)19-18-11-5-3-4-6-12(11)20(22)23/h3-8,18H,1-2H3,(H,17,19,21)	C16H14N4O3	310.307	7	2	96.63	3	3	1	0.7833	3.06452	2.45	5.793	32.2388	92.0484	2.2255	273.052429239418
Cond-010268	NSC118735	118735	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.8110522859547	Clc1c2c(NC(=O)/C/2=N\Nc2ccccc2N(=O)=O)c(cc1)C	InChI=1S/C15H11ClN4O3/c1-8-6-7-9(16)12-13(8)17-15(21)14(12)19-18-10-4-2-3-5-11(10)20(22)23/h2-7,18H,1H3,(H,17,19,21)	C15H11ClN4O3	330.726	7	2	96.63	3	3	1	0.8856	3.6899	2.23	5.355	32.3523	93.4184	2.207	270.967512383984
Cond-010269	NSC118742	118742	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.1202401059203	n1c(nc(nc1N(C)C)NC)N(C)C.Cl	InChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H	C8H17ClN6	232.714	6	1	57.18	1	3	0	0.1175	1.26087	1.68	0.046	37.5795	61.1507	1.597	181.739062153534
Cond-010270	NSC11897	11897	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	91.3410559108523	O=C1C(=C(C(=O)c2c1cccc2)O)C	InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,13H,1H3	C11H8O3	188.179	3	1	54.37	2	0	0	-0.1765	1.79218	2.34	2.489	26.8981	53.1833	1.3594	173.751300080617
Cond-010271	NSC118976	118976	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	85.6986712151456	c1c(cccc1)CN=C=S	InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2	C8H7NS	149.213	1	0	44.45	1	2	0	0.0517000000000001	1.0234	2.12	4.36	19.9578	41.832	1.1755	139.9913677687
Cond-010272	NSC11905	11905	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	90.0397345864466	O=C1C(=C(C(=O)c2c1cccc2)O)CC=C(C)C	InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3	C15H14O3	242.27	3	1	54.37	2	2	0	1.0589	3.05477	2.78	3.931	46.2533	71.2873000000001	1.88	240.298779883284
Cond-010273	NSC11926	11926	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.218356451969	O1COc2c1c1c(c(c2)C(=O)O)c(cc2c1cccc2OC)N(=O)=O	InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)	C17H11NO7	341.272	8	1	108.13	4	3	0	0.0657999999999999	3.66488	2.45	2.79	25.8972	94.6988	2.1932	269.262581342229
Cond-010274	NSC11930	11930	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	101.764683214353	Ic1cc(c(cc1)OCCN(C)C)Cc1ccccc1.Cl	InChI=1S/C17H20INO.ClH/c1-19(2)10-11-20-17-9-8-16(18)13-15(17)12-14-6-4-3-5-7-14;/h3-9,13H,10-12H2,1-2H3;1H	C17H21ClINO	417.712	2	0	12.47	2	6	1	1.9632	4.1903	3	6.427	43.8821	93.762	2.4454	285.320316313128
Cond-010275	NSC119686	119686	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.4740959554374	n1ccc2c(c3sc4c(c3c(c2c1)C)cccc4)C	InChI=1S/C17H13NS/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9H,1-2H3	C17H13NS	263.357	1	0	41.13	4	0	0	1.8746	4.17104	3.11	4.465	18.7977	78.73	1.9888	217.976477196701
Cond-010276	NSC119686	119686	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	73.177135966988	n1ccc2c(c3sc4c(c3c(c2c1)C)cccc4)C	InChI=1S/C17H13NS/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9H,1-2H3	C17H13NS	263.357	1	0	41.13	4	0	0	1.8746	4.17104	3.11	4.465	18.7977	78.73	1.9888	217.976477196701
Cond-010277	NSC119875	119875	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.639383179058	[Cl]=[Pt](=[Cl])(N)N	InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+2	Cl2H4N2Pt	298.029	2	0	0	0	0	0	NA	-6.9557	0.91	NA	NA	4.268	0.4444	NA
Cond-010278	NSC123115	123115	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4352298506597	C1(=C(C(=O)C2=C(C1=O)[C@@H]([C@]1(N2C[C@@H]2[C@H]1N2)OC)COC(=O)N)C)NCCC	InChI=1S/C18H24N4O5/c1-4-5-20-12-8(2)14(23)13-11(15(12)24)9(7-27-17(19)25)18(26-3)16-10(21-16)6-22(13)18/h9-10,16,20-21H,4-7H2,1-3H3,(H2,19,25)/t9-,10+,16+,18-/m0/s1	C18H24N4O5	376.407	9	4	132.9	4	7	0	-1.787	-1.15993	2.45	-0.142	93.4992	96.5308	2.6881	345.214227994674
Cond-010279	NSC123390	123390	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0585390347609	C1Oc2c(O1)cc1c(c2)c2c(c3ccc(c(c3c[n+]2CC1)OC)OC)O	InChI=1S/C20H17NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-9H,5-6,10H2,1-2H3/p+1	C20H18NO5+	352.361	6	1	61.03	5	2	0	-2.0433	4.92197	3	1.933	33.8323	102.782	2.4544	295.168311169107
Cond-010280	NSC125066	125066	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	91.0511007493499	s1c(nc(c1)c1scc(n1)C(=O)NCCC[S+](C)C)CCNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)[C@H](NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)C(OC1OC(C(O)C(O)C1OC1OC(C(O)C(OC(=O)N)C1O)CO)CO)c1[nH]cnc1)C)C)[C@H](O)C.S(=O)(=O)(O)[O-]	InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41?,42?,43?,53?,54?;/m0./s1	C55H85N17O25S4	1512.62	38	25	683.55	6	41	3	-10.0755	-7.31160999999999	3	-8.13899999999999	255.6964	346.297599999999	9.91680000000003	1225.66204877889
Cond-010281	NSC125066	125066	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	6.42542074370696	s1c(nc(c1)c1scc(n1)C(=O)NCCC[S+](C)C)CCNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)[C@H](NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)C(OC1OC(C(O)C(O)C1OC1OC(C(O)C(OC(=O)N)C1O)CO)CO)c1[nH]cnc1)C)C)[C@H](O)C.S(=O)(=O)(O)[O-]	InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41?,42?,43?,53?,54?;/m0./s1	C55H85N17O25S4	1512.62	38	25	683.55	6	41	3	-10.0755	-7.31160999999999	3	-8.13899999999999	255.6964	346.297599999999	9.91680000000003	1225.66204877889
Cond-010282	NSC125176	125176	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	61.968725406213	N1C(=O)/C=C/C(C(OC(=O)C2=CCCN2C(=O)c2nc(oc2)CC(=O)CC(/C=C(/C=C\C1)\C)O)C(C)C)C.O=C1CCN2C(=O)C(N(C(=O)C3N(C(=O)C(NC(=O)C(C(OC(=O)C(NC(=O)C2C1)c1ccccc1)C)NC(=O)c1ncccc1O)CC)CCC3)C)Cc1ccc(cc1)N(C)C	InChI=1S/C45H54N8O10.C28H35N3O7/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5-,10-9+,18-13+	C73H89N11O17	1392.55	18	4	227.96	6	8	1	-5.9031	1.16279000000001	4.43	4.277	146.0945	230.230399999999	6.45190000000002	811.093565417343
Cond-010283	NSC126727	126727	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9568237385958	COc1ccc(cc1OC)C1c2cc3c(c(c2CC2C1C(=O)CO2)OC)OCO3	InChI=1S/C22H22O7/c1-24-15-5-4-11(6-16(15)25-2)19-12-7-18-22(29-10-28-18)21(26-3)13(12)8-17-20(19)14(23)9-27-17/h4-7,17,19-20H,8-10H2,1-3H3	C22H22O7	398.406	7	0	72.45	5	4	0	-1.212	3.43118	3.11	1.52	56.5558	106.824	2.7753	348.562202964196
Cond-010284	NSC126728	126728	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	19.6908867465088	O=C1OC[C@@]23[C@H](O[C@@H]4[C@]5(OC5)[C@]3([C@H](OC(=O)/C=C\C=C\C(=O)OCC[C@H](C1O)C)C4)C)C=C(CC2)C.C	InChI=1S/C27H34O9.CH4/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3;/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3;1H4/b6-4+,7-5-;/t17-,18-,19-,20+,23?,25?,26-,27+;/m1./s1	C28H38O9	518.596	9	1	120.89	5	0	0	-0.3792	2.18306	3.44	2.393	124.554	127.7908	3.6402	477.059038195453
Cond-010285	NSC126728	126728	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	52.2213445968306	O=C1OC[C@@]23[C@H](O[C@@H]4[C@]5(OC5)[C@]3([C@H](OC(=O)/C=C\C=C\C(=O)OCC[C@H](C1O)C)C4)C)C=C(CC2)C.C	InChI=1S/C27H34O9.CH4/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3;/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3;1H4/b6-4+,7-5-;/t17-,18-,19-,20+,23?,25?,26-,27+;/m1./s1	C28H38O9	518.596	9	1	120.89	5	0	0	-0.3792	2.18306	3.44	2.393	124.554	127.7908	3.6402	477.059038195453
Cond-010286	NSC126771	126771	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.4054572139147	O=C1C(=C(C(=O)c2c1cccc2)O)CC=C(Cl)Cl	InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,18H,5H2	C13H8Cl2O3	283.107	3	1	54.37	2	2	0	0.951	3.40757	2.34	4.016	46.7826	71.6453	1.843	236.128946172417
Cond-010287	NSC126849	126849	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.087979485282	O1C(N2C(=O)CC(=O)C=C2)C(C(C1CO)O)O	InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2	C10H13NO6	243.213	7	3	107.3	2	2	0	-2.5661	-2.09942	1.79	-2.164	54.2182	56.3434	1.6234	212.632131867
Cond-010288	NSC12825	12825	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.744642311127	n1c(c2ccccc2)c(Br)c(c2c1cccc2)O	InChI=1S/C15H10BrNO/c16-13-14(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15(13)18/h1-9H,(H,17,18)	C15H10BrNO	300.15	2	1	33.12	3	1	1	0.4285	5.19408	2.78	5.481	11.1637	80.888	1.8858	216.205788266295
Cond-010289	NSC128305	128305	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9440205471148	O=c1cc(oc2c1c(cc(c2)O)O)c1cc(c(cc1)OC)OC	InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3	C17H14O6	314.289	6	2	85.22	3	3	0	-1.5278	3.01767	2.67	1.642	36.2971	86.2736	2.1863	275.368511835101
Cond-010290	NSC128734	128734	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.2980092799297	n1ccc2nc3n(nnc4ccccc34)c2c1	InChI=1S/C12H7N5/c1-2-4-9-8(3-1)12-14-10-5-6-13-7-11(10)17(12)16-15-9/h1-7H	C12H7N5	221.217	5	0	55.43	4	0	0	-0.0905	3.81748	2.23	2.44	7.2142	65.844	1.52	167.874570842434
Cond-010291	NSC129414	129414	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	N12CCc3cc(c(cc3[C@@H]1CC(=C(C2)CC)C[C@@H]1c2cc(c(cc2CCN1)OC)OC)OC)OC.Cl	InChI=1S/C29H38N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,24-25,30H,6-12,17H2,1-5H3;1H/t24-,25+;/m1./s1	C29H39ClN2O4	515.084	6	1	52.19	5	7	0	0.339099999999999	4.75238000000001	3.99	2.743	93.2569	138.3437	3.7851	465.256935659914
Cond-010292	NSC129943	129943	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.1442500203814	C1(=O)CN(CC(=O)N1)CC(N1CC(=O)NC(=O)C1)C	InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)	C11H16N4O4	268.269	8	2	98.82	2	3	0	-2.2849	-2.47441	1.79	-2.616	62.8188	67.0174	1.9033	242.701485015445
Cond-010293	NSC132493	132493	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.013235743823	O=C1c2nc(ccc2C(=O)C(=C1N)OC)C	InChI=1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3	C11H10N2O3	218.209	5	2	82.28	2	1	0	-1.3156	0.6598	2.12	1.204	36.9364	58.8189	1.559	195.74482049695
Cond-010294	NSC132791	132791	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O=C1[C@H]([C@@]2([C@H]3[C@]4(OC[C@@]53[C@H]([C@H]([C@H]4O)C)[C@@H](OC(=O)[C@](O)(C)CC)C(=O)O[C@@H]5C[C@H]2C(=C1)C)O)C)O	InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1	C25H34O10	494.531	10	4	159.82	5	4	0	-2.104	0.00898000000000143	3.11	0.159	116.4949	120.1182	3.5031	456.53021304588
Cond-010295	NSC133071	133071	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	Clc1c(OCCCOc2ccccc2)ccc(N2C(N=C(N=C2N)N)(C)C)c1.C(C)S(=O)(=O)O	InChI=1S/C20H24ClN5O2.C2H6O3S/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15;1-2-6(3,4)5/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)	C22H30ClN5O5S	512.022	7	4	98.46	3	7	0	-0.779999999999999	4.29897	2.78	4.641	54.9872	116.6038	2.9956	362.290427721724
Cond-010296	NSC135996	135996	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.7098764257484	N1(CC(S/C/1=N/c1cccc2c1cccc2)OC)C.Br	InChI=1S/C15H16N2OS.BrH/c1-17-10-14(18-2)19-15(17)16-13-9-5-7-11-6-3-4-8-12(11)13;/h3-9,14H,10H2,1-2H3;1H/b16-15+;	C15H17BrN2OS	353.277	3	0	50.13	3	2	0	0.8267	3.37609	2.67	4.97	37.3954	82.876	2.0601	242.600870956095
Cond-010297	NSC136037	136037	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.6051348079375	O1C2(C(=O)OCC3C42C(C=C3C(=O)O)C(C(=C4)C)C)C1.c1(ccccc1)CN	InChI=1S/C15H16O5.C7H9N/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15;8-6-7-4-2-1-3-5-7/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17);1-5H,6,8H2	C22H25NO5	383.438	5	1	76.13	4	1	0	0.0381000000000002	1.23787	2.56	0.121	69.065	70.3978	1.9092	251.975691985206
Cond-010298	NSC136044	136044	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.440841525767	O=C1c2c(c3[C@@H](OC4OC(C(C(C4)N(C)C)O)C)[C@@](C[C@H](OC4OC(C(C(C4)N(C)C)O)C)c3c(c2C(=O)c2c1cccc2O)O)(O)CC)O	InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15?,16?,18?,19?,21-,22?,23?,29?,30?,35+,36+/m0/s1	C36H48N2O12	700.773	14	6	198.92	6	7	2	-4.3484	2.22779000000001	3.88	-0.716	127.8627	183.9567	5.08940000000001	641.657724243866
Cond-010299	NSC138429	138429	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.3682464891093	O(C(=O)CCC)CC1OC(n2ccc(nc2=O)N)C(OC(=O)CCC)C1OC(=O)CCC	InChI=1S/C21H31N3O8/c1-4-7-15(25)29-12-13-18(31-16(26)8-5-2)19(32-17(27)9-6-3)20(30-13)24-11-10-14(22)23-21(24)28/h10-11,13,18-20H,4-9,12H2,1-3H3,(H2,22,23,28)	C21H31N3O8	453.486	11	2	146.82	2	14	2	-2.4396	1.20677	2.56	1.635	104.0825	115.5004	3.3613	434.552560466591
Cond-010300	NSC138925	138925	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	63.3325688032411	O(C1C(OC2OC(CN)C(C(C2N)O)O)C(N)CC(C1O)N)C1OC(C(C1O)O)CO	InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2	C17H34N4O10	454.473	14	14	262.38	3	6	2	-6.983	-6.6523	1.79	-4.814	98.2182	101.7854	3.1643	397.408129076414
Cond-010301	NSC139105	139105	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	Clc1c(OCc2cc(ccc2)C(=O)N(C)C)ccc(N2C(N=C(N=C2N)N)(C)C)c1.C(C)S(=O)(=O)O	InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)	C23H31ClN6O5S	539.047	8	4	109.54	3	6	0	-0.779699999999999	2.93598	2.78	3.585	64.5792	124.3728	3.1933	387.946713854958
Cond-010302	NSC139109	139109	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.906436972541	c1c(cc(cc1)C)NC(=O)/C=C/c1ccc(cc1)N(=O)=O	InChI=1S/C16H14N2O3/c1-12-3-2-4-14(11-12)17-16(19)10-7-13-5-8-15(9-6-13)18(20)21/h2-11H,1H3,(H,17,19)/b10-7+	C16H14N2O3	282.294	5	1	72.24	2	5	1	1.0284	3.78499	2.67	5.392	27.0771	85.1397	2.1345	263.415367523884
Cond-010303	NSC139490	139490	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.9318735028235	CN1c2c(NCC1CCNc1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)O)nc(nc2O)N	InChI=1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)	C21H27N7O6	473.482	13	8	203.03	3	11	3	-3.7754	1.71087	2.34	-2.695	70.379	128.8064	3.4055	418.893313094936
Cond-010304	NSC13966	13966	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.903229790996	c1cc(cc2c1c1ccc(cc1S2(=O)=O)N)N	InChI=1S/C12H10N2O2S/c13-7-1-3-9-10-4-2-8(14)6-12(10)17(15,16)11(9)5-7/h1-6H,13-14H2	C12H10N2O2S	246.285	4	4	94.56	3	0	0	-1.925	2.22649	2.23	0.902	17.0858	62.7348	1.6961	199.503143779056
Cond-010305	NSC13973	13973	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	85.8568180200255	c1c(c(cc2c1cc1cc(c(cc1n2)N)C)N)C.Cl	InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H	C15H16ClN3	273.761	3	4	64.93	3	0	0	-0.2158	5.33963	2.78	2.398	19.4484	77.7588	1.8947	212.761921705301
Cond-010306	NSC140377	140377	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.2998780030984	C(=CCC(OC(=O)C=C(C)C)c1cc(c2c(c1O)C(=O)C=CC2=O)O)(C)C	InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,24,26H,8H2,1-4H3	C21H22O6	370.396	6	2	100.9	2	6	0	1.926	4.03646000000001	3.11	1.817	80.2613	104.2248	2.8155	365.172450338569
Cond-010307	NSC140377	140377	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	8.05563626877808	C(=CCC(OC(=O)C=C(C)C)c1cc(c2c(c1O)C(=O)C=CC2=O)O)(C)C	InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,24,26H,8H2,1-4H3	C21H22O6	370.396	6	2	100.9	2	6	0	1.926	4.03646000000001	3.11	1.817	80.2613	104.2248	2.8155	365.172450338569
Cond-010308	NSC140911	140911	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.830891504673	c1c(cc(cc1)N=C=S)S(=O)(=O)c1cccc(c1)N=C=S	InChI=1S/C14H8N2O2S3/c17-21(18,13-5-1-3-11(7-13)15-9-19)14-6-2-4-12(8-14)16-10-20/h1-8H	C14H8N2O2S3	332.421	4	0	131.42	2	4	1	0.1034	3.57809	2.23	6.108	39.5064	88.562	2.2415	272.923785043589
Cond-010309	NSC14229	14229	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.027538650579	Clc1ccc2c(c3cc(ccc3nc2c1)OC)N[C@@H](C)CCCN(CC)CC.Cl	InChI=1S/C23H30ClN3O.ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H	C23H31Cl2N3O	436.418	4	1	37.39	3	9	1	0.427199999999999	6.37759000000001	3.44	5.121	58.9424	121.9587	3.203	375.13109318323
Cond-010310	NSC142982	142982	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7052964882958	O=c1c2c(ccc(c2sc2c1cccc2)CO)NCCN(CC)CC.CS(=O)(=O)O	InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)	C21H28N2O5S2	452.587	4	2	77.87	3	7	0	0.1995	3.34498	3.11	3.084	56.0197	101.0665	2.7803	335.234562085191
Cond-010311	NSC143648	143648	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.531095888975	n1c(c2c(cn(c2nc1)C1OC(C(C1O)O)CO)C(=O)N)N.Cl	InChI=1S/C12H15N5O5.ClH/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12;/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16);1H	C12H16ClN5O5	345.739	10	7	169.74	3	3	0	-2.9139	-1.78372	1.68	-2.754	41.9579	78.0592	2.0511	242.991539148439
Cond-010312	NSC145150	145150	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.7673535747521	O=C1OCC2C3(C=C(C(C3C=C2C(=O)O)C)C)C1=C	InChI=1S/C15H16O4/c1-7-5-15-9(3)14(18)19-6-12(15)10(13(16)17)4-11(15)8(7)2/h4-5,8,11-12H,3,6H2,1-2H3,(H,16,17)	C15H16O4	260.285	4	1	63.6	3	1	0	0.9774	1.95126	2.67	2.045	69.3578	70.5848	1.9161	252.905465284645
Cond-010313	NSC145366	145366	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	5.72492930043157	O(c1ccc(cc1)C(c1ccc(OCC(O)CNC(C)(C)CC(C)(C)C)cc1)(C)C)CC(CNC(CC(C)(C)C)(C)C)O.Cl	InChI=1S/C37H62N2O4.ClH/c1-33(2,3)25-35(7,8)38-21-29(40)23-42-31-17-13-27(14-18-31)37(11,12)28-15-19-32(20-16-28)43-24-30(41)22-39-36(9,10)26-34(4,5)6;/h13-20,29-30,38-41H,21-26H2,1-12H3;1H	C37H63ClN2O4	635.36	6	4	82.98	2	18	2	3.7332	7.36879	4.87	10.543	129.5355	181.451	5.28110000000001	643.330647470045
Cond-010314	NSC145669	145669	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8304166496418	N1C(NC(=O)c2c1cccc2)c1c2c(cccc2)ccc1	InChI=1S/C18H14N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H,(H,20,21)	C18H14N2O	274.317	3	2	41.13	4	1	1	-0.923	3.92128	3.11	6.142	13.919	86.7064	2.0817	244.813965972895
Cond-010315	NSC14574	14574	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	100.647159161959	O=c1c2c(ccc(c2sc2c1cccc2)C)NCCN(CC)CC.Cl	InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H	C20H25ClN2OS	376.943	3	1	57.64	3	6	0	1.2902	4.2202	3.22	4.216	54.245	99.5397	2.7216	326.44433538463
Cond-010316	NSC146268	146268	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	102.3362690126	S=c1n(ncc(=O)[nH]1)C1OC(C(C1O)O)CO	InChI=1S/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)	C8H11N3O5S	261.255	8	4	146.71	2	2	0	-0.8682	-2.63821	1.35	-1.589	57.8091	62.0751	1.646	209.752480388639
Cond-010317	NSC146397	146397	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.9392418367603	O1c2c(OC1)cc1c3[n+](cc4cc(c(cc4c3ccc1c2)OC)OC)C.[Cl-]	InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1	C21H18ClNO4	383.825	5	0	40.8	5	2	0	-1.7479	5.91847	3.22	3.37	27.8004	106.728	2.4936	290.137610393613
Cond-010318	NSC146604	146604	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.678398507681	O=c1n(cc(F)c(=O)[nH]1)C1OC(C(C1O)O)CO	InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)	C9H11FN2O6	262.192	8	4	119.33	2	2	0	-2.437	-2.05182	1.46	-2.001	51.9685	55.3021	1.6	212.400466299607
Cond-010319	NSC147340	147340	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	12.2694939892011	N1[C@H]([C@H]([C@@H](C1)O)OC(=O)C)Cc1ccc(cc1)OC.Cl	InChI=1S/C14H19NO4.ClH/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10;/h3-6,12-15,17H,7-8H2,1-2H3;1H/t12-,13+,14+;/m0./s1	C14H20ClNO4	301.766	5	2	67.79	2	5	0	-1.0909	0.73599	2.45	1.665	44.6678	73.2925	2.0266	250.699158268545
Cond-010320	NSC147340	147340	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	70.5312062692865	N1[C@H]([C@H]([C@@H](C1)O)OC(=O)C)Cc1ccc(cc1)OC.Cl	InChI=1S/C14H19NO4.ClH/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10;/h3-6,12-15,17H,7-8H2,1-2H3;1H/t12-,13+,14+;/m0./s1	C14H20ClNO4	301.766	5	2	67.79	2	5	0	-1.0909	0.73599	2.45	1.665	44.6678	73.2925	2.0266	250.699158268545
Cond-010321	NSC148958	148958	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.7019842069802	O1[C@@H](n2c(=O)[nH]c(=O)c(F)c2)CCC1	InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1	C8H9FN2O3	200.167	5	1	58.64	2	1	0	-1.4809	0.64568	1.68	-0.127	39.9042	46.5157	1.283	168.733801572057
Cond-010322	NSC14974	14974	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	93.0648128680168	O1C2(C(C(C3C(C(=O)OC4C3(C2C2(C(C(C=C(C2C4)C)O)O)C)C1)O)C)O)O	InChI=1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3	C20H28O8	396.432	8	5	136.68	5	0	0	-1.9643	-0.91112	2.78	-0.102	94.1241	96.3300000000001	2.7672	357.742753917024
Cond-010323	NSC14975	14975	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	103.262174825086	O1[C@]2([C@@H]([C@@H]([C@H]3[C@]4([C@H]2[C@]2([C@@H]([C@H](C=C([C@@H]2C[C@H]4OC(=O)[C@@H]3OC(=O)[C@](O)(C)CC)C)O)O)C)C1)C)O)O	InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1	C25H36O10	496.547	10	5	162.98	5	4	0	-2.1375	-0.199219999999998	3.11	0.166	117.2616	121.118	3.54610000000001	459.16667174668
Cond-010324	NSC149765	149765	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	105.198673524332	n1c2c(cc(cc2ccc1)OC)NC(CCCN)C.P(=O)(O)(O)O	InChI=1S/C15H21N3O.H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)	C15H24N3O5P	357.342	4	3	60.17	2	6	0	-1.7856	3.18789	2.67	2.133	34.6699	80.7091	2.148	250.081524508262
Cond-010325	NSC15200	15200	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.821110788196	[Ga].N(=O)(=O)O	InChI=1S/Ga.HNO3/c;2-1(3)4/h;(H,2,3,4)	GaHNO3	132.736	4	1	63.37	0	0	0	0.5438	-0.4887	1.02	-0.142	6.1678	10.6545	0.3415	43.28744030985
Cond-010326	NSC153858	153858	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.235278939543	O=C1O[C@H]2C[C@@](N1)([C@@H](/C=C/C=C(/Cc1cc(c(Cl)c(N(C(=O)C[C@H](OC(=O)[C@@H](N(C(=O)C)C)C)[C@@]3(O[C@H]3[C@@H]2C)C)C)c1)OC)\C)OC)O.*.*	InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1	C34H46ClN3O10	692.196	13	2	156.47	4	7	1	0.381699999999995	2.98477000000001	3.66	2.752	149.8817	178.9425	5.08660000000001	648.669588270411
Cond-010327	NSC154020	154020	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.119594945939	n1n(c2ncnc3n(cc(c23)c1N)C1OC(C(C1O)O)CO)C	InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)	C13H16N6O4	320.304	10	5	142.25	4	2	0	-1.8903	-0.83602	1.79	-1.18	47.5876	81.6588	2.1245	250.137598581112
Cond-010328	NSC154754	154754	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	103.382073718824	Brc1ccc2[nH]c(nc2c1)NC(=O)OC	InChI=1S/C9H8BrN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)	C9H8BrN3O2	270.083	5	2	67.01	2	3	0	0.4867	2.62507	1.79	2.468	26.3886	64.3917	1.5363	174.379462431189
Cond-010329	NSC154890	154890	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.529758345157	O(c1c(OC)cc2c(c1)cc[n+]1c2cc2cc(OC)c(cc2c1C)OC)C.S(=O)(=O)(O)CC(=O)[O-]	InChI=1S/C22H22NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1	C24H25NO9S	503.522	5	0	41.02	4	4	0	-1.2116	5.4952	3.33	3.712	34.9957	109.766	2.7431	319.79005372028
Cond-010330	NSC155595	155595	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.124752639752	N1c2cc(Cl)ccc2NC(CC1c1ccccc1)C#N	InChI=1S/C16H14ClN3/c17-12-6-7-14-16(8-12)20-15(9-13(10-18)19-14)11-4-2-1-3-5-11/h1-8,13,15,19-20H,9H2	C16H14ClN3	283.755	3	2	47.85	3	1	0	-0.5573	4.52618	2.78	4.301	28.0465	82.8814	2.115	253.532515400801
Cond-010331	NSC156215	156215	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9706974883116	O1C2=C(C(=O)c3c(c4NC(=O)/C(=C/C=C\[C@H]([C@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@](/C=C(/C(=C2c3c(c4C)OC(=O)C)OC1)\C)(C)O)O)C)OC(=O)C)C(=O)OC)O)C)O)C)/C)O)C	InChI=1S/C42H53NO15/c1-17-13-12-14-18(2)40(51)43-30-20(4)37(57-24(8)44)26-27(34(30)49)33(48)22(6)36-28(26)35(55-16-56-36)19(3)15-42(10,53)39(50)23(7)38(58-25(9)45)29(41(52)54-11)32(47)21(5)31(17)46/h12-15,17,21,23,29,31-32,38-39,46-47,49-50,53H,16H2,1-11H3,(H,43,51)/b13-12-,18-14+,19-15+/t17-,21-,23+,29-,31-,32-,38-,39-,42-/m1/s1	C42H53NO15	811.868	16	6	244.68	3	6	2	-0.214500000000002	4.48926000000002	4.32	2.621	186.7342	211.2562	6.01330000000002	783.238175790181
Cond-010332	NSC15623	15623	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.5745918480928	O1[Sb](OC(C1C(O)C(O)C(=O)O)CO)(c1ccc(cc1)C)(O)O.[Na+]	InChI=1S/C7H7.C6H10O7.Na.2H2O.Sb/c1-7-5-3-2-4-6-7;7-1-2(8)3(9)4(10)5(11)6(12)13;;;;/h3-6H,1H3;2-5,7,10-11H,1H2,(H,12,13);;2*1H2;/q;-2;+1;;;+4/p-2	C13H19NaO9Sb+	464.034	9	0	35.53	2	5	0	NA	-3.79061	1.68	NA	NA	54.519	2.0472	NA
Cond-010333	NSC157004	157004	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	7.93006811613861	O=c1n(c2c3OCn4c3c(c(cc4=O)C)cc2c(c1)COC(=O)C)C	InChI=1S/C18H16N2O5/c1-9-4-15(23)20-8-25-18-16-13(6-12(9)17(18)20)11(7-24-10(2)21)5-14(22)19(16)3/h4-6H,7-8H2,1-3H3	C18H16N2O5	340.33	7	0	76.15	4	3	0	-0.412499999999998	2.60565	2.67	0.515	66.4099	94.698	2.3595	304.41133147594
Cond-010334	NSC157004	157004	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.9012438850504	O=c1n(c2c3OCn4c3c(c(cc4=O)C)cc2c(c1)COC(=O)C)C	InChI=1S/C18H16N2O5/c1-9-4-15(23)20-8-25-18-16-13(6-12(9)17(18)20)11(7-24-10(2)21)5-14(22)19(16)3/h4-6H,7-8H2,1-3H3	C18H16N2O5	340.33	7	0	76.15	4	3	0	-0.412499999999998	2.60565	2.67	0.515	66.4099	94.698	2.3595	304.41133147594
Cond-010335	NSC157389	157389	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.5755826954126	n1ccc(cc1/C=C/c1ccc(Cl)cc1)NC(CCCN(CC)CC)C	InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+	C22H30ClN3	371.947	3	1	28.16	2	10	1	0.946799999999998	5.94138000000001	3.44	6.226	61.9452	113.9107	3.112	372.301340557602
Cond-010336	NSC157930	157930	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.182717546177	[Cl-].[S+](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C	InChI=1S/C21H21S.ClH/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;/h4-15H,1-3H3;1H/q+1;/p-1	C21H21ClS	340.909	0	0	0	3	3	1	1.926	4.94975	3.66	8.742	16.5063	88.2870000000001	2.5397	298.101884842401
Cond-010337	NSC159935	159935	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.009935659749	O=c1[nH]c(=O)c(c([nH]1)C)/C=C/C(=O)OCC	InChI=1S/C10H12N2O4/c1-3-16-8(13)5-4-7-6(2)11-10(15)12-9(7)14/h4-5H,3H2,1-2H3,(H2,11,12,14,15)/b5-4+	C10H12N2O4	224.213	6	2	84.5	1	4	0	0.136399999999999	0.30537	1.9	-0.09	55.5685	57.8504	1.6284	213.131979973245
Cond-010338	NSC1620	1620	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	101.652319644936	n1c(c2c(nc1)[nH]nc2)NCc1occc1	InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-5-14-15-10(8)13-6-12-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	C10H9N5O	215.211	6	2	79.63	3	3	0	-0.9833	1.12259	1.9	0.953	12.9313	60.8647	1.4915	159.702204393662
Cond-010339	NSC163088	163088	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.2670700261586	[Cl-].[n+]12c(c3cc4OCOc4cc3CC1)cc1ccc(c(c1c2)OC)OC	InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1	C20H18ClNO4	371.814	5	0	40.8	5	2	0	-1.583	4.14628	3.11	2.896	31.2677	97.516	2.3957	286.378084468546
Cond-010340	NSC163443	163443	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	53.7254111398473	n1ccc2c(c3n(c4c(c3c(c2c1)C)cccc4)CCOC(=O)c1ccccc1)C	InChI=1S/C26H22N2O2/c1-17-22-16-27-13-12-20(22)18(2)25-24(17)21-10-6-7-11-23(21)28(25)14-15-30-26(29)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3	C26H22N2O2	394.465	4	0	44.12	5	5	1	1.2293	5.68403000000001	3.88	6.954	29.6183	123.078	3.03000000000001	349.906234877191
Cond-010341	NSC163443	163443	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	11.059596180697	n1ccc2c(c3n(c4c(c3c(c2c1)C)cccc4)CCOC(=O)c1ccccc1)C	InChI=1S/C26H22N2O2/c1-17-22-16-27-13-12-20(22)18(2)25-24(17)21-10-6-7-11-23(21)28(25)14-15-30-26(29)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3	C26H22N2O2	394.465	4	0	44.12	5	5	1	1.2293	5.68403000000001	3.88	6.954	29.6183	123.078	3.03000000000001	349.906234877191
Cond-010342	NSC163501	163501	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	90.3079436370603	ClC1=NO[C@H]([C@H](N)C(=O)O)C1	InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1	C5H7ClN2O3	178.574	5	3	84.91	1	2	0	-0.7962	0.12308	1.35	-2.381	36.6653	43.7902	1.1166	140.982274016183
Cond-010343	NSC164909	164909	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.660919945899	[Sn](Cc1ccccc1)(Cc1ccccc1)(OC(=O)C)Cc1ccccc1	InChI=1S/3C7H7.C2H4O2.Sn/c3*1-7-5-3-2-4-6-7;1-2(3)4;/h3*2-6H,1H2;1H3,(H,3,4);/q;;;;+1/p-1	C23H24O2Sn	451.136	2	0	26.3	3	8	1	0.1726	5.67019000000001	3.66	10.386	26.0183	108.14	3.0818	NA
Cond-010344	NSC164914	164914	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	Clc1cc(c(Cl)cc1Cl)O[Sn-](CCCC)(CCCC)CCCC	InChI=1S/C6H3Cl3O.3C4H9.Sn/c7-3-1-5(9)6(10)2-4(3)8;3*1-3-4-2;/h1-2,10H;3*1,3-4H2,2H3;/p-1	C18H29Cl3OSn-	486.482	1	0	9.23	1	11	1	NA	2.01395	2.89	NA	NA	76.826	2.7547	NA
Cond-010345	NSC165563	165563	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	O=C1C[C@@]2([C@H]3[C@H]([C@@H]([C@]4(OC[C@@]53[C@H]4[C@H](C(=O)O[C@@H]5C[C@H]2C(=C1O)C)OC(=O)/C=C(/C(C)C)\C)C(=O)OC)O)O)C	InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1	C28H36O11	548.579	11	3	165.89	5	6	1	-0.462900000000004	1.23937	3.33	1.867	133.0736	134.3504	3.8985	511.935476222442
Cond-010346	NSC165897	165897	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.588694249662	N1(c2ccc(cc2C=CC1C#N)OC)C(=O)SCC	InChI=1S/C14H14N2O2S/c1-3-19-14(17)16-11(9-15)5-4-10-8-12(18-2)6-7-13(10)16/h4-8,11H,3H2,1-2H3	C14H14N2O2S	274.338	4	0	78.63	2	4	0	1.1205	3.17718	2.45	2.217	52.3824	77.892	2.0435	254.715113030789
Cond-010347	NSC166381	166381	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.274985532071	O=c1c2c(ccc(c2sc2c1cccc2)CO)NCCN1CCN(CC1)C	InChI=1S/C21H25N3O2S/c1-23-10-12-24(13-11-23)9-8-22-17-7-6-15(14-25)21-19(17)20(26)16-4-2-3-5-18(16)27-21/h2-7,22,25H,8-14H2,1H3	C21H25N3O2S	383.507	5	2	81.11	4	5	0	-0.344000000000001	2.25058	3.11	1.881	63.4822	107.2155	2.9124	351.170848218424
Cond-010348	NSC166454	166454	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	75.1768916289164	c1ccc2c(c1)[n+](c(cc2N)C)CCCCCCCCCC[n+]1c(cc(c2c1cccc2)N)C.[Cl-]	InChI=1S/C30H38N4.ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;1H/p+1	C30H40ClN4+	492.118	4	4	59.8	4	11	2	-5.7894	9.11831	4.32	8.742	52.6264	148.2288	3.9134	454.66907519907
Cond-010349	NSC166454	166454	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	7.70512695986578	c1ccc2c(c1)[n+](c(cc2N)C)CCCCCCCCCC[n+]1c(cc(c2c1cccc2)N)C.[Cl-]	InChI=1S/C30H38N4.ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;1H/p+1	C30H40ClN4+	492.118	4	4	59.8	4	11	2	-5.7894	9.11831	4.32	8.742	52.6264	148.2288	3.9134	454.66907519907
Cond-010350	NSC166464	166464	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.549665331773	ClCC(=O)Nc1ccc(cc1)SC	InChI=1S/C9H10ClNOS/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)	C9H10ClNOS	215.7	2	1	54.4	1	4	0	0.6006	3.41978	2.01	2.646	31.1093	61.0587	1.5405	183.925105566361
Cond-010351	NSC167410	167410	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.599330959595	O1C(Oc2c(oc3c(c2=O)cc(O)cc3O)c2cc(O)c(O)cc2)C(C(O)C(O)C1O)C	InChI=1S/C21H20O11/c1-7-14(26)16(28)20(29)32-21(7)31-19-15(27)10-5-9(22)6-13(25)18(10)30-17(19)8-2-3-11(23)12(24)4-8/h2-7,14,16,20-26,28-29H,1H3	C21H20O11	448.377	11	7	186.37	4	3	1	-4.077	0.788570000000004	2.56	0.681	58.8156	108.5846	2.9348	376.147125140574
Cond-010352	NSC167780	167780	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C	InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)	C23H35Cl2N3O4	488.448	7	2	87.74	1	17	1	1.1268	3.34569	3	4.834	99.7982	132.6654	3.7617	465.862217157747
Cond-010353	NSC168221	168221	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.120861684108	N1(c2ccncc2Sc2c1cccc2)CCOC(=O)C	InChI=1S/C15H14N2O2S/c1-11(18)19-9-8-17-12-4-2-3-5-14(12)20-15-10-16-7-6-13(15)17/h2-7,10H,8-9H2,1H3	C15H14N2O2S	286.349	4	0	67.73	3	4	0	0.5458	3.44147	2.56	2.785	31.832	77.76	2.0758	248.754638955856
Cond-010354	NSC168415	168415	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	8.23893584396695	o1c2cc(c(cc2nc1C=C(C(F)(F)F)C(F)(F)F)C)C	InChI=1S/C13H9F6NO/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-5H,1-2H3	C13H9F6NO	309.207	2	0	26.03	2	3	0	3.5983	4.61432	2.01	4.667	34.591	61.355	1.7728	229.901387942033
Cond-010355	NSC168415	168415	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.8227973542605	o1c2cc(c(cc2nc1C=C(C(F)(F)F)C(F)(F)F)C)C	InChI=1S/C13H9F6NO/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-5H,1-2H3	C13H9F6NO	309.207	2	0	26.03	2	3	0	3.5983	4.61432	2.01	4.667	34.591	61.355	1.7728	229.901387942033
Cond-010356	NSC168597	168597	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.96026456981217	CCCC[Pb](CCCC)(Cl)CCCC	InChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1	C12H27ClPb	413.996	0	0	0	0	9	0	NA	1.73963	2.56	NA	NA	47.203	2.2768	NA
Cond-010357	NSC169543	169543	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	48.4457462559777	s1c(ccc1N(=O)=O)/C=N/NC(=S)NC	InChI=1S/C7H8N4O2S2/c1-8-7(14)10-9-4-5-2-3-6(15-5)11(12)13/h2-4H,1H3,(H2,8,10,14)/b9-4+	C7H8N4O2S2	244.294	6	2	139.89	1	5	0	1.5902	1.50499	1.35	2.737	42.8647	66.3434	1.6149	191.775141226056
Cond-010358	NSC169600	169600	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	53.4144658104355	BrC1C(=O)c2ccc(cc2C2(CCCC(C12)(C)C(=O)OC)C)OC	InChI=1S/C19H23BrO4/c1-18-8-5-9-19(2,17(22)24-4)16(18)14(20)15(21)12-7-6-11(23-3)10-13(12)18/h6-7,10,14,16H,5,8-9H2,1-4H3	C19H23BrO4	395.288	4	0	52.6	3	3	0	0.6776	4.12599	3	4.066	69.2394	98.0985000000001	2.6547	330.473022765679
Cond-010359	NSC169676	169676	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(CC1)CCCN1c2cc(ccc2Sc2c1cccc2)C(F)(F)F)CCNCCO.Cl	InChI=1S/C24H31F3N4OS.ClH/c25-24(26,27)19-6-7-23-21(18-19)31(20-4-1-2-5-22(20)33-23)11-3-10-29-13-15-30(16-14-29)12-8-28-9-17-32;/h1-2,4-7,18,28,32H,3,8-17H2;1H	C24H32ClF3N4OS	517.05	5	2	67.28	4	10	0	0.675600000000002	4.08369	3.11	4.023	78.8203	126.1135	3.4723	426.10447085535
Cond-010360	NSC169774	169774	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.7845352087921	Brc1c2C[C@H]3N(C[C@@H](C=C3c3cccc(c23)[nH]1)C(=O)N[C@@]1(O[C@@]2(N(C1=O)[C@H](C(=O)N1CCC[C@@H]21)CC(C)C)O)C(C)C)C.CS(=O)(=O)O	InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1	C33H44BrN5O8S	750.7	10	3	118.21	7	6	0	-0.488500000000002	2.76208000000001	3.77	3.492	128.5241	166.7715	4.4807	550.859639737741
Cond-010361	NSC169779	169779	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.72125494309	O=C1CN(CC(=O)N1)C[C@H](N1CC(=O)NC(=O)C1)C	InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1	C11H16N4O4	268.269	8	2	98.82	2	3	0	-2.2849	-2.47441	1.79	-2.616	62.8188	67.0174	1.9033	242.701485015445
Cond-010362	NSC170984	170984	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	55.4403940348463	c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F	InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	C28H29F2N3O	461.546	4	1	35.58	5	7	1	-0.409999999999999	6.57478000000001	3.88	7.805	49.0864	133.4487	3.4743	425.912772738743
Cond-010363	NSC172924	172924	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	O=C1CC2(C3C(C(C4(OCC53C4C(C(=O)OC5CC2C(=C1O)C)OC(=O)C=C(C)C)C(=O)OC)O)O)C	InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3	C26H32O11	520.526	11	3	165.89	5	5	1	-0.393800000000003	0.603270000000001	3.11	0.899	124.3079	125.1864	3.6167	477.343506970708
Cond-010364	NSC172946	172946	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6329533021537	O=c1c(ccc2c3c(c(c(cc3CC[C@@H](c2c1)NC(=O)C)O)OC)OC)OC	InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1	C21H23NO6	385.41	7	2	94.09	3	5	0	-1.3217	2.18666	3	0.764	81.667	104.9365	2.8497	366.449210546735
Cond-010365	NSC173046	173046	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	[Pb](OC(=O)C)(OC(=O)C)(c1ccccc1)c1ccccc1	InChI=1S/2C6H5.2C2H4O2.Pb/c2*1-2-4-6-5-3-1;2*1-2(3)4;/h2*1-5H;2*1H3,(H,3,4);/q;;;;+2/p-2	C16H16O4Pb	479.496	4	0	52.6	2	6	0	NA	-1.03043	2.67	NA	NA	62.425	1.67	NA
Cond-010366	NSC173904	173904	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.645695792824	ClCC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	InChI=1S/C24H29ClN2O4/c1-17(2)13-21(27-24(30)31-16-19-11-7-4-8-12-19)23(29)26-20(22(28)15-25)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,29)(H,27,30)	C24H29ClN2O4	444.951	6	2	84.5	2	14	2	0.148199999999999	3.12139	3.33	7.597	66.7007	122.9074	3.4428	425.784539001814
Cond-010367	NSC173905	173905	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.042449256345	ClCC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C)CC(C)C	InChI=1S/C18H25ClN2O3/c1-12(2)9-16(20-13(3)22)18(24)21-15(17(23)11-19)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,20,22)(H,21,24)	C18H25ClN2O3	352.856	5	2	75.27	1	11	1	-0.404300000000002	2.30649	2.78	4.518	66.0616	98.1064000000001	2.7763	344.384239349252
Cond-010368	NSC174121	174121	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	CN(Cc1cnc2c(c(N)nc(N)n2)n1)c1ccc(c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)O	InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	C24H24N8O5	504.498	13	7	210.54	4	10	1	-2.8974	2.53156	2.67	-0.918	54.4148	141.3776	3.5887	428.285506976141
Cond-010369	NSC174163	174163	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	42.6093937255284	[Hg](Cl)c1cc2ccccc2cc1	InChI=1S/C10H7.ClH.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-3,5-8H;1H;/q;;+1/p-1	C10H7ClHg	363.206	0	0	0	2	1	0	0.7443	2.7014	2.34	4.979	5.6156	49.435	1.1422	NA
Cond-010370	NSC174163	174163	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.40906025705359	[Hg](Cl)c1cc2ccccc2cc1	InChI=1S/C10H7.ClH.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-3,5-8H;1H;/q;;+1/p-1	C10H7ClHg	363.206	0	0	0	2	1	0	0.7443	2.7014	2.34	4.979	5.6156	49.435	1.1422	NA
Cond-010371	NSC174176	174176	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	45.6372444869266	[Hg](c1c(c(c(c(c1C)C)C)C)C)OC(=O)C	InChI=1S/C11H15.C2H4O2.Hg/c1-7-6-8(2)10(4)11(5)9(7)3;1-2(3)4;/h1-5H3;1H3,(H,3,4);/q;;+1/p-1	C13H18HgO2	406.871	2	0	26.3	1	3	0	3.1288	1.38499	2.56	4.057	39.2266	62.794	1.7115	NA
Cond-010372	NSC174176	174176	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.64238395558278	[Hg](c1c(c(c(c(c1C)C)C)C)C)OC(=O)C	InChI=1S/C11H15.C2H4O2.Hg/c1-7-6-8(2)10(4)11(5)9(7)3;1-2(3)4;/h1-5H3;1H3,(H,3,4);/q;;+1/p-1	C13H18HgO2	406.871	2	0	26.3	1	3	0	3.1288	1.38499	2.56	4.057	39.2266	62.794	1.7115	NA
Cond-010373	NSC174280	174280	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.764897539027	[Na+].C(CC)C(=O)O	InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1	C4H8NaO2+	111.095	2	1	37.3	0	2	0	-0.4417	1.10499	1.68	0.742	20.5788	25.7868	0.7466	92.684391904589
Cond-010374	NSC175274	175274	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.8338178225695	N1c2ccccc2/C(=C/C(=N/N)/c2ccccc2)/C1=O	InChI=1S/C16H13N3O/c17-19-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)18-16(13)20/h1-10H,17H2,(H,18,20)/b13-10-,19-15-	C16H13N3O	263.294	4	3	67.48	3	2	0	-1.1704	3.03637	2.78	4.106	28.3521	82.6391	2.0083	244.475215630128
Cond-010375	NSC175296	175296	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.023391240983	O(c1cc(cc(c1)O)O)C(=O)/C=C/c1ccc(cc1)OC	InChI=1S/C16H14O5/c1-20-14-5-2-11(3-6-14)4-7-16(19)21-15-9-12(17)8-13(18)10-15/h2-10,17-18H,1H3/b7-4+	C16H14O5	286.279	5	2	75.99	2	5	0	-0.7024	3.27717	2.67	3.132	28.9802	81.6766000000001	2.0953	261.638759209473
Cond-010376	NSC175493	175493	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	11.403508831383	C(#[O])[Fe]12345(C6C3=C2C1=C46)SC(=[S]5)N(C)C	InChI=1S/C5H.C3H7NS2.CO.Fe/c1-2-4-5-3-1;1-4(2)3(5)6;1-2;/h1H;1-2H3,(H,5,6);;/q;;;+1/p-1	C9H7FeNOS2	265.133	2	0	28.54	6	1	0	NA	0.72954	1.9	NA	NA	45.4955	0.9515	NA
Cond-010377	NSC175634	175634	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.453567224367	N1c2ccccc2C(=O)NC1c1sc(cc1)C	InChI=1S/C13H12N2OS/c1-8-6-7-11(17-8)12-14-10-5-3-2-4-9(10)13(16)15-12/h2-7,12,14H,1H3,(H,15,16)	C13H12N2OS	244.312	3	2	69.37	3	1	0	0.1071	2.3699	2.45	3.068	27.445	67.5354	1.7783	208.008901704361
Cond-010378	NSC175636	175636	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	81.0557158365913	Clc1ccc2NC(NC(=O)c2c1)c1c2c(cccc2)ccc1	InChI=1S/C18H13ClN2O/c19-12-8-9-16-15(10-12)18(22)21-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,(H,21,22)	C18H13ClN2O	308.762	3	2	41.13	4	1	1	-0.1787	4.57468	3	6.027	19.5346	91.7164	2.2041	260.025033743328
Cond-010379	NSC176324	176324	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.559601109941	ClC1=NO[C@H]([C@H](N)C(=O)O)[C@H]1O	InChI=1S/C5H7ClN2O4/c6-4-2(9)3(12-8-4)1(7)5(10)11/h1-3,9H,7H2,(H,10,11)/t1-,2+,3+/m0/s1	C5H7ClN2O4	194.573	6	4	105.14	1	2	0	-1.4484	-0.90612	1.24	-2.716	38.0035	45.18	1.1753	149.772500716745
Cond-010380	NSC176655	176655	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.694035783296	o1c2ccccc2nc1/C=C\c1cc2OCOc2cc1	InChI=1S/C16H11NO3/c1-2-4-13-12(3-1)17-16(20-13)8-6-11-5-7-14-15(9-11)19-10-18-14/h1-9H,10H2/b8-6-	C16H11NO3	265.263	4	0	44.49	4	2	0	0.0110000000000001	4.26736	2.78	3.924	19.4098	78.913	1.8605	219.442148614917
Cond-010381	NSC1771	1771	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.53311243661924	N(C)(C)C(=S)SSC(=S)N(C)C	InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	C6H12N2S4	240.433	2	0	121.26	0	5	0	3.1558	2.0608	1.46	1.548	69.2408	67.752	1.7216	203.089065701133
Cond-010382	NSC1771	1771	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	81.9632408336391	N(C)(C)C(=S)SSC(=S)N(C)C	InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	C6H12N2S4	240.433	2	0	121.26	0	5	0	3.1558	2.0608	1.46	1.548	69.2408	67.752	1.7216	203.089065701133
Cond-010383	NSC177365	177365	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	*.n1c2c(c(c3ccccc13)Nc1ccc(cc1)NS(=O)(=O)CCCNC(=N)N)ccc(c2)N(=O)=O.Cl	InChI=1S/C23H23N7O4S.ClH/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22;/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26);1H	C23H24ClN7O4S	529.999	11	6	184.51	4	10	0	-1.4311	6.16164	2.67	4.878	41.8673	141.8822	3.4958	412.348018199947
Cond-010384	NSC178249	178249	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.531095888975	O1[C@@H]2Oc3c(c4oc5c(ccc(c5c(=O)c4c(c3)OC)O)OC)[C@@H]2C=C1	InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1	C19H14O7	354.31	7	1	83.45	5	2	0	-1.5171	3.98826	2.78	1.278	42.9401	95.4148	2.3096	294.037790385796
Cond-010385	NSC180973	180973	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	O(c1ccc(/C(=C(/CC)\c2ccccc2)/c2ccccc2)cc1)CCN(C)C.C(CC(=O)O)(CC(=O)O)(O)C(=O)O	InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H37NO8	563.638	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-010386	NSC181486	181486	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.5002489126529	N1C2Cc3cc(Oc4ccc(cc4)CC4N(CCc5c4c4Oc6cc2c(cc6Oc4c(c5)OC)CC1)C)c(cc3)OC	InChI=1S/C35H34N2O5/c1-37-13-11-23-18-32(39-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38-2)14-26-25-19-31(42-35)30(41-34)17-22(25)10-12-36-26/h4-9,16-19,26-27,36H,10-15H2,1-3H3	C35H34N2O5	562.655	7	1	61.42	7	2	1	-0.3124	7.78358	4.54	5.839	66.2382	164.9177	4.1484	505.771400509275
Cond-010387	NSC18268	18268	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.731868356072	O=C1N(CC(=O)N(C(C(C)C)C(=O)OC(C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NCC(=O)N6C(CCC6)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC5C)C)C)ccc(c4oc3c(c(=O)c2N)C)C)C(=O)NCC(=O)N2C1CCC2)C)C)C.C(CC)C.C(CC)C.C(CC)C.C(C)C.C(C)C.C(C)C	InChI=1S/C56H74N12O16.3C4H10.3C3H8/c1-25(2)44-55(80)82-29(7)40(51(76)58-21-34(69)67-19-13-15-32(67)53(78)63(9)23-36(71)65(44)11)61-49(74)31-18-17-27(5)47-42(31)60-43-38(39(57)46(73)28(6)48(43)84-47)50(75)62-41-30(8)83-56(81)45(26(3)4)66(12)37(72)24-64(10)54(79)33-16-14-20-68(33)35(70)22-59-52(41)77;3*1-3-4-2;3*1-3-2/h17-18,25-26,29-30,32-33,40-41,44-45H,13-16,19-24,57H2,1-12H3,(H,58,76)(H,59,77)(H,61,74)(H,62,75);3*3-4H2,1-2H3;3*3H2,1-2H3	C77H128N12O16	1477.91	28	6	355.54	7	8	1	-8.19060000000001	-1.64051999999999	4.54	0.902	261.8165	300.418699999999	8.55860000000003	1102.24842123551
Cond-010388	NSC18298	18298	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.974067715804	c1(c2C=C3C(=C(C4=[N+]3[Cu]35=n2c(c1)C=C1[N+]5=C(C=C1C)C=c1n=3c(=C4)c(c1C)CCC(=O)O)CCC(=O)O)C)C	InChI=1S/C30H30N4O4.Cu/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+4/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;	C30H28CuN4O4++	572.114	8	1	60.39	8	6	0	NA	2.72536	3.77	NA	NA	119.1473	3.2215	NA
Cond-010389	NSC182986	182986	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.614213735701	N1(C2=C(C(=O)C(=C(C2=O)NC(=O)OCC)N2CC2)NC(=O)OCC)CC1	InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)	C16H20N4O6	364.353	10	2	116.82	3	10	0	-0.769	-0.86483	2.12	1.624	90.8514	89.8414	2.5306	329.132485443502
Cond-010390	NSC183359	183359	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	34.5041673145195	S1[Sn](N(CC1)S(=O)(=O)c1ccc(cc1)C)(CCCC)CCCC	InChI=1S/C9H12NO2S2.2C4H9.Sn/c1-8-2-4-9(5-3-8)14(11,12)10-6-7-13;2*1-3-4-2;/h2-5,13H,6-7H2,1H3;2*1,3-4H2,2H3;/q-1;;;+2/p-1	C17H29NO2S2Sn	462.249	3	0	71.06	2	8	1	-1.7793	5.47050000000001	2.67	6.209	63.1542	94.801	3.0728	NA
Cond-010391	NSC184398	184398	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O1C(c2ccc3C(=O)C4=C(C(=O)c3c2O)C=CC2(C4(C(=O)CC(C2)(O)C)O)O)CC(C(C1C)O)O	InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3	C25H26O10	486.468	10	6	181.82	5	1	1	-3.9192	-0.309629999999999	3.11	-1.579	95.6997	122.0055	3.3311	435.08437824268
Cond-010392	NSC184403	184403	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	n1ccccc1.[Cl-].[n+]1(c2c(ccc3cc(c(cc23)O)O)c2cc(c(cc2c1)O)O)C.Cl	InChI=1S/C18H13NO4.C5H5N.2ClH/c1-19-8-10-5-15(21)16(22)6-12(10)11-3-2-9-4-14(20)17(23)7-13(9)18(11)19;1-2-4-6-5-3-1;;/h2-8H,1H3,(H3,20,21,22,23);1-5H;2*1H	C23H20Cl2N2O4	459.322	5	4	84.8	4	0	0	-3.1828	4.36398000000001	2.89	2.225	15.9551	92.4574	2.1795	250.606115216812
Cond-010393	NSC185056	185056	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.719305824962	O(c1ccccc1Cl)CC(=O)Oc1cnc(cc1)/C=N/NC(=S)N	InChI=1S/C15H13ClN4O3S/c16-12-3-1-2-4-13(12)22-9-14(21)23-11-6-5-10(18-8-11)7-19-20-15(17)24/h1-8H,9H2,(H3,17,20,24)/b19-7+	C15H13ClN4O3S	364.807	7	3	130.92	2	8	0	0.5345	3.52716	2.12	3.743	43.5729	102.7401	2.4791	301.832995142384
Cond-010394	NSC185065	185065	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.9746627970768	n1cc(ccc1/C=N/NC(=S)Nc1cnccc1)O	InChI=1S/C12H11N5OS/c18-11-4-3-9(14-8-11)7-15-17-12(19)16-10-2-1-5-13-6-10/h1-8,18H,(H2,16,17,19)/b15-7+	C12H11N5OS	273.314	6	3	114.52	2	5	0	-0.2231	2.87857	2.01	2.492	28.0491	80.7924	1.9594	230.786739002195
Cond-010395	NSC186	186	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2668570441736	O=C1C(=C(C2=CO[C@@H]([C@H](C2=C1C)C)C)O)C(=O)O	InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1	C13H14O5	250.247	5	2	83.83	2	1	0	-0.344500000000002	1.73346	2.34	1.62	64.441	65.2246	1.8016	239.460181434272
Cond-010396	NSC18804	18804	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.500000414469	O=c1c(cc(ccc1)C(C)C)O	InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	C10H12O2	164.201	2	1	37.3	1	1	0	0.847099999999999	2.16206	2.34	2.349	50.8799	50.2128	1.3544	176.194464856589
Cond-010397	NSC18805	18805	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.986752887875	c1cc(ccc(c1=O)O)C(C)C	InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)	C10H12O2	164.201	2	1	37.3	1	1	0	0.847099999999999	2.16206	2.34	2.349	50.8799	50.2128	1.3544	176.194464856589
Cond-010398	NSC18891	18891	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	69.3987057776601	N1(c2c3ccccc3ccc2Sc2c1cccc2)CCCN(C)C	InChI=1S/C21H22N2S/c1-22(2)14-7-15-23-18-10-5-6-11-19(18)24-20-13-12-16-8-3-4-9-17(16)21(20)23/h3-6,8-13H,7,14-15H2,1-2H3	C21H22N2S	334.478	2	0	31.78	4	4	1	0.5568	5.92129	3.44	6.026	37.3189	105.114	2.6522	309.057175908335
Cond-010399	NSC18938	18938	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.2913854278174	C(=O)(O)C(O)CCCCCCCCCCCC	InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)	C14H28O3	244.37	3	2	57.53	0	12	2	-3.9739	3.97679	2.67	5.457	51.033	73.3466000000001	2.2143	274.434464863817
Cond-010400	NSC1906	1906	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	59.7947211376598	C1CNCCC1.C1CCCCN1C(=S)S	InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2	C11H22N2S2	246.436	1	0	74.13	1	1	0	0.4529	1.687	1.79	1.922	42.2843	47.008	1.2292	145.354257377767
Cond-010401	NSC191384	191384	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.400778600965	c1(c(c(cc(c1)C)C)NC(=O)/C=C/c1ccccc1)C	InChI=1S/C18H19NO/c1-13-11-14(2)18(15(3)12-13)19-17(20)10-9-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,19,20)/b10-9+	C18H19NO	265.35	2	1	29.1	2	4	1	1.6523	4.12854	3.22	6.784	34.1913	84.1577	2.2421	272.066581867128
Cond-010402	NSC191389	191389	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9706696206022	c1c(cccc1)/C=C/C(=O)Nc1ccc(cc1C)C	InChI=1S/C17H17NO/c1-13-8-10-16(14(2)12-13)18-17(19)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,18,19)/b11-9+	C17H17NO	251.323	2	1	29.1	2	4	1	1.0103	4.10052	3.11	6.672	28.6892	80.5177	2.1012	254.770597241262
Cond-010403	NSC191392	191392	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.9395725467741	Clc1c(c(ccc1)NC(=O)/C=C/c1ccccc1)C	InChI=1S/C16H14ClNO/c1-12-14(17)8-5-9-15(12)18-16(19)11-10-13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)/b11-10+	C16H14ClNO	271.741	2	1	29.1	2	4	1	1.1126	4.7259	2.89	6.234	28.8027	81.8877	2.0827	252.685680385828
Cond-010404	NSC191393	191393	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.196887816427	Clc1c(c(ccc1)C)NC(=O)/C=C/c1ccccc1	InChI=1S/C16H14ClNO/c1-12-6-5-9-14(17)16(12)18-15(19)11-10-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)/b11-10+	C16H14ClNO	271.741	2	1	29.1	2	4	1	1.1126	4.7259	2.89	6.234	28.8027	81.8877	2.0827	252.685680385828
Cond-010405	NSC192965	192965	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	85.726890777907	[Ge]1(CCC2(CN(CC2)CCCN(C)C)CC1)(CC)CC.Cl	InChI=1S/C17H36GeN2.ClH/c1-5-18(6-2)11-8-17(9-12-18)10-15-20(16-17)14-7-13-19(3)4;/h5-16H2,1-4H3;1H	C17H37ClGeN2	377.582	2	0	6.48	2	6	0	0.7582	4.37469000000001	3	3.62	84.1679	89.7140000000001	2.7739	NA
Cond-010406	NSC196524	196524	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	79.649005232064	O=C1c2cccc(c2C(=O)c2c1c(c1C(C(CC(c1c2O)O)(O)CC)C(=O)OC)O)O	InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3	C22H20O9	428.389	9	5	161.59	4	3	0	-3.279	2.10228	2.89	-0.542	58.088	111.8874	2.9153	373.226197664518
Cond-010407	NSC19857	19857	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.92223717532	c1ccc(cc1)C(c1ccc(cc1)OCCN(CC)CC)(O)Cc1ccc(cc1)OC	InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3	C27H33NO3	419.556	4	1	41.93	3	11	2	0.1119	4.32060000000001	3.99	7.159	50.8605	124.1528	3.476	419.417979499453
Cond-010408	NSC19990	19990	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O=C1Nc2c(c(c3C4=C(OCOC4=C(C(=O)c3c2O)C)/C(=C/C(C(C(C(C(C(C(C(C(/C=C\C=C\1/C)C)O)C)O)C(=O)OC)O)C)O)(O)C)/C)OC(=O)C)C	InChI=1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+	C40H51NO14	769.831	15	7	238.61	3	4	2	-0.593600000000002	3.91846000000001	4.21	2.31	177.5827	201.709	5.71580000000001	742.492438538687
Cond-010409	NSC19994	19994	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.156878250784	c1(=O)c2c(nc([nH]1)N)n(cn2)C1C(C(C(O1)CO)O)O	InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)	C10H13N5O5	283.241	10	6	155.22	3	2	0	-2.1222	-2.83092	1.46	-2.44	46.4355	68.3505	1.8123	221.936028597506
Cond-010410	NSC202000	202000	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.329287782024	O=C1OC(=N/C/1=C\c1ccc(Cl)c(Cl)c1)c1occc1	InChI=1S/C14H7Cl2NO3/c15-9-4-3-8(6-10(9)16)7-11-14(18)20-13(17-11)12-2-1-5-19-12/h1-7H/b11-7-	C14H7Cl2NO3	308.116	4	0	51.8	3	2	0	1.2991	3.98208	2.34	3.705	34.9869	77.957	1.9321	238.52877360485
Cond-010411	NSC204985	204985	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.834060762292	O1[C@@H]2Oc3c(c4oc5cccc(c5c(=O)c4c(c3)OC)O)[C@@H]2C=C1	InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1	C18H12O6	324.284	6	1	74.22	5	1	0	-1.4653	3.97966	2.78	1.722	35.6243	88.8628	2.11	267.951579059367
Cond-010412	NSC20514	20514	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.521611416628	N1(CCN(CC1)Cc1c(c2ncccc2c(c1)COCCCC)O)C	InChI=1S/C20H29N3O2/c1-3-4-12-25-15-17-13-16(14-23-10-8-22(2)9-11-23)20(24)19-18(17)6-5-7-21-19/h5-7,13,24H,3-4,8-12,14-15H2,1-2H3	C20H29N3O2	343.463	5	1	48.83	3	7	0	-0.9292	2.7508	3.11	1.888	60.3837	101.919	2.8026	332.995215637358
Cond-010413	NSC208734	208734	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	76.4523973415975	O=C1CCC(OC1C)OC1C(CC(OC1C)OC1C(CC(OC1C)O[C@H]1C[C@]([C@@H](c2cc3C(=O)c4cccc(c4C(=O)c3c(c12)O)O)C(=O)OC)(O)CC)N(C)C)O	InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18?,19?,20?,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1	C42H53NO15	811.868	16	4	217.05	7	10	1	-4.5275	3.84638000000001	4.32	1.171	149.0982	208.7966	5.81650000000002	743.178175790182
Cond-010414	NSC208734	208734	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.67591439660145	O=C1CCC(OC1C)OC1C(CC(OC1C)OC1C(CC(OC1C)O[C@H]1C[C@]([C@@H](c2cc3C(=O)c4cccc(c4C(=O)c3c(c12)O)O)C(=O)OC)(O)CC)N(C)C)O	InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18?,19?,20?,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1	C42H53NO15	811.868	16	4	217.05	7	10	1	-4.5275	3.84638000000001	4.32	1.171	149.0982	208.7966	5.81650000000002	743.178175790182
Cond-010415	NSC208913	208913	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8178366658881	C1C2CC3CC1CC(C3)(C2)N(C(=O)NC(C(=O)OCC)C)C	InChI=1S/C17H28N2O3/c1-4-22-15(20)11(2)18-16(21)19(3)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,4-10H2,1-3H3,(H,18,21)	C17H28N2O3	308.416	5	1	58.64	0	7	0	-1.1984	2.14619	2.78	3.022	81.0468	86.1467000000001	2.4678	308.610104354551
Cond-010416	NSC208914	208914	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.128655214235	C1C2CC3CC1CC(C3)(C2)NC(=O)NCC(=O)OCC	InChI=1S/C15H24N2O3/c1-2-20-13(18)9-16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H2,16,17,19)	C15H24N2O3	280.363	5	2	67.43	0	7	0	-1.3967	1.41549	2.56	2.354	70.6906	76.9244	2.186	274.018135102817
Cond-010417	NSC211489	211489	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	98.6217052265408	O1C(=CC(c2c1c1ccccc1oc2=O)c1cc(c(cc1)OC)OC)c1ccc2OCOc2c1	InChI=1S/C27H20O7/c1-29-20-9-7-15(11-23(20)30-2)18-13-22(16-8-10-21-24(12-16)32-14-31-21)33-26-17-5-3-4-6-19(17)34-27(28)25(18)26/h3-13,18H,14H2,1-2H3	C27H20O7	456.443	7	0	72.45	6	4	1	-0.8066	5.78775	3.66	5.407	51.8113	128.152	3.1562	398.60337388873
Cond-010418	NSC211500	211500	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.608516607202	CC(C)c1c2c(cc(=O)o1)C1(C)C3C(C2O)OC(=O)C3(C)C(C2C1O2)O	InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3	C19H22O7	362.374	7	2	105.59	5	1	0	-0.531600000000001	0.53657	2.78	-0.898	88.0635	89.0006	2.4816	326.383625188996
Cond-010419	NSC21548	21548	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.674482197031	O=c1n(cc(c(=O)[nH]1)C)C1OC(C(C1)O)CO	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)	C10H14N2O5	242.229	7	3	99.1	2	2	0	-1.6777	-0.92972	1.79	-1.335	53.0718	58.4783	1.6645	214.838665374606
Cond-010420	NSC215989	215989	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.621829823895	o1c2c(cc(c3ccc(N(=O)=O)cc3)c1=O)cccc2	InChI=1S/C15H9NO4/c17-15-13(9-11-3-1-2-4-14(11)20-15)10-5-7-12(8-6-10)16(18)19/h1-9H	C15H9NO4	267.236	5	0	69.44	3	2	0	0.8412	3.35647	2.56	4.887	19.2802	78.368	1.8439	231.556390689612
Cond-010421	NSC218439	218439	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	71.7184606244334	[Cl-].[n+]1(c2ccc(cc2c(cc1)Nc1ccc(c(c1)N(=O)=O)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)C)N(=O)=O)C	InChI=1S/C29H23N7O5.ClH/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27;/h3-18H,1-2H3,(H,32,37);1H/p+1	C29H25ClN7O5+	587.006	12	3	147.2	5	9	1	-2.8386	8.93194	3.33	6.192	33.2149	167.4371	3.95580000000001	472.602835094108
Cond-010422	NSC2186	2186	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.7646284171385	C1(=O)c2ccccc2C(c2c(cc(c(c2)C(C)C)O)C)(c2cc(c(cc2C)O)C(C)C)O1	InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3	C28H30O4	430.535	4	2	66.76	4	4	1	1.1332	5.82072000000001	4.1	7.934	53.2637	128.893	3.42420000000001	419.514513216114
Cond-010423	NSC219734	219734	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	17.2041969166305	n1c2ccccc2c(c2c1cccc2)NCCCCCCCCNc1c2ccccc2nc2c1cccc2	InChI=1S/C34H34N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5-12,15-22H,1-4,13-14,23-24H2,(H,35,37)(H,36,38)	C34H34N4	498.661	4	2	49.84	6	11	2	-2.5456	10.36447	4.76	10.392	33.494	165.5044	4.0448	464.157802796937
Cond-010424	NSC219734	219734	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	89.9846166841742	n1c2ccccc2c(c2c1cccc2)NCCCCCCCCNc1c2ccccc2nc2c1cccc2	InChI=1S/C34H34N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5-12,15-22H,1-4,13-14,23-24H2,(H,35,37)(H,36,38)	C34H34N4	498.661	4	2	49.84	6	11	2	-2.5456	10.36447	4.76	10.392	33.494	165.5044	4.0448	464.157802796937
Cond-010425	NSC22194	22194	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	65.4056681628229	[C@H]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CCc1c3cccc1)C)O	InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1	C18H24O	256.383	1	1	20.23	4	0	1	-0.00960000000000027	3.9036	3.33	6.664	50.0315	77.0658000000001	2.1401	260.439197761362
Cond-010426	NSC224117	224117	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.5419078947496	O=c1[nH]c(=O)c(c([nH]1)C)/C=C/C(=O)NC(CC(C)C)CO	InChI=1S/C14H21N3O4/c1-8(2)6-10(7-18)16-12(19)5-4-11-9(3)15-14(21)17-13(11)20/h4-5,8,10,18H,6-7H2,1-3H3,(H,16,19)(H2,15,17,20,21)/b5-4+	C14H21N3O4	295.334	7	4	107.53	1	7	0	-0.4306	0.26547	2.23	0.142	76.1221	79.6889	2.2918	293.312678684878
Cond-010427	NSC224124	224124	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.300000660181	c1cc(c2c(c1O)C(=O)C(=C(C2=O)COC(=O)N)COC(=O)N)O	InChI=1S/C14H12N2O8/c15-13(21)23-3-5-6(4-24-14(16)22)12(20)10-8(18)2-1-7(17)9(10)11(5)19/h1-2,17-18H,3-4H2,(H2,15,21)(H2,16,22)	C14H12N2O8	336.254	10	6	179.24	2	6	0	-1.5164	-0.141230000000001	1.9	-2.376	50.7096	81.5326	2.1892	286.310990475756
Cond-010428	NSC224131	224131	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9440205471148	C(C(=O)O)(CC(=O)O)NC(=O)CP(=O)(O)O.[Na+]	InChI=1S/C6H10NO8P.Na/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);/q;+1	C6H10NNaO8P+	278.109	9	5	171.04	0	7	0	-2.1745	-1.13961	1.02	-3.32	45.5932	51.9134	1.599	205.568817574256
Cond-010429	NSC226080	226080	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	6.84246640536162	[C@@H]1([C@@H](C[C@@H](CC1)C[C@H]([C@@H]1CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]2CC[C@H]([C@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)(O2)O)C)OC)\C)C)C)OC)O)\C)C)C)OC)O	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	C51H79NO13	914.172	14	3	195.43	4	6	1	-1.1466	6.11925000000001	5.53	4.321	237.1376	247.300399999999	7.33600000000003	942.767418825058
Cond-010430	NSC22842	22842	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.178865922351	c1(ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O)O	InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H	C15H8O5	268.221	5	2	79.9	4	0	0	-1.1658	3.48727	2.56	1.952	13.04	78.0676	1.7372	208.729857182006
Cond-010431	NSC22992	22992	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4500800417264	c1cccc(c1C(=O)O)C(=O)C(CN(C)C)C.Cl	InChI=1S/C13H17NO3.ClH/c1-9(8-14(2)3)12(15)10-6-4-5-7-11(10)13(16)17;/h4-7,9H,8H2,1-3H3,(H,16,17);1H	C13H18ClNO3	271.74	4	1	57.61	1	5	0	0.0206	1.73359	2.45	1.933	40.923	68.4713000000001	1.8926	234.332946942117
Cond-010432	NSC233872	233872	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9083790615347	O=c1[nH]c(=O)c(c([nH]1)C)/C=C/C(=O)NC(CSC)CO	InChI=1S/C12H17N3O4S/c1-7-9(11(18)15-12(19)13-7)3-4-10(17)14-8(5-16)6-20-2/h3-4,8,16H,5-6H2,1-2H3,(H,14,17)(H2,13,15,18,19)/b4-3+	C12H17N3O4S	299.346	7	4	132.83	1	7	0	-0.5546	-0.41763	1.9	-0.68	75.6049	78.6159	2.1735	277.229733490745
Cond-010433	NSC235082	235082	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.886079537842	[Na+].n1c2c(c(c3ccccc13)Nc1ccc(cc1)C(=O)O)cccc2	InChI=1S/C20H14N2O2.Na/c23-20(24)13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19;/h1-12H,(H,21,22)(H,23,24);/q;+1	C20H14N2NaO2+	337.327	4	2	62.22	4	3	1	-0.6602	5.80347	3.22	5.585	10.5193	100.2385	2.3362	272.02324452359
Cond-010434	NSC236657	236657	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-010435	NSC239375	239375	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.1278345269195	O=C(OC1C(C(OC)/C=C/OC2(Oc3c(c(c4c(c3C2=O)C(=O)C=C(C4=O)NC(=O)/C(=C\C=C\C(C(C(C(C1C)O)C)OC=O)C)/C)O)C)C)C)C	InChI=1S/C38H45NO13/c1-17-11-10-12-18(2)37(47)39-24-15-25(42)27-28(32(24)45)31(44)22(6)35-29(27)36(46)38(8,52-35)50-14-13-26(48-9)19(3)34(51-23(7)41)21(5)30(43)20(4)33(17)49-16-40/h10-17,19-21,26,30,33-34,43-44H,1-9H3,(H,39,47)/b11-10+,14-13+,18-12-	C38H45NO13	723.763	14	3	201.06	3	5	1	-0.659599999999995	4.39536000000001	4.1	2.452	164.0078	189.979	5.33230000000001	696.473783885593
Cond-010436	NSC240419	240419	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cc(c(cc1)/N=N/c1c(cc(cc1)N(CC(Br)C)CC(Br)C)C)C(=O)O	InChI=1S/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)/b24-23+	C20H23Br2N3O2	497.224	5	1	65.26	2	8	1	2.218	6.12221000000001	2.89	7.637	60.8352	120.7528	3.1322	376.009536190891
Cond-010437	NSC24048	24048	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.606309924903	O=C1c2cc(ccc2c2c1cccc2)N(C)CCc1ncccc1.I	InChI=1S/C21H18N2O.HI/c1-23(13-11-15-6-4-5-12-22-15)16-9-10-18-17-7-2-3-8-19(17)21(24)20(18)14-16;/h2-10,12,14H,11,13H2,1H3;1H	C21H19IN2O	442.293	3	0	33.2	4	4	1	-0.424699999999999	3.98869	3.44	5.433	21.5645	100.427	2.4614	294.065461149696
Cond-010438	NSC24113	24113	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.5142467421824	Clc1c2N(c3c(Sc2ccc1)c1ccccc1cc3)CCCN(C)C	InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3	C21H21ClN2S	368.923	2	0	31.78	4	4	1	1.3011	5.48069	3.33	6.122	42.9345	105.352	2.7746	324.268243678769
Cond-010439	NSC24113	24113	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.38974185829236	Clc1c2N(c3c(Sc2ccc1)c1ccccc1cc3)CCCN(C)C	InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3	C21H21ClN2S	368.923	2	0	31.78	4	4	1	1.3011	5.48069	3.33	6.122	42.9345	105.352	2.7746	324.268243678769
Cond-010440	NSC241509	241509	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9771965681456	O=c1[nH]c(c(/C=C/C(=O)NC(CO)CS(=O)CCCC)c(=O)[nH]1)C	InChI=1S/C15H23N3O5S/c1-3-4-7-24(23)9-11(8-19)17-13(20)6-5-12-10(2)16-15(22)18-14(12)21/h5-6,11,19H,3-4,7-9H2,1-2H3,(H,17,20)(H2,16,18,21,22)/b6-5+	C15H23N3O5S	357.425	8	4	143.81	1	10	0	-2.2818	0.63387	2.12	-1.424	87.714	93.1534	2.6549	337.907914068907
Cond-010441	NSC241906	241906	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	52.7739913187608	c1cccc(c1O)Cc1c(cc(c(c1O)C(=O)CCc1ccccc1)OC)O	InChI=1S/C23H22O5/c1-28-21-14-20(26)17(13-16-9-5-6-10-18(16)24)23(27)22(21)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3	C23H22O5	378.418	5	3	86.99	3	7	1	-1.1431	4.05380000000001	3.44	5.656	34.3712	108.5964	2.887	354.181275488141
Cond-010442	NSC241906	241906	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.49599125234348	c1cccc(c1O)Cc1c(cc(c(c1O)C(=O)CCc1ccccc1)OC)O	InChI=1S/C23H22O5/c1-28-21-14-20(26)17(13-16-9-5-6-10-18(16)24)23(27)22(21)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3	C23H22O5	378.418	5	3	86.99	3	7	1	-1.1431	4.05380000000001	3.44	5.656	34.3712	108.5964	2.887	354.181275488141
Cond-010443	NSC243023	243023	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	29.4815754431422	O(C1c2c(C(C(C1)(CC)O)C(=O)OC)cc1c(c2O)C(=O)c2c(C1=O)c(O)ccc2O)C1CC(N(C)C)C(C(O1)C)OC1CC2C(C(O1)C)OC1C(O2)CC(=O)C(O1)C	InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3	C42H51NO16	825.851	17	4	226.28	8	8	1	-4.444	3.56838000000001	4.21	0.196	151.2036	208.4986	5.76660000000002	739.611943789943
Cond-010444	NSC243023	243023	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	7.26399428614967	O(C1c2c(C(C(C1)(CC)O)C(=O)OC)cc1c(c2O)C(=O)c2c(C1=O)c(O)ccc2O)C1CC(N(C)C)C(C(O1)C)OC1CC2C(C(O1)C)OC1C(O2)CC(=O)C(O1)C	InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3	C42H51NO16	825.851	17	4	226.28	8	8	1	-4.444	3.56838000000001	4.21	0.196	151.2036	208.4986	5.76660000000002	739.611943789943
Cond-010445	NSC243928	243928	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	68.0619571250098	n1c2c(c(c3ccccc13)Nc1c(cc(cc1)NS(=O)(=O)CC)OC)cccc2.CS(=O)(=O)O	InChI=1S/C22H21N3O3S.CH4O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22;1-5(2,3)4/h4-14,25H,3H2,1-2H3,(H,23,24);1H3,(H,2,3,4)	C23H25N3O6S2	503.591	6	2	88.7	4	6	1	-1.056	6.42097	3.11	5.216	31.7479	115.5894	2.983	347.547683442452
Cond-010446	NSC245432	245432	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O1C(C(C(C(C1NC(=O)N(N=O)CCCl)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C	InChI=1S/C17H24ClN3O11/c1-8(22)28-7-12-13(29-9(2)23)14(30-10(3)24)15(31-11(4)25)16(32-12)19-17(26)21(20-27)6-5-18/h12-16H,5-7H2,1-4H3,(H,19,26)	C17H24ClN3O11	481.839	14	1	176.2	1	15	2	0.000600000000000156	-0.5128	1.68	0.596	101.1045	102.4757	3.2048	419.306828536041
Cond-010447	NSC24559	24559	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.137149079904	c1(c(c2c(cc1O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O)O)C)O)C)cc1c(c2O)C(=O)[C@H]([C@@H](C1)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@](C1)(C)O)O)C)O)C)O)C)O)C	InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20?,21?,22?,23?,24?,27+,28?,30?,31?,32?,33?,34?,35?,36?,37?,41+,42?,43?,44?,45?,49+,50+,51?,52?/m1/s1	C52H76O24	1085.15	24	11	358.2	8	15	3	-8.07050000000001	0.234600000000015	4.54	-1.614	210.279	265.604199999999	7.67440000000003	979.806219547331
Cond-010448	NSC24817	24817	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.260209475808	O1c2c(OC1)c(c1C[C@H]3COC(=O)[C@@H]3[C@@H](c1c2)c1cc(c(c(c1)OC)O)OC)O	InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1	C21H20O8	400.379	8	2	103.68	5	3	0	-1.5375	3.03888	2.89	0.807	53.1401	103.3036	2.6931	340.056445038891
Cond-010449	NSC24818	24818	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.5671908510019	O1c2c(OC1)cc1[C@@H]([C@H]3COC(=O)[C@@H]3[C@@H](c1c2)c1cc(c(c(c1)OC)OC)OC)O	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	C22H22O8	414.405	8	1	92.68	5	4	0	-1.5006	2.78608	3	1.259	56.5346	107.0038	2.834	357.352429664758
Cond-010450	NSC24819	24819	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.3896676888428	O1c2c(OC1)c(c1C[C@H]3COC(=O)[C@@H]3[C@@H](c1c2)c1cc(c(c(c1)OC)OC)OC)O	InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1	C22H22O8	414.405	8	1	92.68	5	4	0	-1.129	3.34188	3	1.326	57.8913	108.1908	2.834	357.352429664758
Cond-010451	NSC248436	248436	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.009808482943	Br[Pt]1(Br)[n+]2c3c(=[S]1)nc([nH]c3n(c2)C1OC(C(C1O)O)CO)N	InChI=1S/C10H13N5O4S.2BrH.Pt/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9;;;/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20);2*1H;/q;;;+3/p-2	C10H13Br2N5O4PtS+	654.192	9	0	27.84	4	2	0	NA	0.75171	1.13	NA	NA	74.2455	1.8994	NA
Cond-010452	NSC249992	249992	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	79.5807950648069	n1c2c(c(c3ccccc13)Nc1ccc(cc1OC)NS(=O)(=O)C)cccc2	InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)	C21H19N3O3S	393.459	6	2	88.7	4	5	0	-1.3064	6.03087	3	4.858	27.4541	110.9724	2.8421	330.251698816585
Cond-010453	NSC25149	25149	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.890141192228	C1C(=CC2=CC[C@@H]3[C@@]([C@H]2C1)(CCC[C@]3(C(=O)O)C)C)C(C)C	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1	C20H30O2	302.451	2	1	37.3	3	2	1	1.3773	5.29247000000001	3.44	6.113	90.3137	92.2388000000001	2.5892	327.077852414457
Cond-010454	NSC253272	253272	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8907279925547	N(OC(=O)NC)(C(=O)NC)C(=O)C	InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)	C6H11N3O4	189.169	7	2	87.74	0	6	0	-0.620700000000001	-1.36891	1.35	-0.639	40.4947	46.4194	1.3592	172.574177780345
Cond-010455	NSC253995	253995	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	34.5064221801663	c1ccncc1.C(F)(F)(F)C1=[O][Eu+3]234([O]=C([CH-]C(=[O]4)C(F)(F)F)c4ccccc4)([O]=C([CH-]C(=[O]3)C(F)(F)F)c3ccccc3)([O]=C([CH-]C(=[O]2)C(F)(F)F)c2ccccc2)[O]=C([CH-]1)c1ccccc1	InChI=1S/4C10H6F3O2.C5H5N.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h4*1-6H;1-5H;/q4*-1;;+3	C45H29EuF12NO8-	1091.66	9	0	12.36	9	8	0	NA	5.02115	3.99	NA	NA	194.2405	4.899	NA
Cond-010456	NSC255109	255109	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O=C1C2=C(N)C(=O)C=C1NC(=O)/C(=C/C=C\C(OC)C(/C(=C/C(C(C(CC(C2)C)OC)O)C)/C)OC(=O)N)/C	InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+	C28H39N3O8	545.625	11	6	180.27	2	4	1	0.117699999999994	0.949640000000003	3.33	0.718	145.7304	145.2303	4.2186	547.715076745259
Cond-010457	NSC256927	256927	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.355810945953	N([Pt](NC(C)C)(Cl)(Cl)(O)O)C(C)C	InChI=1S/2C3H8N.2ClH.2H2O.Pt/c2*1-3(2)4;;;;;/h2*3-4H,1-2H3;2*1H;2*1H2;/q2*-1;;;;;+6/p-4	C6H18Cl2N2O2Pt	416.203	4	4	64.52	0	4	0	-0.685799999999999	0.6818	1.35	1.705	54.3924	54.821	1.5362	NA
Cond-010458	NSC257473	257473	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	27.9157389758893	c1ccc(cc1)C(c1ccccc1)(c1ccccc1Cl)n1ccnc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	C22H17ClN2	344.837	2	0	17.82	4	4	1	0.4726	5.1385	3.55	8.559	10.8166	100.351	2.623	304.245828144635
Cond-010459	NSC257473	257473	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.4239828648054	c1ccc(cc1)C(c1ccccc1)(c1ccccc1Cl)n1ccnc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	C22H17ClN2	344.837	2	0	17.82	4	4	1	0.4726	5.1385	3.55	8.559	10.8166	100.351	2.623	304.245828144635
Cond-010460	NSC258812	258812	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	O=C1c2c(C(=O)c3c(c4C[C@@](C[C@H](OC5OC(C(C(C5)N(C)C)O)C)c4c(c13)O)(O)C(=O)C)O)cccc2OC.Cl	InChI=1S/C29H33NO10.ClH/c1-12-24(32)16(30(3)4)9-19(39-12)40-18-11-29(37,13(2)31)10-15-21(18)28(36)23-22(26(15)34)25(33)14-7-6-8-17(38-5)20(14)27(23)35;/h6-8,12,16,18-19,24,32,34,36-37H,9-11H2,1-5H3;1H/t12?,16?,18-,19?,24?,29-;/m0./s1	C29H34ClNO10	592.034	11	4	163.06	5	5	0	-2.7791	2.05498	3.44	-0.871	93.655	147.1901	3.9515	501.728618253514
Cond-010461	NSC26040	26040	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	34.7918460524834	N1(CCCCC1)CC(c1ccc(/C=C/c2ccc(Cl)cc2)cc1)O	InChI=1S/C21H24ClNO/c22-20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)21(24)16-23-14-2-1-3-15-23/h4-13,21,24H,1-3,14-16H2/b5-4+	C21H24ClNO	341.874	2	1	23.47	3	5	1	-0.114600000000002	4.39699000000001	3.44	6.788	47.6661	99.4408000000001	2.7216	329.445603515163
Cond-010462	NSC26045	26045	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.3675450430509	Clc1cc(Cl)c2NC(=O)C(=O)c2c1	InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)	C8H3Cl2NO2	216.021	3	1	46.17	2	0	0	0.59	2.96218	1.79	1.634	24.0187	52.9082	1.2656	157.128473952289
Cond-010463	NSC260610	260610	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	39.378492957369	n1c2ccccc2c(c2c1cc(cc2)OC)NCCCCCCNc1c2ccccc2nc2c1ccc(c2)OC	InChI=1S/C34H34N4O2/c1-39-23-15-17-27-31(21-23)37-29-13-7-5-11-25(29)33(27)35-19-9-3-4-10-20-36-34-26-12-6-8-14-30(26)38-32-22-24(40-2)16-18-28(32)34/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H,35,37)(H,36,38)	C34H34N4O2	530.659	6	2	68.3	6	11	2	-2.0732	9.60146999999999	4.54	7.944	42.3024	169.3744	4.1622	481.738256198059
Cond-010464	NSC261726	261726	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.105954634077	O=c1c2nc[nH]c2cc(N)[nH]1	InChI=1S/C6H6N4O/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)	C6H6N4O	150.138	5	4	83.8	2	0	0	-1.328	-1.28602	1.57	-0.548	23.323	40.6101	1.0227	118.950881784428
Cond-010465	NSC262665	262665	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.5318247230828	O(c1cc(OCc2ccccc2)c(cc1)/C=C/1\N=C(OC1=O)c1ccccc1)C	InChI=1S/C24H19NO4/c1-27-20-13-12-19(22(15-20)28-16-17-8-4-2-5-9-17)14-21-24(26)29-23(25-21)18-10-6-3-7-11-18/h2-15H,16H2,1H3/b21-14-	C24H19NO4	385.412	5	0	57.12	4	6	1	-0.2297	4.33038	3.55	7.556	35.7837	112.241	2.8744	356.054417519213
Cond-010466	NSC26273	26273	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	96.5710432315309	n1c(c2ncn(c2nc1)C1OC(C(C1O)O)CO)SCc1ccccc1	InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2	C17H18N4O4S	374.414	8	3	138.82	4	5	0	-0.927	1.31978	2.34	2.316	42.8	96.1904	2.566	299.664123324246
Cond-010467	NSC263500	263500	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.9012693050879	[n+]1(ccc(cc1)c1cc[n+](cc1)C)C.[Cl-]	InChI=1S/C12H14N2.ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;/h3-10H,1-2H3;1H/q+2;/p-1	C12H14ClN2+	221.706	2	0	7.76	2	1	0	-2.6832	3.45158	2.56	2.222	11.3934	61.6	1.5668	178.406583721934
Cond-010468	NSC264880	264880	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.208583921037	O=C1N(CN=C(N1)N)C1OC(C(C1O)O)CO.Cl	InChI=1S/C8H14N4O5.ClH/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6;/h3-6,13-15H,1-2H2,(H3,9,10,11,16);1H	C8H15ClN4O5	282.682	9	6	140.64	2	2	0	-3.233	-3.67921	1.35	-2.448	50.3355	57.4745	1.6253	204.876675240006
Cond-010469	NSC265211	265211	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.509366283188	O1C(OC2C(CC(OC2C)OC2C(OC(O[C@H]3C[C@]([C@@H](c4cc5C(=O)c6c(ccc(c6C(=O)c5c(c34)O)O)O)C(=O)OC)(O)CC)CC2N(C)C)C)O)CC(C(C1C)O)O	InChI=1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16?,17?,18?,21?,24?,25?,26-,27?,28?,29?,34-,35?,39?,40?,42+/m0/s1	C42H55NO17	845.883	18	7	260.67	7	10	2	-5.6735	2.31458000000001	4.1	-0.25	153.7677	212.851	5.97690000000002	763.395087892104
Cond-010470	NSC265450	265450	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	87.7696099075204	C12(OC(Oc3c2cc(c2c3C(=O)c3cc4CC(CC(OC5OC(C(C(C5OC)(C)OC)OC)C)c4c(c3C2=O)O)(C)O)O)C(C(C1O)N(C)C)O)C	InChI=1S/C37H47NO14/c1-14-31(46-7)37(4,48-9)32(47-8)34(49-14)50-19-13-35(2,45)12-15-10-16-21(26(41)20(15)19)27(42)22-18(39)11-17-29(23(22)25(16)40)51-33-28(43)24(38(5)6)30(44)36(17,3)52-33/h10-11,14,19,24,28,30-34,39,41,43-45H,12-13H2,1-9H3	C37H47NO14	729.767	15	5	203.14	7	6	1	-2.3796	1.69089000000001	3.88	-1.219	135.5821	186.0117	5.13930000000001	653.180943361888
Cond-010471	NSC265450	265450	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	16.6552305780352	C12(OC(Oc3c2cc(c2c3C(=O)c3cc4CC(CC(OC5OC(C(C(C5OC)(C)OC)OC)C)c4c(c3C2=O)O)(C)O)O)C(C(C1O)N(C)C)O)C	InChI=1S/C37H47NO14/c1-14-31(46-7)37(4,48-9)32(47-8)34(49-14)50-19-13-35(2,45)12-15-10-16-21(26(41)20(15)19)27(42)22-18(39)11-17-29(23(22)25(16)40)51-33-28(43)24(38(5)6)30(44)36(17,3)52-33/h10-11,14,19,24,28,30-34,39,41,43-45H,12-13H2,1-9H3	C37H47NO14	729.767	15	5	203.14	7	6	1	-2.3796	1.69089000000001	3.88	-1.219	135.5821	186.0117	5.13930000000001	653.180943361888
Cond-010472	NSC265459	265459	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.2420516202814	Cl[Pt]1(Cl)NC2C(N1)CCCC2	InChI=1S/C6H12N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;2*1H;/q-2;;;+4/p-2	C6H12Cl2N2Pt	378.157	2	2	24.06	2	0	0	-1.1224	1.7819	1.57	1.959	37.3148	44.0214	1.1586	NA
Cond-010473	NSC265473	265473	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	93.695017191541	O=c1[nH]c(c(/C=C/C(=O)NC(CO)CSCCCCCCCCCC)c(=O)[nH]1)C	InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-8-9-10-13-29-15-17(14-25)23-19(26)12-11-18-16(2)22-21(28)24-20(18)27/h11-12,17,25H,3-10,13-15H2,1-2H3,(H,23,26)(H2,22,24,27,28)/b12-11+	C21H35N3O4S	425.585	7	4	132.83	1	16	1	-2.898	3.09327	2.89	4.019	103.8119	120.1689	3.44159999999999	432.893595123547
Cond-010474	NSC266535	266535	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	9.95785009813039	O=C1c2c(C3=C[C@@H]([C@H]([C@H]([C@@H]3N1)O)O)O)cc1c(c2O)OCO1	InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1	C14H13NO7	307.256	8	5	128.48	4	0	0	-2.7081	-1.00093	2.12	-1.103	47.8621	75.5019	1.9425	249.720462267828
Cond-010475	NSC266535	266535	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.4875775804917	O=C1c2c(C3=C[C@@H]([C@H]([C@H]([C@@H]3N1)O)O)O)cc1c(c2O)OCO1	InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1	C14H13NO7	307.256	8	5	128.48	4	0	0	-2.7081	-1.00093	2.12	-1.103	47.8621	75.5019	1.9425	249.720462267828
Cond-010476	NSC267033	267033	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	58.2306606598659	C1C(=CC2C(C1)(C)[C@]1([C@]3([C@@H](O2)C[C@@H]1OC(=O)C)CO3)C)C	InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12?,13-,14?,15?,16-,17+/m0/s1	C17H24O4	292.37	4	0	48.06	4	2	0	0.4815	2.77098	2.89	2.23	75.6514	79.693	2.2183	283.050351937979
Cond-010477	NSC267033	267033	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.67251488034435	C1C(=CC2C(C1)(C)[C@]1([C@]3([C@@H](O2)C[C@@H]1OC(=O)C)CO3)C)C	InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12?,13-,14?,15?,16-,17+/m0/s1	C17H24O4	292.37	4	0	48.06	4	2	0	0.4815	2.77098	2.89	2.23	75.6514	79.693	2.2183	283.050351937979
Cond-010478	NSC267213	267213	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.9208228913531	N(=C\C(=O)O)/NS(=O)(=O)c1ccc(cc1)OC	InChI=1S/C9H10N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)11-10-6-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+	C9H10N2O5S	258.251	7	2	113.44	1	5	0	-0.7018	0.79168	1.57	1.452	33.2145	58.3825	1.7097	212.235246105539
Cond-010479	NSC267229	267229	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	O=C1c2c(ccc(c2C(=O)c2c1cc1[C@H]([C@@](C[C@H](OC3OC(C(C(C3)N(C)C)O)C)c1c2O)(O)CC)C(=O)OC)O)O	InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12?,15?,18-,19?,24-,25?,30+/m0/s1	C30H35NO11	585.599	12	5	183.29	5	6	0	-3.6251	2.55258000000001	3.44	-0.213	97.7991	153.1874	4.1511	527.814829579941
Cond-010480	NSC267461	267461	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	72.7529750704873	c1ccc2c(c1O)C(=O)C1=C(C2=O)CC(OC1C)CC(=O)O	InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)	C16H14O6	302.279	6	2	100.9	3	2	0	-1.2575	1.87998	2.56	0.142	52.0825	77.9716000000001	2.0884	271.608985910034
Cond-010481	NSC267461	267461	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.54201772570798	c1ccc2c(c1O)C(=O)C1=C(C2=O)CC(OC1C)CC(=O)O	InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)	C16H14O6	302.279	6	2	100.9	3	2	0	-1.2575	1.87998	2.56	0.142	52.0825	77.9716000000001	2.0884	271.608985910034
Cond-010482	NSC267700	267700	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.026388485245	n12c(c(c(c2c2cc(Cl)c(Cl)cc2)COC(=O)NCC)COC(=O)NCC)CCC1	InChI=1S/C21H25Cl2N3O4/c1-3-24-20(27)29-11-14-15(12-30-21(28)25-4-2)19(26-9-5-6-18(14)26)13-7-8-16(22)17(23)10-13/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,24,27)(H,25,28)	C21H25Cl2N3O4	454.347	7	2	81.59	3	11	1	2.0416	4.27288	2.78	3.748	73.1958	119.1994	3.2197	393.020871803613
Cond-010483	NSC267712	267712	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	63.2258045345209	C(=C)(C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C31OC3CC2c1ccc(=O)oc1)C)C)C	InChI=1S/C28H36O5/c1-16(2)25(30)32-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)22(14-23-28(21,27)33-23)17-5-8-24(29)31-15-17/h5,8,15,18-23H,1,6-7,9-14H2,2-4H3	C28H36O5	452.582	5	0	65.13	6	4	1	1.426	5.27386000000001	3.99	5.326	120.419	125.156	3.4807	449.474116019075
Cond-010484	NSC268242	268242	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	33.8300166533861	O=C1c2c(C(=O)c3c(c4C[C@](C[C@H](OC5OC(C(C(N(Cc6ccccc6)Cc6ccccc6)C5)O)C)c4c(c13)O)(C(=O)C)O)O)cccc2OC.Cl	InChI=1S/C41H41NO10.ClH/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47;/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3;1H/t22?,28?,30-,31?,36?,41-;/m0./s1	C41H42ClNO10	744.226	11	4	163.06	7	9	0	-2.9605	4.51678000000001	4.76	4.945	91.686	194.1221	5.16710000000001	646.948764157511
Cond-010485	NSC268251	268251	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	n1c(c2[nH]cnc2nc1)NC1OC(C(C(C1O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)C	InChI=1S/C29H49N7O5/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(37)30-16-22(38)35-23-20(3)41-29(26(40)25(23)39)36-28-24-27(32-17-31-24)33-18-34-28/h17-20,23,25-26,29,39-40H,4-16H2,1-3H3,(H,30,37)(H,35,38)(H2,31,32,33,34,36)	C29H49N7O5	575.743	12	6	174.38	3	20	4	-5.4217	3.92687000000001	3.33	6.201	107.8459	161.7967	4.603	556.380339503708
Cond-010486	NSC268986	268986	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.387035123503	[Br-].[n+]1(c2c(ccc(c2)N)c2ccc(cc2c1c1ccccc1)N)CC	InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H	C21H20BrN3	394.308	3	4	55.92	4	2	1	-2.591	6.48878	3.44	5.321	18.4347	106.1268	2.524	286.690224007702
Cond-010487	NSC269142	269142	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.0175465775063	[C@@H]12[C@@]([C@]3([C@@H]([C@H]([C@@H](O1)[C@]13OC1)O)O)C)(CCC(=C2)C)CO	InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-/m1/s1	C15H22O5	282.332	5	3	82.45	4	1	0	-1.211	-0.0905100000000002	2.56	-0.243	71.3255	69.7044000000001	2.0382	259.885068087606
Cond-010488	NSC269146	269146	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.0497023643508	O1C(C(C(CC1OC1C(C(OC(Oc2cc3cc4C[C@@H]([C@@H](C(=O)[C@H]([C@H](O)C)O)OC)[C@H](OC5OC(C(C(OC6OC(C(C(OC7OC(C(C(C7)O)OC)C)C6)O)C)C5)O)C)C(=O)c4c(c3c(c2C)O)O)C1)C)O)O)O)C	InChI=1S/C52H76O24/c1-18-30(72-36-15-31(44(59)21(4)68-36)73-34-13-28(54)43(58)20(3)67-34)12-26-10-25-11-27(51(66-9)49(64)42(57)19(2)53)52(48(63)40(25)47(62)39(26)41(18)56)76-38-17-33(46(61)23(6)70-38)75-37-16-32(45(60)22(5)69-37)74-35-14-29(55)50(65-8)24(7)71-35/h10,12,19-24,27-29,31-38,42-46,50-62H,11,13-17H2,1-9H3/t19-,20?,21?,22?,23?,24?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,42+,43?,44?,45?,46?,50?,51+,52+/m1/s1	C52H76O24	1085.15	24	10	347.2	8	16	3	-7.867	0.498600000000015	4.54	-1.941	210.3926	265.777399999999	7.67440000000003	979.806219547331
Cond-010489	NSC269148	269148	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	[C@@H]1([C@@H]([C@H]2O[C@@]([C@@H]1O)(c1c(O2)c2C(=O)c3cc4C[C@@](C[C@@H](c4c(c3C(=O)c2c(c1)O)O)OC)(C)O)C)O)N(C)C	InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19-,23-,25+,26+,27+,28+/m0/s1	C28H31NO10	541.546	11	5	166.22	6	2	0	-2.1547	1.14079	3.33	-1.411	90.4069	140.5927	3.745	474.712633627647
Cond-010490	NSC269754	269754	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	CC12C3(C4CC2OC(=O)/C=C/C=C/C(OCC(C(CC(=O)OCC21C(O4)C=C(C(C2)O)C)C)O)C(C)O)CO3	InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6+	C29H40O10	548.622	10	3	144.28	5	1	0	-0.988900000000005	1.37666	3.55	0.468	138.0254	139.6424	4.0237	523.077692848547
Cond-010491	NSC273829	273829	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.7790803661718	n1c2c(c(cc1C)NCCCCCCCNc1c3c(nc(c1)C)cc(cc3)N)ccc(c2)N	InChI=1S/C27H34N6/c1-18-14-24(22-10-8-20(28)16-26(22)32-18)30-12-6-4-3-5-7-13-31-25-15-19(2)33-27-17-21(29)9-11-23(25)27/h8-11,14-17H,3-7,12-13,28-29H2,1-2H3,(H,30,32)(H,31,33)	C27H34N6	442.599	6	6	101.88	4	10	1	-2.8784	6.88841000000001	3.77	5.079	50.4916	141.9802	3.6473	422.138183037003
Cond-010492	NSC274893	274893	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	98.8236520464438	C1N(C2Cc3c(Oc4c(OC)cc5c6c(OC)c(OC)cc7c6C(Cc5c4)N(CC7)C)ccc(c3c3c2c(C1)cc(c3OC)OC)OC)C.Cl	InChI=1S/C40H44N2O7.ClH/c1-41-13-11-21-16-32(45-5)39(47-7)37-24-20-30(44-4)31(18-23(24)15-26(41)34(21)37)49-28-9-10-29(43-3)36-25(28)19-27-35-22(12-14-42(27)2)17-33(46-6)40(48-8)38(35)36;/h9-10,16-18,20,26-27H,11-15,19H2,1-8H3;1H	C40H45ClN2O7	701.248	9	0	71.09	8	8	0	0.324499999999998	7.50559	4.87	4.454	97.5579	193.299999999999	4.97030000000001	609.831777039728
Cond-010493	NSC276299	276299	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4020292263187	Nc1nc2=[S][Pt]3([n+]4c2c([nH]1)[nH]c4)[n+]1c2c(=[S]3)nc([nH]c2[nH]c1)N	InChI=1S/2C5H5N5S.Pt/c2*6-5-9-3-2(4(11)10-5)7-1-8-3;/h2*1H,(H4,6,7,8,9,10,11);/q;;+2	C10H10N10PtS2++	529.461	10	3	68.79	6	0	0	NA	-2.34736	1.13	NA	NA	75.591	1.9567	NA
Cond-010494	NSC278619	278619	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.267843113583	[C@@H](N)(C)C(=O)NC(C(O)C(C=O)N)CO.Cl	InChI=1S/C8H17N3O4.ClH/c1-4(9)8(15)11-6(3-13)7(14)5(10)2-12;/h2,4-7,13-14H,3,9-10H2,1H3,(H,11,15);1H/t4-,5?,6?,7?;/m1./s1	C8H18ClN3O4	255.699	7	7	138.67	0	7	0	-3.5997	-3.06831	1.57	-3.089	51.3611	55.9551	1.684	209.802605732878
Cond-010495	NSC28002	28002	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	58.4134609298218	[Cl-].c1cc2c(cc1)ccc1c2c[n+]2c(c1C)cccc2	InChI=1S/C18H14N.ClH/c1-13-15-10-9-14-6-2-3-7-16(14)17(15)12-19-11-5-4-8-18(13)19;/h2-12H,1H3;1H/q+1;/p-1	C18H14ClN	279.763	1	0	4.1	4	0	1	-0.8019	5.01472	3.33	6.58	5.5021	81.763	1.9447	215.445208414567
Cond-010496	NSC281245	281245	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.2727671546575	C(CC)(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC1CC(CC(=O)O1)O	InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3	C23H34O5	390.513	5	1	72.83	3	7	0	-0.520599999999999	4.03577000000001	3.44	4.07	100.0218	108.9938	3.145	402.700027692941
Cond-010497	NSC281613	281613	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	30.7028732388748	O(S(=O)(=O)C)CCN(c1ccc(c(c1)C)/C=N/c1ccc(c(Cl)c1)c1nc(sc1)c1ccccc1)CCOS(=O)(=O)C	InChI=1S/C29H30ClN3O6S3/c1-21-17-25(33(13-15-38-41(2,34)35)14-16-39-42(3,36)37)11-9-23(21)19-31-24-10-12-26(27(30)18-24)28-20-40-29(32-28)22-7-5-4-6-8-22/h4-12,17-20H,13-16H2,1-3H3/b31-19+	C29H30ClN3O6S3	648.213	9	0	160.23	4	13	2	1.4213	7.98929000000001	3.22	6.274	79.586	166.3685	4.50880000000001	541.946454409236
Cond-010498	NSC282752	282752	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.89585410153	C\1(=C\CCC(C2CC3C(C(C(CCC1)C)O2)OC(=O)C3=C)(C)O)/C	InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8-	C20H30O4	334.45	4	1	55.76	3	0	0	1.3481	3.62547	3.22	3.359	89.1546	95.1208000000001	2.7066	344.65830581558
Cond-010499	NSC282880	282880	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	77.1252758612133	O(P(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC	InChI=1S/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3	C23H50NO4P	435.621	5	0	68.4	0	22	2	-6.5841	5.47570000000001	3.33	7.769	93.3695	115.7224	3.88849999999999	472.349025514148
Cond-010500	NSC282880	282880	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.0859094117074	O(P(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC	InChI=1S/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3	C23H50NO4P	435.621	5	0	68.4	0	22	2	-6.5841	5.47570000000001	3.33	7.769	93.3695	115.7224	3.88849999999999	472.349025514148
Cond-010501	NSC282880	282880	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	8.34424372922067	O(P(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC	InChI=1S/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3	C23H50NO4P	435.621	5	0	68.4	0	22	2	-6.5841	5.47570000000001	3.33	7.769	93.3695	115.7224	3.88849999999999	472.349025514148
Cond-010502	NSC283162	283162	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.607042367424	c1(nc(nc(n1)N(CO)C)N(CO)C)N(CO)C	InChI=1S/C9H18N6O3/c1-13(4-16)7-10-8(14(2)5-17)12-9(11-7)15(3)6-18/h16-18H,4-6H2,1-3H3	C9H18N6O3	258.278	9	3	109.08	1	6	0	-1.0179	-0.632929999999999	1.46	-1.431	46.1796	68.7994000000001	1.914	225.405726881084
Cond-010503	NSC284356	284356	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.3918170838379	O=C1C2C(C(=O)N1)C1C=CC2C2C1C1C(=O)NC(=O)C21	InChI=1S/C14H12N2O4/c17-11-7-3-1-2-4(8(7)12(18)15-11)6-5(3)9-10(6)14(20)16-13(9)19/h1-10H,(H,15,17,18)(H,16,19,20)	C14H12N2O4	272.256	6	2	92.34	3	0	0	-1.7648	-1.01412	2.34	-1.758	63.8626	66.3324	1.7576	232.890083673512
Cond-010504	NSC284751	284751	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.0307155343761	O1P(=O)(OC2C(OC(C2O)n2c3ncnc(c3nc2Cl)N)C1)O	InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)	C10H11ClN5O6P	363.651	11	4	164.65	4	1	1	-1.3063	-0.62001	1.13	-2.362	47.3156	70.649	2.0894	242.5081177757
Cond-010505	NSC285116	285116	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.493589473447	N1=C2SCC1C(=O)NC(C(C(C)O)(C)O)c1scc(n1)C(=O)NC1c3nc(cs3)C3N=C(CCC3(NC(=O)C(NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(NC3C=Cc4c(cc(C(=O)OC1C)nc4C3O)C(C)O)C(C)C)C)c1scc(n1)C(=O)NC(C(=O)N/C/2=C\C)C(O)C)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N	InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-	C71H81N19O18S5	1648.84	37	18	701	10	13	3	-5.1356	-0.871379999999988	4.65	2.609	331.2293	412.047600000001	11.4638	1436.48420525782
Cond-010506	NSC285166	285166	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.794703807754	c1cnc2c(c1)cccc2O	InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H	C9H7NO	145.158	2	1	33.12	2	0	0	-0.4603	2.31099	2.23	1.854	2.5646	45.827	1.103	124.312096336728
Cond-010507	NSC285223	285223	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	N1=C[C@H]2N([C@H](CC2)O)C(=O)c2c1cc(c(c2)OC)O.N1=C[C@H]2N([C@@H](CC2)O)C(=O)c2c1cc(c(c2)OC)O	InChI=1S/2C13H14N2O4/c2*1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h2*4-7,12,16-17H,2-3H2,1H3/t7-,12+;7-,12-/m00/s1	C26H28N4O8	524.523	6	2	82.36	3	1	0	-2.2423	0.905780000000002	2.23	0.341	39.761	71.8456	1.8339	229.407016449245
Cond-010508	NSC286193	286193	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.234608076447	C(=O)(c1nc(sc1)C1OC(CO)C(C1O)O)N	InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)	C9H12N2O5S	260.267	7	5	154.14	2	3	0	-1.7692	-1.51681	1.57	-1.827	42.8517	60.8958	1.6871	205.151704806339
Cond-010509	NSC288010	288010	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O(c1ccc2c(c1)CCc1c2n(c2ccc(Cl)cc2)nc1C(=O)NCCN(CC)CC)C.Cl	InChI=1S/C25H29ClN4O2.ClH/c1-4-29(5-2)15-14-27-25(31)23-22-12-6-17-16-20(32-3)11-13-21(17)24(22)30(28-23)19-9-7-18(26)8-10-19;/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,27,31);1H	C25H30Cl2N4O2	489.437	6	1	58.87	4	9	0	0.937500000000001	4.81768000000001	3.44	4.739	65.3051	133.4797	3.4487	411.880673241291
Cond-010510	NSC290205	290205	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	CC12CCC(CC1CCC1C3CCC(=O)NC3(C)CCC21)OC(=O)Cc1ccc(cc1)N(CCCl)CCCl	InChI=1S/C31H44Cl2N2O3/c1-30-13-11-24(38-29(37)19-21-3-6-23(7-4-21)35(17-15-32)18-16-33)20-22(30)5-8-25-26(30)12-14-31(2)27(25)9-10-28(36)34-31/h3-4,6-7,22,24-27H,5,8-20H2,1-2H3,(H,34,36)	C31H44Cl2N2O3	563.599	5	1	58.64	5	9	1	1.6237	6.57009000000001	4.1	7.93	121.8347	157.0897	4.339	537.653731153552
Cond-010511	NSC292147	292147	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	78.318667755204	c1ccc2c(c1)C(=O)C1=Nc3c(C(N21)O)cccc3	InChI=1S/C15H10N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,15,19H	C15H10N2O2	250.252	4	1	52.9	4	0	0	-1.0685	2.53078	2.67	4.033	19.7867	75.4968	1.7607	215.252697496656
Cond-010512	NSC292567	292567	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	73.3002896840711	CC1C2(OC(C1)(C)C1OC(CC1)(C)C1OC(CC1C)C1OC(CO)(O)C(CC1C)C)OC(CC1OC(C(C(=O)O)C)C(CC1)C)CC(C2C)OC	InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)	C40H68O11	724.961	11	3	142.37	6	9	1	-1.34440000000001	5.93949000000001	4.65	4.727	177.245	191.9794	5.69570000000002	720.313126536037
Cond-010513	NSC292567	292567	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	7.88158032150322	CC1C2(OC(C1)(C)C1OC(CC1)(C)C1OC(CC1C)C1OC(CO)(O)C(CC1C)C)OC(CC1OC(C(C(=O)O)C)C(CC1)C)CC(C2C)OC	InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)	C40H68O11	724.961	11	3	142.37	6	9	1	-1.34440000000001	5.93949000000001	4.65	4.727	177.245	191.9794	5.69570000000002	720.313126536037
Cond-010514	NSC292663	292663	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.257091903953	O(C(=O)C(CC)C)C1C2C(/C=C(\CO)/C(CC(/C(=C/1)/C)O)OC(=O)C)OC(=O)C2=C	InChI=1S/C22H30O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h7-8,11,16-20,23,25H,4,6,9-10H2,1-3,5H3/b12-7+,15-8+	C22H30O8	422.469	8	2	119.36	2	7	0	-0.211699999999999	1.61586	3	1.097	104.2375	109.3816	3.2028	418.858264467958
Cond-010515	NSC292684	292684	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.7855791613793	C1CCC(CC1)NC(=O)N(N=O)CCSCCCl	InChI=1S/C11H20ClN3O2S/c12-6-8-18-9-7-15(14-17)11(16)13-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,16)	C11H20ClN3O2S	293.813	5	1	87.07	1	9	0	-0.339300000000001	2.47	1.9	3.349	66.3135	74.7177	2.1666	265.473739336589
Cond-010516	NSC293015	293015	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	96.5298152570644	N(CC)(CC)CCOC(=O)Cc1cccc2c1oc(cc2=O)c1ccccc1.Cl	InChI=1S/C23H25NO4.ClH/c1-3-24(4-2)13-14-27-22(26)15-18-11-8-12-19-20(25)16-21(28-23(18)19)17-9-6-5-7-10-17;/h5-12,16H,3-4,13-15H2,1-2H3;1H	C23H26ClNO4	415.91	5	0	55.84	3	9	1	0.181900000000002	4.01677000000001	3.44	5.549	59.6806	112.291	2.9711	369.924267696547
Cond-010517	NSC293927	293927	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.9187628947649	c1ccc2c(c1)C(=O)/C(=C/1\SSC(=C1)c1ccccc1)/C(=O)O2	InChI=1S/C18H10O3S2/c19-17-12-8-4-5-9-13(12)21-18(20)16(17)15-10-14(22-23-15)11-6-2-1-3-7-11/h1-10H/b16-15+	C18H10O3S2	338.4	3	0	93.97	4	1	1	0.6727	4.95666	2.89	5.527	45.2972	97.0065	2.2835	285.682488372084
Cond-010518	NSC294577	294577	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.7447780697002	C1CC(C2C(C1)(C1=C(C(C2)O)C(=O)C(=C(C1=O)O)C(C)C)C)(C)C	InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3	C20H28O4	332.434	4	2	74.6	3	1	0	0.468200000000002	3.58637	3.22	4.369	92.1259	94.0886000000001	2.6636	342.02184711478
Cond-010519	NSC294577	294577	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.09831562559343	C1CC(C2C(C1)(C1=C(C(C2)O)C(=O)C(=C(C1=O)O)C(C)C)C)(C)C	InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3	C20H28O4	332.434	4	2	74.6	3	1	0	0.468200000000002	3.58637	3.22	4.369	92.1259	94.0886000000001	2.6636	342.02184711478
Cond-010520	NSC294961	294961	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	66.9525611965762	c1ccc(cc1)C(=O)/C=C\1/c2cc(ccc2NC1=O)Br	InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-	C16H10BrNO2	328.16	3	1	46.17	3	2	0	0.1557	4.05327	2.78	4.646	30.41	83.7237	2.0424	250.555540891923
Cond-010521	NSC294961	294961	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.48262041703252	c1ccc(cc1)C(=O)/C=C\1/c2cc(ccc2NC1=O)Br	InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-	C16H10BrNO2	328.16	3	1	46.17	3	2	0	0.1557	4.05327	2.78	4.646	30.41	83.7237	2.0424	250.555540891923
Cond-010522	NSC295156	295156	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	106.152320177826	C1=CC(C=CC1=O)(O)C	InChI=1S/C7H8O2/c1-7(9)4-2-6(8)3-5-7/h2-5,9H,1H3	C7H8O2	124.137	2	1	37.3	1	0	0	0.1527	0.51877	2.01	0.156	36.4331	36.6138	0.9747	126.942969679789
Cond-010523	NSC29603	29603	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	99.4037088422063	n1c(c2ncn(c2nc1N)c1ccccc1)N.Cl	InChI=1S/C11H10N6.ClH/c12-9-8-10(16-11(13)15-9)17(6-14-8)7-4-2-1-3-5-7;/h1-6H,(H4,12,13,15,16);1H	C11H11ClN6	262.698	6	4	95.12	3	1	0	-1.4866	2.62486	2.01	1.583	11.3422	70.0908	1.6305	176.568263826334
Cond-010524	NSC296961	296961	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.182113538792	S(P(=O)(O)O)CCNCCCN	InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)	C5H15N2O3PS	214.223	5	5	130.69	0	7	0	-1.2498	-0.2493	1.24	-1.866	48.5897	51.0432	1.5569	181.73685981375
Cond-010525	NSC2979	2979	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	28.2988156941157	C1C(C(C2(C(C1)C1(CCCC(C1CC2Cl)(C)C(=O)O)C)Cl)Cl)(Cl)C(C)C	InChI=1S/C20H30Cl4O2/c1-11(2)19(23)9-6-12-17(3)7-5-8-18(4,16(25)26)13(17)10-14(21)20(12,24)15(19)22/h11-15H,5-10H2,1-4H3,(H,25,26)	C20H30Cl4O2	444.263	2	1	37.3	3	2	1	3.6225	6.75729	3	6.641	104.9469	113.0628	3.1648	393.195040897791
Cond-010526	NSC299187	299187	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.120924206938	c1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1NCCNCCO)O	InChI=1S/C18H18N2O4/c21-10-9-19-7-8-20-13-5-6-14(22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,19-22H,7-10H2	C18H18N2O4	326.347	6	4	98.66	3	6	0	-2.2426	1.50038	2.78	0.954	41.27	95.2997	2.4094	297.077563476179
Cond-010527	NSC299879	299879	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	101.358752840106	O(c1c(cc2c(c1)oc(=O)cc2C)N(=O)=O)C	InChI=1S/C11H9NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5H,1-2H3	C11H9NO5	235.193	6	0	78.67	2	2	0	1.3247	2.83746	2.01	2	32.023	67.111	1.5766	202.328513689906
Cond-010528	NSC301460	301460	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	79.094946810909	O=C(N1C(CC(CC1C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CN(CCO)C)C)(C)C)(C)C)C)(C)C)C)CC(=O)CC)C1N(CCC1)C(=O)C(CCCCCCCC)C	InChI=1S/C61H109N11O12/c1-19-22-23-24-25-26-28-39(6)52(79)71-30-27-29-45(71)53(80)72-43(35-44(74)21-3)33-37(4)34-46(72)50(77)63-41(8)48(75)66-61(16,17)57(84)69-59(12,13)55(82)65-47(38(5)20-2)51(78)64-42(9)49(76)67-60(14,15)56(83)68-58(10,11)54(81)62-40(7)36-70(18)31-32-73/h37-43,45-47,73H,19-36H2,1-18H3,(H,62,81)(H,63,77)(H,64,78)(H,65,82)(H,66,75)(H,67,76)(H,68,83)(H,69,84)	C61H109N11O12	1188.58	23	9	313.96	2	44	3	-6.3063	3.51119	5.64	4.2	298.726	325.5394	9.81550000000004	1236.34464046484
Cond-010529	NSC301460	301460	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	6.6758161705657	O=C(N1C(CC(CC1C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CN(CCO)C)C)(C)C)(C)C)C)(C)C)C)CC(=O)CC)C1N(CCC1)C(=O)C(CCCCCCCC)C	InChI=1S/C61H109N11O12/c1-19-22-23-24-25-26-28-39(6)52(79)71-30-27-29-45(71)53(80)72-43(35-44(74)21-3)33-37(4)34-46(72)50(77)63-41(8)48(75)66-61(16,17)57(84)69-59(12,13)55(82)65-47(38(5)20-2)51(78)64-42(9)49(76)67-60(14,15)56(83)68-58(10,11)54(81)62-40(7)36-70(18)31-32-73/h37-43,45-47,73H,19-36H2,1-18H3,(H,62,81)(H,63,77)(H,64,78)(H,65,82)(H,66,75)(H,67,76)(H,68,83)(H,69,84)	C61H109N11O12	1188.58	23	9	313.96	2	44	3	-6.3063	3.51119	5.64	4.2	298.726	325.5394	9.81550000000004	1236.34464046484
Cond-010530	NSC302358	302358	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.4267326338217	c1cc(ccc1OC)c1csc(=[N+]2CCCCC2)s1.OS(=O)(=O)O	InChI=1S/C15H18NOS2.H2O4S/c1-17-13-7-5-12(6-8-13)14-11-18-15(19-14)16-9-3-2-4-10-16;1-5(2,3)4/h5-8,11H,2-4,9-10H2,1H3;(H2,1,2,3,4)/q+1;	C15H20NO5S3+	390.518	2	0	62.84	3	2	0	-1.6855	4.20308	2.67	3.639	53.0761	87.878	2.1883	264.967822856728
Cond-010531	NSC302979	302979	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.8949079107389	O(C1CCC2(C(C1(C)C)CC(C1=CC(CCC2=O)C(=C)C1=O)O)C)C(=O)C	InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)9-8-19(27-13(2)23)21(3,4)17(22)11-16(24)15(10-14)20(12)26/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3	C22H30O5	374.471	5	1	80.67	3	2	0	0.955799999999996	3.24227	3.33	1.607	100.1238	103.4538	2.9611	382.767584366274
Cond-010532	NSC304421	304421	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.5984744420072	CCC12CN3(=O)CCc4c5ccccc5[nH]c4C(CC(C3)C1O2)(c1cc2c(cc1OC)N(C)C1C32CCN2CC=CC(CC)(C32)C(C1(C(=O)OC)O)OC(=O)C)C(=O)OC	InChI=1S/C46H56N4O10/c1-8-42-16-12-18-49-19-17-44(37(42)49)30-21-31(34(56-5)22-33(30)48(4)38(44)46(54,41(53)58-7)39(42)59-26(3)51)45(40(52)57-6)23-27-24-50(55,25-43(9-2)36(27)60-43)20-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3	C46H56N4O10	824.958	14	2	166.22	10	10	1	-2.1671	4.95316000000001	4.98	3.318	159.4906	226.518199999999	6.01720000000002	750.795426612143
Cond-010533	NSC305222	305222	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	C1(=C)C(C2/C=C/CC(CC(/C=C/C(C32C(C1C)C(Cc1ccccc1)NC3=O)OC(=O)C)(O)C)C)O	InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+	C30H39NO5	493.634	6	3	95.86	4	4	1	-0.170100000000002	3.75056000000001	4.1	5.379	113.5134	141.0893	3.95050000000001	500.966386778175
Cond-010534	NSC3053	3053	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.271807749515	c1cc(c2c(c1C)oc1c(c(=O)c(N)c(c1n2)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C)C)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-010535	NSC305782	305782	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.55103107666605	c1c(cccc1Sc1cc2c(nc(nc2cc1)N)N)C(F)(F)F	InChI=1S/C15H11F3N4S/c16-15(17,18)8-2-1-3-9(6-8)23-10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)	C15H11F3N4S	336.335	4	4	103.12	3	3	0	0.1889	3.86657	2.23	4.154	22.6723	80.8858	2.1681	257.833923821187
Cond-010536	NSC305782	305782	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	76.3726404712245	c1c(cccc1Sc1cc2c(nc(nc2cc1)N)N)C(F)(F)F	InChI=1S/C15H11F3N4S/c16-15(17,18)8-2-1-3-9(6-8)23-10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)	C15H11F3N4S	336.335	4	4	103.12	3	3	0	0.1889	3.86657	2.23	4.154	22.6723	80.8858	2.1681	257.833923821187
Cond-010537	NSC305819	305819	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	P(=O)(O)(O)O.c1cc(c2c(c1)c(cc(n2)C(F)(F)F)C(CCNC(C)(C)C)O)C(F)(F)F	InChI=1S/C18H20F6N2O.H3O4P/c1-16(2,3)25-8-7-13(27)11-9-14(18(22,23)24)26-15-10(11)5-4-6-12(15)17(19,20)21;1-5(2,3)4/h4-6,9,13,25,27H,7-8H2,1-3H3;(H3,1,2,3,4)	C18H23F6N2O5P	492.35	3	2	45.15	2	7	1	2.0223	4.5206	2.45	5.93	49.256	88.0525000000001	2.5771	327.378071279535
Cond-010538	NSC305884	305884	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.709645186273	n1c2c(c3[nH]cnc3cc2)c(cc1C)Nc1ccc(cc1)N(C(=O)C)C.Cl	InChI=1S/C20H19N5O.ClH/c1-12-10-18(19-16(23-12)8-9-17-20(19)22-11-21-17)24-14-4-6-15(7-5-14)25(3)13(2)26;/h4-11H,1-3H3,(H,21,22)(H,23,24);1H	C20H20ClN5O	381.859	6	2	73.91	4	4	0	-0.9239	5.55497	3	3.291	30.8951	110.2677	2.6199	298.85975714833
Cond-010539	NSC306864	306864	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.6415999137439	C1C(CCC2(C(C3C(CC4C3(CCC3C4CC=C4C3(CCC(C4)OC3C(C(C(C(O3)CO)OC3C(C(C(C(O3)C)OC3C(C(C(C(O3)C)O)O)O)O)O)O)OC3C(C(C(C(O3)C)O)O)O)C)C)O2)C)O1)C	InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3	C51H82O20	1015.18	20	10	294.6	10	9	2	-5.2105	0.0196900000000102	4.87	2.002	239.7063	243.728999999999	7.33950000000003	940.255162922419
Cond-010540	NSC306864	306864	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	7.37182649027394	C1C(CCC2(C(C3C(CC4C3(CCC3C4CC=C4C3(CCC(C4)OC3C(C(C(C(O3)CO)OC3C(C(C(C(O3)C)OC3C(C(C(C(O3)C)O)O)O)O)O)O)OC3C(C(C(C(O3)C)O)O)O)C)C)O2)C)O1)C	InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3	C51H82O20	1015.18	20	10	294.6	10	9	2	-5.2105	0.0196900000000102	4.87	2.002	239.7063	243.728999999999	7.33950000000003	940.255162922419
Cond-010541	NSC307454	307454	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8660784432083	c1ccn(=O)cc1CNC(=O)N(N=O)CCCl	InChI=1S/C9H11ClN4O3/c10-3-5-14(12-16)9(15)11-6-8-2-1-4-13(17)7-8/h1-2,4,7H,3,5-6H2,(H,11,15)	C9H11ClN4O3	258.662	7	1	88.71	1	7	0	0.157	-0.1018	1.57	0.239	37.7969	58.8697	1.7508	213.350356833584
Cond-010542	NSC308847	308847	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.4912305841933	c1ccc2c3c1c(=O)n(c(=O)c3cc(c2)N)CCN(C)C	InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3	C16H17N3O2	283.325	5	2	66.64	3	3	0	-1.2672	1.54799	2.67	1.429	40.3209	85.3029	2.153	258.53835973229
Cond-010543	NSC30916	30916	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O1C(COC(C1)C[Hg]OC(=O)c1ccccc1)C[Hg]OC(=O)c1ccccc1	InChI=1S/2C7H6O2.C6H10O2.2Hg/c2*8-7(9)6-4-2-1-3-5-6;1-5-3-8-6(2)4-7-5;;/h2*1-5H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2	C20H20Hg2O6	757.549	6	0	71.06	3	10	1	-0.53	3.25188	2.78	6.238	40.971	99.76	2.4778	NA
Cond-010544	NSC310618	310618	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.391001807833	c1(=O)c(c2c(c(cc1O)C)C[C@@H](CC2)C(=C)C)O	InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m1/s1	C15H18O3	246.302	3	2	57.53	2	1	0	1.5556	3.45445	2.78	3.448	72.6584	72.3916000000001	1.966	256.471697284884
Cond-010545	NSC311153	311153	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.134659208479	c1(ccc2c(c1)c1c([nH]2)c(c2c(c1C)c[n+](cc2)CCN1CCCCC1)C)O.[O-]C(=O)C	InChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)	C26H31N3O3	433.543	4	2	43.14	5	3	0	-1.845	5.50351000000001	3.66	3.608	47.3504	119.877	2.9828	340.284863286664
Cond-010546	NSC313981	313981	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	78.7088234168011	P([Au]Cl)(CC)(CC)CC	InChI=1S/C6H15P.Au.ClH/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;;1H	C6H15AuClP	350.577	0	0	0	0	4	0	NA	2.03594	1.79	NA	NA	32.231	0.9144	NA
Cond-010547	NSC313981	313981	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	6.92901592046138	P([Au]Cl)(CC)(CC)CC	InChI=1S/C6H15P.Au.ClH/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;;1H	C6H15AuClP	350.577	0	0	0	0	4	0	NA	2.03594	1.79	NA	NA	32.231	0.9144	NA
Cond-010548	NSC314622	314622	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.7983187955498	O(c1c(OC)cc2c(c1)c1C(=O)c3c(c1n(c2=O)C)cc1c(c3)OCO1)C	InChI=1S/C20H15NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7H,8H2,1-3H3	C20H15NO6	365.336	7	0	74.3	5	2	0	-1.3772	2.76027	2.89	1.367	49.0141	98.5775	2.4486	310.903849818468
Cond-010549	NSC316157	316157	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.889237145206	c1ccc2c(c1)C(=O)c1c(C2=O)c(cc(c1O)NCCNCCO)O	InChI=1S/C18H18N2O5/c21-8-7-19-5-6-20-12-9-13(22)14-15(18(12)25)17(24)11-4-2-1-3-10(11)16(14)23/h1-4,9,19-22,25H,5-8H2	C18H18N2O5	342.346	7	5	118.89	3	6	0	-2.7029	1.57657	2.67	0.419999999999999	43.8346	99.3837	2.4681	305.86779017674
Cond-010550	NSC31702	31702	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.138403420431	n1(c2ccccc2)c2cc(=O)ccc2nc2c1cc(cc2)N	InChI=1S/C18H13N3O/c19-12-6-8-15-17(10-12)21(13-4-2-1-3-5-13)18-11-14(22)7-9-16(18)20-15/h1-11H,19H2	C18H13N3O	287.315	4	2	58.69	4	1	0	-0.9374	4.02685	3	4.184	38.8088	92.7024	2.1385	264.074267480262
Cond-010551	NSC319726	319726	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	51.8279573400877	c1cnc(cc1)/C(=N/NC(=S)N1CCC1)/C	InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+	C11H14N4S	234.321	4	1	72.61	2	4	0	-0.0891000000000001	1.79099	2.12	3.201	42.297	69.4127	1.789	212.51314357
Cond-010552	NSC32065	32065	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.927152192403	C(=O)(NO)N	InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)	CH4N2O2	76.0547	4	4	75.35	0	1	0	-1.088	-1.35811	1.13	-1.606	12.5072	17.3596	0.5235	62.7899584433223
Cond-010553	NSC320846	320846	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	94.5747770856207	c1(ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2)N	InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2	C15H11N3O	249.267	4	2	58.69	4	0	0	-1.3384	1.89779	2.67	2.732	22.5744	76.7134	1.8018	217.459231004262
Cond-010554	NSC320864	320864	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	62.0386372930089	c1cc(c(cc1)O)C(=O)N/N=C/1\C(=O)Nc2c1cc(cc2Cl)Cl	InChI=1S/C15H9Cl2N3O3/c16-7-5-9-12(10(17)6-7)18-15(23)13(9)19-20-14(22)8-3-1-2-4-11(8)21/h1-6,21H,(H,20,22)(H,18,19,23)	C15H9Cl2N3O3	350.156	6	3	90.79	3	3	0	-0.3469	3.25137	2.23	4.412	35.2819	91.2812	2.2296	275.181819946251
Cond-010555	NSC321803	321803	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.85044063205	[C@H]12CC[C@]3([C@@H](CCC3=O)[C@@H]1CCc1c2ccc(c1N(=O)=O)OC)C	InChI=1S/C19H23NO4/c1-19-10-9-12-11-5-7-16(24-2)18(20(22)23)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1	C19H23NO4	329.39	5	0	69.44	4	2	0	1.1684	4.12149	3	4.023	62.2584	94.3890000000001	2.4709	309.829705295479
Cond-010556	NSC322069	322069	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	67.4876847007033	C(=C\C(=O)C(CCCCC)CN1CCOCC1)/c1ccccc1.Br	InChI=1S/C20H29NO2.BrH/c1-2-3-5-10-19(17-21-13-15-23-16-14-21)20(22)12-11-18-8-6-4-7-9-18;/h4,6-9,11-12,19H,2-3,5,10,13-17H2,1H3;1H/b12-11+;	C20H30BrNO2	396.362	3	0	29.54	2	9	1	-0.687400000000001	3.84878	3.33	6.018	66.3745	97.5550000000001	2.7116	334.258153921824
Cond-010557	NSC323241	323241	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	25.096914585381	c1ccnc(c1)/C(=N/NC(=[SeH])N1CC2CCC(C1)CC2)/C	InChI=1S/C16H22N4Se/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,19,21)/b18-12+	C16H23N4Se	350.341	4	1	40.52	2	4	0	-0.266699999999999	2.17829	2.67	4.677	53.3644	88.4067	2.4339	290.938495465468
Cond-010558	NSC324368	324368	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O(CCCCCCCCCCCCCCCCCC)CC(OC)COP(=O)([O-])OCC[N+](C)(C)C	InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3	C27H58NO6P	523.726	7	0	86.86	0	27	2	-6.8172	5.50730000000001	3.55	7.426	115.1267	137.3384	4.56949999999999	559.113417418736
Cond-010559	NSC325319	325319	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.205673837325	C1(=O)C[C@H]([C@@H](NC(=O)C(C(OC(=O)C(N(C(=O)C2N(C(=O)C(NC(=O)C(C(=O)C(O1)C(C)C)C)CC(C)C)CCC2)C)Cc1ccc(cc1)OC)C)NC(=O)C(N(C)C(=O)C1CCCN1C(=O)C(O)C)CC(C)C)[C@H](C)CC)O	InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33?,34?,35?,36?,39?,40?,41?,42?,43?,44-,46+,47?,49?/m1/s1	C57H89N7O15	1112.35	22	5	287.9	4	18	3	-5.573	2.55039000000001	5.31	5.308	251.3239	293.431699999999	8.72560000000003	1108.65850642718
Cond-010560	NSC326231	326231	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.7582733316552	C(CCS(=O)(=N)CC[C@@H](C(=O)O)N)C	InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14?/m0/s1	C8H18N2O3S	222.305	5	4	112.62	0	7	0	-2.4709	0.60606	1.68	-1.222	42.765	53.6534	1.732	211.16110158255
Cond-010561	NSC326397	326397	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.3741688951632	Clc1c(Cl)cc2c(c1)nc[nH]2	InChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)	C7H4Cl2N2	187.026	2	1	28.68	2	0	0	1.0682	3.19818	1.79	1.885	14.5312	48.628	1.1501	124.985254834267
Cond-010562	NSC327697	327697	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.2290149395617	Clc1cc(Cl)c2c(c1)/C(=N/N=C/c1ccc(cc1)N(C)C)/C(=O)N2	InChI=1S/C17H14Cl2N4O/c1-23(2)12-5-3-10(4-6-12)9-20-22-16-13-7-11(18)8-14(19)15(13)21-17(16)24/h3-9H,1-2H3,(H,21,22,24)/b20-9+	C17H14Cl2N4O	361.225	5	1	57.06	3	3	0	0.9318	4.56637	2.56	4.551	47.1182	104.2927	2.4938	303.190096005029
Cond-010563	NSC328166	328166	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	CC12C34C(C5C(C(C3)O)(O5)C)OC(C31CO3)CC2OC(=O)/C=C/C=C/C(=O)OCCC(C(C(=O)OC4)O)C	InChI=1S/C27H34O11/c1-14-8-9-33-18(29)6-4-5-7-19(30)36-16-10-17-27(13-35-27)25(16,3)26(12-34-23(32)20(14)31)11-15(28)24(2)21(38-24)22(26)37-17/h4-7,14-17,20-22,28,31H,8-13H2,1-3H3/b6-4+,7-5+	C27H34O11	534.552	11	2	153.65	6	0	1	-1.9164	0.43887	3.22	0.715	124.103	128.9716	3.692	484.919491596575
Cond-010564	NSC328426	328426	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.2063552113662	C(=C\C(=O)OC1C(COC2(C1)C1(CO1)C1C(O2)CC(CC1)C(=O)OC1C(C(C(C(O1)C)O)OC(=O)C)OC1OC(C(C(OC(=O)C)C1O)O)C)C)/c1ccccc1	InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+	C40H52O17	804.831	17	3	224.57	7	13	2	-2.5063	1.36368	3.99	3.573	161.0536	193.1514	5.63830000000001	731.342817133004
Cond-010565	NSC328477	328477	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.7257594454507	c1ccc(c(c1N(=O)=O)O)C(=O)Nc1c(c(ccc1)Cl)C	InChI=1S/C14H11ClN2O4/c1-8-10(15)5-3-6-11(8)16-14(19)9-4-2-7-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)	C14H11ClN2O4	306.701	6	2	92.47	2	4	0	0.9513	3.71631	2.23	4.574	25.0138	83.2105	2.0768	255.461151443945
Cond-010566	NSC328587	328587	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	87.6344075997495	O1N=C2CC(CC3=NO[Se]1=C23)(C)C	InChI=1S/C8H10N2O2Se/c1-8(2)3-5-7-6(4-8)10-12-13(7)11-9-5/h3-4H2,1-2H3	C8H10N2O2Se	245.137	4	0	43.18	3	0	0	0.2239	1.58257	1.79	2.511	43.0706	52.621	1.3535	166.966927545722
Cond-010567	NSC329277	329277	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	72.4910664999679	c1ccc(c(c1OCC)O)/C=N/N=C/1\C(=O)Nc2c1cc(cc2Cl)Cl	InChI=1S/C17H13Cl2N3O3/c1-2-25-13-5-3-4-9(16(13)23)8-20-22-15-11-6-10(18)7-12(19)14(11)21-17(15)24/h3-8,23H,2H2,1H3,(H,21,22,24)/b20-8+	C17H13Cl2N3O3	378.209	6	2	83.28	3	4	0	0.4523	4.60467	2.45	3.968	47.001	102.7995	2.5114	309.773789197985
Cond-010568	NSC329279	329279	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	7.05347730618182	c1ccc(o1)/C=N/N=C/1\C(=O)Nc2c1cc(cc2Cl)Cl	InChI=1S/C13H7Cl2N3O2/c14-7-4-9-11(10(15)5-7)17-13(19)12(9)18-16-6-8-2-1-3-20-8/h1-6H,(H,17,18,19)/b16-6+	C13H7Cl2N3O2	308.12	5	1	66.96	3	2	0	0.5599	4.09337	2.12	3.562	34.4459	82.2317	1.9321	234.436082694756
Cond-010569	NSC329279	329279	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.1638580157724	c1ccc(o1)/C=N/N=C/1\C(=O)Nc2c1cc(cc2Cl)Cl	InChI=1S/C13H7Cl2N3O2/c14-7-4-9-11(10(15)5-7)17-13(19)12(9)18-16-6-8-2-1-3-20-8/h1-6H,(H,17,18,19)/b16-6+	C13H7Cl2N3O2	308.12	5	1	66.96	3	2	0	0.5599	4.09337	2.12	3.562	34.4459	82.2317	1.9321	234.436082694756
Cond-010570	NSC32946	32946	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.3939437019856	C(=N)(N)N/N=C/C(=N/NC(=N)N)/C.Cl	InChI=1S/C5H12N8.ClH/c1-3(11-13-5(8)9)2-10-12-4(6)7;/h2H,1H3,(H4,6,7,12)(H4,8,9,13);1H/b10-2+,11-3+;	C5H13ClN8	220.663	8	8	148.52	0	5	1	-0.5084	-1.79065	1.13	1.199	41.9647	54.0016	1.4395	172.464628692267
Cond-010571	NSC329696	329696	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.8518561192651	O(C(=O)/C(=C/C)/C)C1C2C(OC(=O)C2=C)/C=C(\C)/C(=O)CC2C(C1)(C)OC(O2)(C)C	InChI=1S/C23H30O7/c1-8-12(2)20(25)28-17-11-23(7)18(29-22(5,6)30-23)10-15(24)13(3)9-16-19(17)14(4)21(26)27-16/h8-9,16-19H,4,10-11H2,1-3,5-7H3/b12-8+,13-9+	C23H30O7	418.48	7	0	88.13	3	3	0	2.1359	3.19406	3.22	2.695	109.1594	110.694	3.1764	415.007563692463
Cond-010572	NSC32982	32982	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	78.9239810213932	c1(c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c1ccc(c(c1)OC)O)O)OC	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	C21H20O6	368.38	6	2	93.06	2	8	0	-0.794800000000001	3.23837	3.11	2.847	55.489	103.1356	2.7725	351.635991637768
Cond-010573	NSC32992	32992	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	87.0825499973045	O=c1c(ccc2c3c(c(c(OC4OC(C(C(C4O)O)O)CO)cc3CCC(c2c1)NC(=O)C)OC)OC)OC	InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)	C27H33NO11	547.551	12	5	173.24	4	8	0	-3.0686	-0.340239999999997	3.11	-0.344	114.0803	137.6669	3.88000000000001	501.819793103942
Cond-010574	NSC32992	32992	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	54.6613994241885	O=c1c(ccc2c3c(c(c(OC4OC(C(C(C4O)O)O)CO)cc3CCC(c2c1)NC(=O)C)OC)OC)OC	InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)	C27H33NO11	547.551	12	5	173.24	4	8	0	-3.0686	-0.340239999999997	3.11	-0.344	114.0803	137.6669	3.88000000000001	501.819793103942
Cond-010575	NSC33004	33004	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	101.857287719485	c1cc(c2nc3ccccc3s2)ccc1O	InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H	C13H9NOS	227.282	2	1	61.36	3	1	0	0.1303	4.49308	2.56	3.526	10.3581	71.065	1.6355	183.475682795395
Cond-010576	NSC33006	33006	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.854579489616	c1cc(c2nc3ccccc3s2)ccc1NC(=O)C	InChI=1S/C15H12N2OS/c1-10(18)16-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)19-15/h2-9H,1H3,(H,16,18)	C15H12N2OS	268.334	3	1	70.23	3	3	0	-0.0343000000000002	5.20927	2.67	3.735	20.6594	84.7707	1.9741	226.427953554495
Cond-010577	NSC330500	330500	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	c1c(cc2c(c1C(C(CC(C(C(/C=C(\C(C(/C=C\C=C(\C(=O)N2)/C)C)OC(=O)N)/C)C)OC)OC)C)OC)O)O	InChI=1S/C30H44N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12-	C30H44N2O8	560.679	10	5	149.57	2	5	0	0.955599999999995	4.43926000000001	3.66	2.128	126.48	156.9159	4.4436	563.046744489625
Cond-010578	NSC330515	330515	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.370377614215	CC1Cc2cc(c(c(c2c2c(cc(c(c2OC)OC)OC)CC1C)O)OC)OC	InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3	C23H30O6	402.481	6	1	66.38	3	5	0	0.189899999999999	4.89199000000001	3.33	4.037	65.7234	115.342	3.1177	384.417336991902
Cond-010579	NSC330516	330516	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O(c1c2OCOc2cc2c1c1c(OC)c(OC)c(OC)cc1C(C(C(C2)C)(C)O)OC(=O)c1ccccc1)C	InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3	C30H32O9	536.57	9	1	101.91	5	7	0	-0.502500000000001	5.63527000000001	3.77	4.763	70.3149	149.5488	3.8909	485.701157269853
Cond-010580	NSC330753	330753	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	[C@]12(C(C(=C([C@H](C1)O)C)[C@H](C(=O)[C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@H](OC2)C[C@@H]1O)OC(=O)C)C)OC(=O)C)(C)C)O	InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1	C31H38O11	586.627	11	3	165.89	5	7	1	-1.1309	1.54718	3.66	1.155	116.6795	147.4704	4.2352	547.650512698441
Cond-010581	NSC330770	330770	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.7334013738548	O(C(=O)Nc1nc(c2c(c1)NCC(=N2)c1ccccc1)N)CC	InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-8,18H,2,9H2,1H3,(H3,17,20,21,22)	C16H17N5O2	311.338	7	4	101.63	3	5	0	-1.209	3.27946	2.45	2.876	37.4705	95.3758	2.3096	277.895421447823
Cond-010582	NSC331757	331757	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.134500845948	c1ccc2c(c1)C(=O)c1c(C2=O)ccc(c1)C(=O)NC(C)CCCN(CC)CC.Cl	InChI=1S/C24H28N2O3.ClH/c1-4-26(5-2)14-8-9-16(3)25-24(29)17-12-13-20-21(15-17)23(28)19-11-7-6-10-18(19)22(20)27;/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,25,29);1H	C24H29ClN2O3	428.952	5	1	66.48	3	9	0	-1.0073	3.67069	3.55	4.554	60.8445	116.7207	3.1531	389.426785830019
Cond-010583	NSC332598	332598	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.705817341896	c1(nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@H](OC)[C@H](C)[C@H]1C[C@@H](O)[C@@]2([C@@H](O2)/C=C/[C@@H](C)[C@@H]2C[C@@H](CC(=O)O2)C[C@@H]2[C@H](O2)C(=O)O1)C)C	InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22-,24-,26+,27-,28-,29-,30+,32-,33+,35-/m1/s1	C35H47NO9	625.749	10	1	133.15	5	7	0	1.57249999999999	5.05467000000001	4.21	4.039	151.0417	167.2978	4.78120000000001	610.250758008951
Cond-010584	NSC333856	333856	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.403369932858	O=C1C23C(C(O)C=C(C3)C=O)/C=C(/C)\C(OC3CC(N(=O)=O)(C)C(C(O3)C)NC(=O)OC)C/C=C(\C3C(/C(=C\1/C(=O)O2)/O)(C)C1C(C(OC2CC(OC4OC(C)C(CC4)OC4CC(O)C(C(O4)C)OC4OC(C)C(CC4)O)C(C(O2)C)OC(=O)C)C(CC1C)C)C=C3)/C	InChI=1S/C67H96N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23-24,29,32-38,41-54,56-60,72-75H,17-22,25-28H2,1-13H3,(H,68,78)/b30-14-,31-23-,61-55-	C67H96N2O24	1313.48	26	5	341.43	10	17	3	-2.1457	6.08424000000001	5.97	5.074	310.6781	328.9599	9.59830000000003	1247.78075714688
Cond-010585	NSC33410	33410	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.403609016813	O=c1c(ccc2c3c(c(c(cc3CC[C@@H](c2c1)NC(=O)c1ccccc1)OC)OC)OC)OC	InChI=1S/C27H27NO6/c1-31-22-13-11-18-19(15-21(22)29)20(28-27(30)16-8-6-5-7-9-16)12-10-17-14-23(32-2)25(33-3)26(34-4)24(17)18/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1	C27H27NO6	461.506	7	1	83.09	4	7	0	-0.923100000000002	3.78356	3.66	4.029	80.9938	129.9152	3.4575	439.059283498736
Cond-010586	NSC335142	335142	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	77.6264800192307	c1ccc2c(c1)c1c([nH]2)c(c2c(c1C)c(C(=O)N)ncc2)C.Cl	InChI=1S/C18H15N3O.ClH/c1-9-11-7-8-20-17(18(19)22)14(11)10(2)15-12-5-3-4-6-13(12)21-16(9)15;/h3-8,21H,1-2H3,(H2,19,22);1H	C18H16ClN3O	325.792	4	3	71.77	4	1	0	0.2288	3.02534	3	2.835	21.7457	91.9304	2.1815	244.910726181062
Cond-010587	NSC336628	336628	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.7741943001879	c1(ccccc1)NC(=O)c1c(=O)[nH]c(=S)[nH]c1O	InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)	C11H9N3O3S	263.272	6	4	122.55	2	3	0	-0.3217	1.15917	1.9	3.256	39.7336	71.8189	1.7793	222.614146061917
Cond-010588	NSC337612	337612	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.52447893265	c1ccc2c(c1)C(=O)c1c2n(c(=O)c2c1cccc2)Cc1ccccc1	InChI=1S/C23H15NO2/c25-22-18-12-6-5-11-17(18)21-20(22)16-10-4-7-13-19(16)23(26)24(21)14-15-8-2-1-3-9-15/h1-13H,14H2	C23H15NO2	337.371	3	0	37.38	5	2	1	-1.0616	3.74448	3.66	7.179	25.9259	100.7555	2.5075	308.821520791424
Cond-010589	NSC337766	337766	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	100.506829263286	c1ccc2c(c1)c(c1c(c2/C=N\NC2=NCCN2)cccc1)/C=N\NC1=NCCN1.Cl	InChI=1S/C22H22N8.ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);1H/b27-13-,28-14-;	C22H23ClN8	434.925	8	4	97.56	5	6	1	-1.4094	1.65609	3	7.504	55.9766	124.3378	2.9908	353.558862922402
Cond-010590	NSC337851	337851	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.68592115756	O=C1C=C[C@@]2([C@H]3C(=O)C[C@]4([C@@H](CC[C@@]4(C(=O)COC(=O)CSc4c5ccc(cc5nc5c4ccc(c5)N(C)C)N(C)C)O)[C@@H]3CCC2=C1)C)C	InChI=1S/C40H45N3O6S/c1-38-15-13-26(44)17-23(38)7-10-27-30-14-16-40(48,39(30,2)20-33(45)36(27)38)34(46)21-49-35(47)22-50-37-28-11-8-24(42(3)4)18-31(28)41-32-19-25(43(5)6)9-12-29(32)37/h8-9,11-13,15,17-19,27,30,36,48H,7,10,14,16,20-22H2,1-6H3/t27-,30-,36+,38-,39-,40-/m0/s1	C40H45N3O6S	695.867	9	1	142.41	7	9	0	0.444799999999998	5.86695000000001	4.76	3.915	140.977	195.944799999999	5.24050000000001	651.167334604933
Cond-010591	NSC338259	338259	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	79.2676472030853	O1c2c(OC1)cc1c3cc(cc4c3[n+](CC4)cc1c2)O.[Cl-]	InChI=1S/C16H11NO3.ClH/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17;/h3-7H,1-2,8H2;1H	C16H12ClNO3	301.724	4	1	42.57	5	0	0	-1.9397	4.34257	2.78	1.889	19.2007	80.864	1.8164	211.040377965317
Cond-010592	NSC338720	338720	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	78.2421726792984	ClC(Cl)(Cl)c1c(Cl)c(OC)c(c(n1)OC)Cl	InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3	C8H6Cl5NO2	325.404	3	0	31.35	1	3	0	3.0732	4.3511	1.46	3.114	46.8018	67.127	1.8274	220.391053365989
Cond-010593	NSC339004	339004	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0194524302625	c1(ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl)N	InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)	C14H11ClN4O2S	334.781	6	3	106.35	3	3	0	-0.9421	4.18537	2.12	2.178	20.9793	83.1911	2.2139	255.126783815956
Cond-010594	NSC343513	343513	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.830676753648	Fc1ccc(cc1)C(C1CCN(CC1)CCCC(=O)c1ccc(cc1)F)O	InChI=1S/C22H25F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18,22,27H,1-2,11-15H2	C22H25F2NO2	373.436	3	1	40.54	3	7	0	-0.902400000000001	4.00059	3.33	4.598	46.1749	102.7318	2.8342	352.45586477177
Cond-010595	NSC34391	34391	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	72.1601067629541	[I-].n1(c2ccccc2/c(=C/C=C/c2c3ccccc3[n+](cc2)CC)/cc1)CC	InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1	C25H25IN2	480.384	2	0	7.12	4	4	1	-0.0385000000000009	6.35866000000001	3.99	8.087	51.8564	116.279	2.9448	353.140943602202
Cond-010596	NSC345081	345081	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4152044518745	o1ccc2c1c(OP(=O)(N(CCCl)CCCl)N)c1c(c2)ccc(=O)o1	InChI=1S/C15H15Cl2N2O5P/c16-4-6-19(7-5-17)25(18,21)24-15-13-11(3-8-22-13)9-10-1-2-12(20)23-14(10)15/h1-3,8-9H,4-7H2,(H2,18,21)	C15H15Cl2N2O5P	405.17	7	2	104.81	3	7	0	0.4648	3.30116	2.01	1.967	61.5426	97.8349	2.5808	309.502142649607
Cond-010597	NSC345647	345647	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1c(c(c2c(cc(c3c2cc2c(c3O)C(=O)C(C(O2)C)C)O)O)c2c(c1O)c(c1c(c2)OC(C(C1=O)C)C)O)O	InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3	C30H26O10	546.521	10	6	173.98	6	1	1	-3.0062	5.85097	3.66	-0.0919999999999999	66.6192	152.7917	3.75500000000001	465.962007868013
Cond-010598	NSC347466	347466	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	96.3245375600154	O=[Se](O)O.[Na+]	InChI=1S/Na.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+1;	H2NaO3Se+	151.964	3	2	57.53	0	0	0	-0.2559	-1.6136	1.02	-0.235	5.9985	10.8781	0.4972	57.7380503270166
Cond-010599	NSC34757	34757	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.475232580878	O=c1c2c(c3OCOc3c(c2n(c2c1cccc2)C)OC)OC	InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3	C17H15NO5	313.305	6	0	57.23	4	2	0	-0.5546	3.74107	2.67	1.908	36.0444	89.113	2.1618	267.855045342706
Cond-010600	NSC349155	349155	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.2670576664297	c1c2c(cc3c1OCO3)C(=O)NC1C(C(C(C=C21)O)O)O	InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)	C14H13NO6	291.256	7	4	108.25	4	0	0	-2.2478	-0.70653	2.23	-0.14	45.2975	73.8371	1.8838	240.930235567267
Cond-010601	NSC349156	349156	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	81.4379249187686	O1c2c(OC1)cc1[C@H]3[C@H]([C@@H]([C@H]([C@H]([C@@H]3NC(=O)c1c2O)O)O)O)O.*	InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1	C14H15NO8	325.271	9	6	148.71	4	0	1	-3.7971	-1.75712	2.01	-1.535	47.5289	77.3347000000001	2.0442	261.147147669189
Cond-010602	NSC34931	34931	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	125.370069620752	c1c(cc(c(c1)/C=C/c1ccc(cc1S(=O)(=O)O)/N=N/c1c(c2c(c(c1)S(=O)(=O)O)cccc2)O)S(=O)(=O)O)/N=N/c1c(c2c(c(c1)S(=O)(=O)O)cccc2)O.[Na+]	InChI=1S/C34H24N4O14S4.Na/c39-33-25-7-3-1-5-23(25)31(55(47,48)49)17-27(33)37-35-21-13-11-19(29(15-21)53(41,42)43)9-10-20-12-14-22(16-30(20)54(44,45)46)36-38-28-18-32(56(50,51)52)24-6-2-4-8-26(24)34(28)40;/h1-18,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);/q;+1/b10-9+,37-35+,38-36+;	C34H24N4NaO14S4+	863.823	18	6	340.9	6	10	3	-2.6188	9.51843999999998	2.78	5.314	59.1254	187.5568	5.30560000000001	648.074779331189
Cond-010603	NSC349438	349438	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	100.79801537855	c1occc1C(=O)CCC(O)C	InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3	C9H12O3	168.19	3	1	50.44	1	4	0	-1.1305	1.59169	2.12	0.459	26.2871	46.9748	1.3152	159.425165632083
Cond-010604	NSC349644	349644	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	30.380116138045	O=C1C(=C(C(=O)C2=C1C1N3CCOC3C3C4N(C(C3)C(N(C14)C2CO)C#N)C)OC)C	InChI=1S/C22H26N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27H,4-6,8H2,1-3H3	C22H26N4O5	426.466	9	1	106.34	6	2	0	-0.765799999999999	-1.04593	2.89	-1.814	109.4685	107.3088	2.9915	387.048790395741
Cond-010605	NSC351306	351306	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.0526310183893	Cc1ccc(cc1)S(=O)(=O)O/N=C\1/CC(c2ccccc2)N(C)C(C1)c1ccccc1	InChI=1S/C25H26N2O3S/c1-19-13-15-23(16-14-19)31(28,29)30-26-22-17-24(20-9-5-3-6-10-20)27(2)25(18-22)21-11-7-4-8-12-21/h3-16,24-25H,17-18H2,1-2H3	C25H26N2O3S	434.551	5	0	67.35	4	5	1	0.2279	4.9655	3.55	7.692	46.5859	117.449	3.30590000000001	399.338877111886
Cond-010606	NSC352876	352876	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	103.718724114037	C1Oc2c(O1)cc(c(c2)OCCO)C(c1cc(OC)c(OC)c(c1)OC)C	InChI=1S/C20H24O7/c1-12(13-7-18(22-2)20(24-4)19(8-13)23-3)14-9-16-17(27-11-26-16)10-15(14)25-6-5-21/h7-10,12,21H,5-6,11H2,1-4H3	C20H24O7	376.4	7	1	75.61	3	8	0	-0.644099999999999	4.00359	2.89	2.18	52.333	102.2218	2.7537	341.319609814863
Cond-010607	NSC352890	352890	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	66.0991801397832	n1cnc2c(c1N)[nH]cc2C1OC(C(C1O)O)CO.Cl	InChI=1S/C11H14N4O4.ClH/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10;/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15);1H	C11H15ClN4O4	302.714	8	6	137.51	3	2	0	-2.8953	-1.669	1.79	-2.065	35.1388	65.9758	1.7947	208.545026314645
Cond-010608	NSC353527	353527	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	65.8861707975914	N(CC)(CC)CC.[Sn](=[Cl])(=C1CCCCC1)(=C1CCCCC1)(=C1CCCCC1)/[O]=C(/Nc1ccc(cc1)OCC)\[N-]C#N	InChI=1S/C10H11N3O2.C6H15N.3C6H10.ClH.Sn/c1-2-15-9-5-3-8(4-6-9)13-10(14)12-7-11;1-4-7(5-2)6-3;3*1-2-4-6-5-3-1;;/h3-6H,2H2,1H3,(H2,12,13,14);4-6H2,1-3H3;3*1-5H2;1H;/p-1	C34H55ClN4O2Sn-	705.98	6	0	36.26	4	12	1	NA	-0.480939999999997	4.32	NA	NA	134.45	4.0998	NA
Cond-010609	NSC353527	353527	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.04842700837063	N(CC)(CC)CC.[Sn](=[Cl])(=C1CCCCC1)(=C1CCCCC1)(=C1CCCCC1)/[O]=C(/Nc1ccc(cc1)OCC)\[N-]C#N	InChI=1S/C10H11N3O2.C6H15N.3C6H10.ClH.Sn/c1-2-15-9-5-3-8(4-6-9)13-10(14)12-7-11;1-4-7(5-2)6-3;3*1-2-4-6-5-3-1;;/h3-6H,2H2,1H3,(H2,12,13,14);4-6H2,1-3H3;3*1-5H2;1H;/p-1	C34H55ClN4O2Sn-	705.98	6	0	36.26	4	12	1	NA	-0.480939999999997	4.32	NA	NA	134.45	4.0998	NA
Cond-010610	NSC354844	354844	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	c1c(cc2c(c1OC)c1c(oc2=O)c2c(c(c1)OC)c(ccc2C1OC(C(C(C1O)(O)C)O)C)O)C=C	InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3	C28H28O9	508.517	9	4	134.91	5	4	0	-1.4782	3.88707000000001	3.55	2.972	70.4738	141.5812	3.60910000000001	451.109188018119
Cond-010611	NSC35489	35489	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.054315468828	[I-].[n+]1(ccc2ccccc2c1)CC(=O)c1cc2c(cc1)ccc1c2cccc1	InChI=1S/C25H18NO.HI/c27-25(17-26-14-13-18-5-1-2-7-22(18)16-26)21-12-11-20-10-9-19-6-3-4-8-23(19)24(20)15-21;/h1-16H,17H2;1H/q+1;/p-1	C25H18INO	475.321	2	0	20.95	5	3	1	-1.9095	5.28499	3.99	9.337	9.908	112.949	2.7091	311.505033992196
Cond-010612	NSC357683	357683	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.937087970571	OC12C3C(C=C2)C(OC1=O)OC(=C3)C(=O)N	InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)	C10H9NO5	223.182	6	3	98.85	3	1	0	-1.3446	-1.11173	1.9	-0.712	49.738	52.0152	1.4131	188.848987764839
Cond-010613	NSC35866	35866	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2228648184242	n1c(SCCc2ccccc2)c2[nH]cnc2nc1N	InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)	C13H13N5S	271.341	5	3	105.78	3	4	0	-0.3125	3.00357	2.23	3.706	24.4796	80.5214	1.976	218.672496927501
Cond-010614	NSC359463	359463	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	101.911582953589	N(CC)(CC)Cc1c(ccc(c1)/N=N\c1c(ccc2c1ccc(c2/N=N\c1ccc(c(c1)CN(CC)CC)O)O)O)O.Cl	InChI=1S/C32H38N6O4.ClH/c1-5-37(6-2)19-21-17-23(9-13-27(21)39)33-35-31-25-11-16-30(42)32(26(25)12-15-29(31)41)36-34-24-10-14-28(40)22(18-24)20-38(7-3)8-4;/h9-18,39-42H,5-8,19-20H2,1-4H3;1H/b35-33-,36-34-;	C32H39ClN6O4	607.143	10	4	136.84	4	12	2	-0.3808	8.51416999999999	3.88	6.516	65.4408	173.0008	4.4576	535.86963686618
Cond-010615	NSC35949	35949	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.821631747874	[nH]1c2ccccc2c(c1)C(c1c2c([nH]c1)cccc2)Cc1c(N2CCS(=O)(=O)CC2)cccc1	InChI=1S/C28H27N3O2S/c32-34(33)15-13-31(14-16-34)28-12-6-1-7-20(28)17-23(24-18-29-26-10-4-2-8-21(24)26)25-19-30-27-11-5-3-9-22(25)27/h1-12,18-19,23,29-30H,13-17H2	C28H27N3O2S	469.598	5	2	77.34	6	5	1	-1.0161	6.75108000000001	3.88	6.283	45.5227	142.207	3.5095	404.283988394692
Cond-010616	NSC360861	360861	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.390815948888	CC12C3C4(CC(CC3)C(=C4)CO)CCC1C(C(=O)OC)(C)CCC2	InChI=1S/C21H32O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h12,14,16-17,22H,4-11,13H2,1-3H3	C21H32O3	332.477	3	1	46.53	4	3	0	0.428599999999997	4.26098000000001	3.44	4.826	93.2094	96.2108000000001	2.7232	343.444063740885
Cond-010617	NSC361813	361813	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(CC1)CN1C(=O)C2C(C1=O)C1C=CC2C2C1C1C2C(=O)N(C1=O)CN1CCN(CC1)C)C	InChI=1S/C26H36N6O4/c1-27-5-9-29(10-6-27)13-31-23(33)19-15-3-4-16(20(19)24(31)34)18-17(15)21-22(18)26(36)32(25(21)35)14-30-11-7-28(2)8-12-30/h3-4,15-22H,5-14H2,1-2H3	C26H36N6O4	496.602	10	0	87.72	5	4	0	-1.4036	-1.17952	3.22	-2.208	133.0134	131.613	3.6304	459.716022614981
Cond-010618	NSC363182	363182	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.1373404193325	OC1=C2C(=O)OC31C(C=C(C(C3)C)CO)/C=C(/C)\C(OC1CC(N(=O)=O)(C)C(C(O1)C)NC(=O)OC)C/C=C(\C1C(C2=O)(C)C2C(C(OC3CC(OC4CC(O)C(C(O4)C)OC4CC(O)C(C(O4)C)OC)C(C(O3)C)O)C(CC2C)C)C=C1)/C	InChI=1S/C61H90N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,29-35,37-47,49-54,64-67,69H,17-18,21-26H2,1-13H3,(H,62,71)/b27-14-,28-19-	C61H90N2O21	1187.37	23	6	309.06	9	14	3	-1.13670000000001	4.66084000000001	5.64	3.897	288.8319	300.940699999999	8.77140000000003	1135.26354539239
Cond-010619	NSC36354	36354	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.8907796047549	O=c1cc2[C@H](CCc3cc(c(c(c3c2ccc1OC)OC)OC)OC)N.[C@@H]([C@@H](O)C(=O)O)(C(=O)O)O	InChI=1S/C20H23NO5.C4H6O6/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12;5-1(3(7)8)2(6)4(9)10/h6,8-10,14H,5,7,21H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-;1-,2-/m01/s1	C24H29NO11	507.487	6	2	80.01	3	4	0	-1.0382	2.31226	3	1.007	77.7744	100.1944	2.6931	342.999457921107
Cond-010620	NSC363744	363744	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CN1C(C/C(=N/O)/CC1c1ccccc1)c1ccccc1	InChI=1S/C18H20N2O.C10H16O4S/c1-20-17(14-8-4-2-5-9-14)12-16(19-21)13-18(20)15-10-6-3-7-11-15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-11,17-18,21H,12-13H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)	C28H36N2O5S	512.661	3	1	35.83	3	2	1	-0.1376	3.71319	3.11	5.621	33.3698	85.4477000000001	2.2763	273.343342075295
Cond-010621	NSC363998	363998	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cc(c2c(c1)C(=O)c1c(C2=O)cccc1NCCCNCCO)NCCCNCCO.Cl	InChI=1S/C24H32N4O4.ClH/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30;/h1-2,5-8,25-30H,3-4,9-16H2;1H	C24H33ClN4O4	476.996	8	6	122.72	3	14	2	-3.613	1.79828	3.22	0.476	72.542	129.1379	3.4544	422.846991647714
Cond-010622	NSC36437	36437	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.044915636947	C1C(C2C(=C)C(=O)OC(C2)C(CC/C=C(\CC/C=C/1\C)/C)(O)C)OC(=O)C	InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+	C22H32O5	376.486	5	1	72.83	2	2	0	2.6026	4.02616000000001	3.33	3.571	103.8728	106.3368	3.0697	395.124043067075
Cond-010623	NSC36693	36693	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.186507850755	C1(=O)C2(CCCC3(C2C(CC(C3(CCc2ccoc2)O)C)O1)C)C	InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1	C20H28O4	332.434	4	1	59.67	4	3	0	-0.0834999999999981	3.95509	3.22	3.241	71.1479	92.4378000000001	2.598	321.40184711478
Cond-010624	NSC36826	36826	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.725145898734	n1c(SCc2c(Cl)cccc2)c2[nH]cnc2nc1N	InChI=1S/C12H10ClN5S/c13-8-4-2-1-3-7(8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)	C12H10ClN5S	291.759	5	3	105.78	3	3	0	0.1762	3.27497	2.01	2.6	25.6434	79.9084	1.9575	216.587580072067
Cond-010625	NSC369317	369317	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.437087792942	Fc1ccc(cc1)NC(=S)C#N	InChI=1S/C8H5FN2S/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,(H,11,12)	C8H5FN2S	180.202	2	1	67.91	1	2	0	0.7787	2.75488	1.9	2.014	22.5035	49.9947	1.25	154.419228126373
Cond-010626	NSC369318	369318	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	105.427152725292	c1(cc(c(cc1)NC(=S)C#N)C)C	InChI=1S/C10H10N2S/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,1-2H3,(H,12,13)	C10H10N2S	190.265	2	1	67.91	1	2	0	1.583	2.72653	2.23	2.701	32.6352	57.5827	1.5141	182.9436385278
Cond-010627	NSC371846	371846	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4835330441053	c1(cc2c(cc1)c1c(CC2)c(n[nH]1)c1n[nH]c2c1CCc1c2ccc(c1)OC)OC	InChI=1S/C24H22N4O2/c1-29-15-5-9-17-13(11-15)3-7-19-21(17)25-27-23(19)24-20-8-4-14-12-16(30-2)6-10-18(14)22(20)26-28-24/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,27)(H,26,28)	C24H22N4O2	398.457	6	2	75.82	6	3	1	-0.694800000000001	4.74517000000001	3.44	5.18	40.6932	121.601	2.9252	341.124244742591
Cond-010628	NSC37364	37364	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9437111121646	n1c(c2[nH]cnc2nc1N)OC	InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	C6H7N5O	165.153	6	3	89.71	2	1	0	-1.2221	0.67737	1.46	-0.613	14.8379	46.2034	1.1225	119.047641992595
Cond-010629	NSC373853	373853	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.3900273913348	c1ccc2c(c1)S(=O)(=O)N=C(N2C)Cl	InChI=1S/C8H7ClN2O2S/c1-11-6-4-2-3-5-7(6)14(12,13)10-8(11)9/h2-5H,1H3	C8H7ClN2O2S	230.671	4	0	58.12	2	0	0	-0.4417	2.35857	1.68	2.407	28.9743	52.254	1.4495	174.059649148422
Cond-010630	NSC374898	374898	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.8031208977025	c1ccc2c(c1)cc(c(c2/N=N\c1ccccc1O)O)C(=O)Nc1c(cc(cc1)C)C	InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)/b28-27-	C25H21N3O3	411.453	6	3	94.28	4	5	1	-0.2714	6.49562000000001	3.55	7.851	23.5749	123.9163	3.1132	373.017237160052
Cond-010631	NSC375294	375294	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.3313782854511	CC12C3=C(CCC1C(C)(C)CCC2)C(=O)OC3	InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3	C15H22O2	234.334	2	0	26.3	3	0	0	1.2074	3.62628	2.89	4.264	66.3689	69.421	1.9277	243.234387985922
Cond-010632	NSC375575	375575	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.5698910196368	[C@@H]1(n2c(=O)nc(cc2)N)C=C([C@H]([C@H]1O)O)CO	InChI=1S/C10H13N3O4/c11-7-1-2-13(10(17)12-7)6-3-5(4-14)8(15)9(6)16/h1-3,6,8-9,14-16H,4H2,(H2,11,12,17)/t6-,8-,9+/m1/s1	C10H13N3O4	239.228	7	5	119.38	2	2	0	-2.6474	-2.33634	1.79	-1.922	57.1246	62.0968	1.6626	214.408740181411
Cond-010633	NSC376248	376248	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.118674496999	O(c1c2CCC(Oc2c2c(c1)oc1c3c2cc(oc3cc(=O)c1)c1ccccc1)c1ccccc1)C	InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3	C31H22O5	474.503	5	0	53.99	7	3	1	-1.1277	6.71063	4.32	8.02	65.3611	139.274	3.4078	432.577482888675
Cond-010634	NSC376265	376265	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	75.7402979591472	c1cccc(n1)/C(=N/NC(=S)N1CCN(CC1)C1CCCCCC1)/C	InChI=1S/C19H29N5S/c1-16(18-10-6-7-11-20-18)21-22-19(25)24-14-12-23(13-15-24)17-8-4-2-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3,(H,22,25)/b21-16+	C19H29N5S	359.532	5	1	75.85	3	5	1	-1.5431	3.42569	2.89	5.093	72.5753	107.8587	2.9074	349.521322084302
Cond-010635	NSC376791	376791	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.788647292811	N1C(C(=O)N(C1=O)CCCCCCN1C(=O)NC(C1=O)(C)C)(C)C	InChI=1S/C16H26N4O4/c1-15(2)11(21)19(13(23)17-15)9-7-5-6-8-10-20-12(22)16(3,4)18-14(20)24/h5-10H2,1-4H3,(H,17,23)(H,18,24)	C16H26N4O4	338.402	8	2	98.82	2	7	0	-1.443	0.80559	2.34	1	78.375	89.9694	2.6078	329.181408144779
Cond-010636	NSC377	377	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	72.5683343377788	O=C1C(=C(C(=O)c2c1cccc2)O)CCCc1ccc(Oc2ccccc2)cc1	InChI=1S/C25H20O4/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)29-18-8-2-1-3-9-18/h1-5,8-11,13-16,28H,6-7,12H2	C25H20O4	384.424	4	1	63.6	4	6	1	-1.1358	6.08827	3.77	8.042	35.6575	115.4663	2.9155	362.353641936913
Cond-010637	NSC379531	379531	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	88.6314773585086	Clc1c(Cl)cc(cc1)NC(=S)C#N	InChI=1S/C8H4Cl2N2S/c9-6-2-1-5(3-7(6)10)12-8(13)4-11/h1-3H,(H,12,13)	C8H4Cl2N2S	231.102	2	1	67.91	1	2	0	1.7876	3.92258	1.79	2.247	32.8622	60.0567	1.4771	178.773804816934
Cond-010638	NSC382007	382007	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	98.2013730393102	c1ccc(c(c1)Cl)C(=O)C(=C)CN(C)C.Cl	InChI=1S/C12H14ClNO.ClH/c1-9(8-14(2)3)12(15)10-6-4-5-7-11(10)13;/h4-7H,1,8H2,2-3H3;1H	C12H15Cl2NO	260.16	2	0	20.31	1	4	0	1.2218	2.53508	2.45	2.6	38.8923	66.228	1.7567	214.667576685561
Cond-010639	NSC382766	382766	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.671074087465	c1(ccc(cc1)/C=C/C(=O)C(C)(C)CN(CC)CC)C.Br	InChI=1S/C18H27NO.BrH/c1-6-19(7-2)14-18(4,5)17(20)13-12-16-10-8-15(3)9-11-16;/h8-13H,6-7,14H2,1-5H3;1H/b13-12+;	C18H28BrNO	354.325	2	0	20.31	1	7	1	2.3837	3.7161	3.22	5.512	62.3075	87.8730000000001	2.4797	303.232416670329
Cond-010640	NSC383468	383468	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.5080990628923	C1C(C(C2C(C1)(C(C(=C)CC2)C/C=C/1\C(=O)OCC1O)C)(C)CO)O	InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-	C20H30O5	350.449	5	3	86.99	3	3	0	-0.3281	2.04887	3.11	2.913	93.9955	96.2634000000001	2.7653	353.448532516141
Cond-010641	NSC3852	3852	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.728467773447	n1c2c(ccc(c2ccc1)N=O)O	InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H	C9H6N2O2	174.156	4	1	62.55	2	1	0	-0.4836	2.75668	2.01	1.389	4.0075	51.158	1.2185	141.462624544656
Cond-010642	NSC38721	38721	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	9.07863499753901	Clc1c(cccc1)[C@H](c1ccc(Cl)cc1)C(Cl)Cl	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H	C14H10Cl4	320.041	0	0	0	2	3	1	2.6539	5.9123	2.56	6.578	30.186	79.314	2.0956	249.212844938267
Cond-010643	NSC38721	38721	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	80.2806290893169	Clc1c(cccc1)[C@H](c1ccc(Cl)cc1)C(Cl)Cl	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H	C14H10Cl4	320.041	0	0	0	2	3	1	2.6539	5.9123	2.56	6.578	30.186	79.314	2.0956	249.212844938267
Cond-010644	NSC3905	3905	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.248338441635	n1c(c2nc(c3ncccc3)ccc2)cccc1	InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H	C15H11N3	233.268	3	0	38.67	3	2	0	0	4.11278	2.78	4.076	0	74.549	1.8087	207.489004303701
Cond-010645	NSC39202	39202	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.725145898734	N1(CCCCC1)CC1C(=O)C(CCC1)CN1CCCCC1	InChI=1S/C18H32N2O/c21-18-16(14-19-10-3-1-4-11-19)8-7-9-17(18)15-20-12-5-2-6-13-20/h16-17H,1-15H2	C18H32N2O	292.459	3	0	23.55	3	4	0	-1.962	3.17749	3.11	2.094	75.9432	89.6630000000001	2.5343	310.962094280096
Cond-010646	NSC3970	3970	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.579471955759	c1c(=O)[nH]c(=O)[nH]c1	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)	C4H4N2O2	112.087	4	2	58.2	1	0	0	-0.9111	-0.50042	1.46	-0.875	24.3693	28.7874	0.7516	97.0485362185224
Cond-010647	NSC39863	39863	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.6367309600721	n1cc2C[C@@]3([C@H]4CC[C@@]5([C@](CC[C@H]5[C@@H]4CC[C@H]3Cc2nc1c1ccccc1)(O)C)C)C	InChI=1S/C28H36N2O/c1-26-16-19-17-29-25(18-7-5-4-6-8-18)30-24(19)15-20(26)9-10-21-22(26)11-13-27(2)23(21)12-14-28(27,3)31/h4-8,17,20-23,31H,9-16H2,1-3H3/t20-,21+,22-,23-,26-,27-,28-/m0/s1	C28H36N2O	416.598	3	1	46.01	6	1	1	1.4169	6.30559000000001	4.21	8.677	76.1875	125.3008	3.4025	411.870270932364
Cond-010648	NSC400944	400944	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.430463940829	O=C1C=Cc2ncccc2C1=O	InChI=1S/C9H5NO2/c11-8-4-3-7-6(9(8)12)2-1-5-10-7/h1-5H	C9H5NO2	159.142	3	0	47.03	2	0	0	-0.1665	0.91138	2.12	0.823	20.9355	44.7895	1.1187	141.365864336489
Cond-010649	NSC400978	400978	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	98.3480016304755	O=C1C2=CC([C@@H](C2=C(C2([C@@]1(C)O)CC2)C)O)(C)C	InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1	C15H20O3	248.317	3	2	57.53	3	0	0	0.579799999999999	1.83017	2.78	0.335	70.3636	70.5716	1.9434	249.388155985684
Cond-010650	NSC40212	40212	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.172178471142	Clc1nc(nc(Cl)c1C)C	InChI=1S/C6H6Cl2N2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3	C6H6Cl2N2	177.031	2	0	25.78	1	0	0	1.7607	2.29934	1.68	2.075	23.6052	40.639	1.1608	133.58218761
Cond-010651	NSC403148	403148	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4590963491537	O1c2c(OC1)cc1C[C@H]3COC(=O)[C@@H]3[C@@H](c1c2)c1cc(c(c(c1)OC)OC)OC	InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1	C22H22O7	398.406	7	0	72.45	5	4	0	-0.668699999999999	3.63628	3.11	2.289	55.3267	106.526	2.7753	348.562202964196
Cond-010652	NSC40341	40341	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	89.3902823873666	O=C1C(=C(Cl)C(=O)c2c1cccc2)N1CCN(C2=C(Cl)C(=O)c3c(C2=O)cccc3)CC1	InChI=1S/C24H16Cl2N2O4/c25-17-19(23(31)15-7-3-1-5-13(15)21(17)29)27-9-11-28(12-10-27)20-18(26)22(30)14-6-2-4-8-16(14)24(20)32/h1-8H,9-12H2	C24H16Cl2N2O4	467.301	6	0	74.76	5	2	1	-0.203	3.48397	3.22	5.962	74.7538	121.5915	3.1104	396.016854567446
Cond-010653	NSC403883	403883	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.539730264123	C1([C@@H]2CC[C@H]([C@]32CC[C@]([C@@H]1C3)(O)C)C)(C)C	InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1	C15H26O	222.366	1	1	20.23	3	0	1	1.3573	3.6098	3	5.176	65.7086	66.0668000000001	1.955	239.717078686961
Cond-010654	NSC404241	404241	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.5945408496121	n1c(c2ncn(c2nc1)C1OC(C(C1O)O)CO)N	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)	C10H13N5O4	267.241	9	5	139.54	3	2	0	-2.2791	-1.45601	1.57	-1.809	34.5164	64.3148	1.7536	202.245801896945
Cond-010655	NSC405158	405158	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	35.9726295238643	Clc1ccc(cc1)/C(=C\1/C=C/C(=N\O)/C=C1)/C#N	InChI=1S/C14H9ClN2O/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17-18)8-4-11/h1-8,18H/b14-11-,17-13+	C14H9ClN2O	256.687	3	1	56.38	2	1	0	1.3559	3.30926	2.56	2.704	49.0605	71.4025	1.8577	237.354012641462
Cond-010656	NSC406021	406021	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2885010089994	n1c(=S)c2ncn(c2[nH]c1)C1OC(C(C1O)O)CO	InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)	C10H12N4O4S	284.292	8	4	144.22	3	2	0	-1.9453	-0.95442	1.57	-1.561	53.0777	71.4361	1.8173	220.658065746378
Cond-010657	NSC40666	40666	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.476923436194	n1c(SCc2c(cccc2)Cl)c2ncn(c2nc1N)C1OC(C(C1O)O)CO	InChI=1S/C17H18ClN5O4S/c18-9-4-2-1-3-8(9)6-28-15-11-14(21-17(19)22-15)23(7-20-11)16-13(26)12(25)10(5-24)27-16/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,19,21,22)	C17H18ClN5O4S	423.874	9	5	164.84	4	5	0	-0.9326	1.96057	2.12	1.455	52.6377	106.6538	2.7882	325.871951302846
Cond-010658	NSC407010	407010	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.693958222914	c1cc(cc(c1O)O)c1c(c(=O)c2c(cc(cc2)O)o1)O	InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H	C15H10O6	286.236	6	4	107.22	3	1	0	-2.3409	2.59177	2.45	2.344	25.9107	76.4062	1.9045	240.776542583367
Cond-010659	NSC407335	407335	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.97466182884	Fc1cn(C2OC(C(C2)OC(=O)C)CO)c(=O)[nH]c1=O	InChI=1S/C11H13FN2O6/c1-5(16)19-7-2-9(20-8(7)4-15)14-3-6(12)10(17)13-11(14)18/h3,7-9,15H,2,4H2,1H3,(H,13,17,18)	C11H13FN2O6	288.229	8	2	105.17	2	4	0	-1.8352	-0.45182	1.68	-1.089	58.0691	63.4595	1.8388	244.35597685054
Cond-010660	NSC407806	407806	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.32840414309	C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O	InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1	C23H34O4	374.514	4	2	66.76	5	1	0	-0.0324999999999994	3.76438000000001	3.55	3.685	99.414	104.6986	2.9551	374.46980099238
Cond-010661	NSC408120	408120	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	43.4502937339406	O=C1c2c(cc(cc2C(=O)c2c1c(cc(c2)C)O)O)O	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	C15H10O5	270.237	5	3	94.83	3	0	0	-1.2665	1.57521	2.56	0.664	23.8879	71.4049	1.8458	231.986315882806
Cond-010662	NSC4114	4114	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.3636342449251	N1CCOCC1.O1CCN(CC1)C(=S)S	InChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2	C9H18N2O2S2	250.381	2	0	83.36	1	1	0	1.186	0.5333	1.57	0.658	44.593	43.976	1.147	136.848499452461
Cond-010663	NSC4170	4170	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	40.6589389970954	C1(=O)C(=CC(=O)c2c1cccc2)C	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3	C11H8O2	172.18	2	0	34.14	2	0	0	0.2799	1.90648	2.45	2.141	25.2175	51.6115	1.3007	164.961073380056
Cond-010664	NSC41809	41809	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.524623098475	[Sb].C(=O)(O)CC(S)C(=O)O.[Li+]	InChI=1S/C4H6O4S.Li.Sb.3H/c5-3(6)1-2(9)4(7)8;;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;;/q;+1;;;;	C4H6LiO4SSb+	278.854	4	2	113.4	0	3	0	-0.0908999999999996	0.07799	1.35	-0.526	31.0022	35.9056	0.9845	126.137410662511
Cond-010665	NSC41809	41809	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.76917948322	[Sb].C(=O)(O)CC(S)C(=O)O.[Li+]	InChI=1S/C4H6O4S.Li.Sb.3H/c5-3(6)1-2(9)4(7)8;;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;;/q;+1;;;;	C4H6LiO4SSb+	278.854	4	2	113.4	0	3	0	-0.0908999999999996	0.07799	1.35	-0.526	31.0022	35.9056	0.9845	126.137410662511
Cond-010666	NSC4280	4280	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	77.2152292467588	n1c2c3nc(ccc3ccc2ccc1C)C	InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3	C14H12N2	208.258	2	0	25.78	3	0	0	0.879	3.64942	2.78	3.832	11.465	66.406	1.654	184.469176871267
Cond-010667	NSC4320	4320	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O1C(C(C(C(C1OC1C(OC(OC2CCC3(C4CCC5(C(C6=CC(=O)OC6)CCC5(C4CCC3(C2)O)O)C)C=O)CC1OC)C)O)O)O)CO	InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3	C36H54O14	710.806	14	6	210.9	7	8	2	-3.6686	0.417580000000004	3.88	0.724	167.4194	173.8038	5.11360000000001	659.870492031854
Cond-010668	NSC43321	43321	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.287672062446	c1(cc(cc(c1)OC1C(C(C(C(O1)CO)O)O)O)/C=C/c1cc(c(cc1)OC)O)O	InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+	C21H24O9	420.41	9	6	149.07	3	6	1	-2.7118	0.534480000000004	2.78	1.673	57.7415	106.654	2.969	373.559589141052
Cond-010669	NSC44690	44690	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	7.24175026048028	N(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(CC)CC)(CC)CC.[Cl-]	InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1	C21H27ClN2O	358.905	3	1	6.48	3	6	0	1.4372	5.31848000000001	3.44	4.657	45.758	106.04	2.742	327.867754653696
Cond-010670	NSC44690	44690	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.5514272409868	N(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(CC)CC)(CC)CC.[Cl-]	InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1	C21H27ClN2O	358.905	3	1	6.48	3	6	0	1.4372	5.31848000000001	3.44	4.657	45.758	106.04	2.742	327.867754653696
Cond-010671	NSC45383	45383	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	78.6671985063186	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-010672	NSC45383	45383	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	50.0801484587363	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-010673	NSC45388	45388	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.450323299925	n1c(c([nH]c1)/N=N/N(C)C)C(=O)N	InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+	C6H10N6O	182.183	7	3	99.73	1	3	0	-0.9411	-0.44461	1.35	-1.463	29.3491	48.7624	1.3309	153.300860901561
Cond-010674	NSC45575	45575	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	107.22222792406	N(=N\c1c2ccccc2ccc1O)/c1cccc2ccccc12	InChI=1S/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H/b22-21+	C20H14N2O	298.338	3	1	44.95	4	2	1	-0.4603	6.38228	3.33	8.256	2.5646	96.971	2.2775	263.233017823029
Cond-010675	NSC46061	46061	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	N1(c2c(Sc3ccccc13)ccc(c2)C(F)(F)F)CCCN1CCN(CC1)C.C(=O)(O)CCC(=O)O	InChI=1S/C21H24F3N3S.C4H6O4/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,5,6)(H,7,8)	C25H30F3N3O4S	525.584	3	0	35.02	4	5	1	1.6122	5.13159	3	5.118	59.8036	107.215	2.8911	354.429530069021
Cond-010676	NSC4644	4644	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	52.2632362388812	C1(CCC2(C1C1CCC3C(C1(CC2)C)(CCC1C3(CCC(C1(C)C)O)C)C)CO)C(=C)C	InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3	C30H50O2	442.717	2	2	40.46	5	2	1	2.1406	6.92339000000001	4.54	9.714	131.8122	131.7916	3.867	480.597698673126
Cond-010677	NSC4644	4644	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.4629944093676	C1(CCC2(C1C1CCC3C(C1(CC2)C)(CCC1C3(CCC(C1(C)C)O)C)C)CO)C(=C)C	InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3	C30H50O2	442.717	2	2	40.46	5	2	1	2.1406	6.92339000000001	4.54	9.714	131.8122	131.7916	3.867	480.597698673126
Cond-010678	NSC47147	47147	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	74.6285789577593	[nH]1c(c2[nH]c(c(c2)OC)/C=C\2/N=C(C(=C2)CCCCC)C)ccc1	InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3/b16-12+	C20H25N3O	323.432	4	2	53.17	3	7	0	-1.4454	4.47146000000001	3.22	4.215	64.187	102.715	2.6579	318.932071535196
Cond-010679	NSC47147	47147	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	8.30808727919191	[nH]1c(c2[nH]c(c(c2)OC)/C=C\2/N=C(C(=C2)CCCCC)C)ccc1	InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3/b16-12+	C20H25N3O	323.432	4	2	53.17	3	7	0	-1.4454	4.47146000000001	3.22	4.215	64.187	102.715	2.6579	318.932071535196
Cond-010680	NSC4728	4728	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.688737923793	n1nc(sc1)N	InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)	C2H3N3S	101.13	3	2	80.04	1	0	0	-0.1593	0.52549	1.24	-0.273	12.0156	25.3624	0.6587	66.1183565322335
Cond-010681	NSC47438	47438	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.237859694967	O=C1C=C[C@@]2([C@@]3(F)[C@H](C[C@@]4([C@](CC[C@H]4[C@@H]3C[C@@H](C2=C1)C)(C(=O)C)OC(=O)C)C)O)C	InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1	C24H31FO5	418.498	5	1	80.67	4	3	0	0.300299999999997	3.58037	3.44	2.693	108.331	110.7828	3.152	411.070653767514
Cond-010682	NSC4810	4810	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	61.317832985741	N1c2ccccc2/C(=N/Nc2ccc(cc2N(=O)=O)N(=O)=O)/C1=O	InChI=1S/C14H9N5O5/c20-14-13(9-3-1-2-4-10(9)15-14)17-16-11-6-5-8(18(21)22)7-12(11)19(23)24/h1-7,16H,(H,15,17,20)	C14H9N5O5	327.252	10	2	139.77	3	4	1	0.1594	2.72097	1.9	5.245	25.1246	93.0304	2.1179	264.401214896173
Cond-010683	NSC48151	48151	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.2819202290964	C1CCC(CC1)N(Cc1c(ccc(c1)C(C)(C)C)O)Cc1c(ccc(c1)C(C)(C)C)O	InChI=1S/C28H41NO2/c1-27(2,3)22-12-14-25(30)20(16-22)18-29(24-10-8-7-9-11-24)19-21-17-23(28(4,5)6)13-15-26(21)31/h12-17,24,30-31H,7-11,18-19H2,1-6H3	C28H41NO2	423.631	3	2	43.7	3	7	1	0.737800000000001	7.19930000000001	4.21	8.949	73.6611	133.592	3.6872	446.733113527159
Cond-010684	NSC4857	4857	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.427152370033	[Na+].N(CC)(CC)C(=S)S	InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1	C5H11NNaS2+	172.267	1	0	74.13	0	3	0	1.9991	1.5429	1.68	1.784	44.1061	44.505	1.1969	140.4147314527
Cond-010685	NSC49451	49451	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.2746886293584	O=C1[C@H](C[C@H]2[C@@]3(C(=O)C[C@@]4([C@@H]([C@@](C(=O)/C=C/C(C)(C)OC(=O)C)(C)O)[C@H](O)C[C@]4([C@@H]3CC=C2C1(C)C)C)C)C)O	InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1	C32H46O8	558.703	8	3	138.2	4	6	0	0.770899999999999	3.58557000000001	4.1	2.725	151.1707	150.4694	4.3946	567.105193325024
Cond-010686	NSC4960	4960	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.559601109941	c1c(ccc(c1)O)OC	InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3	C7H8O2	124.137	2	1	29.46	1	1	0	-0.5121	1.77139	2.01	1.389	9.8804	37.078	0.9747	116.042969679789
Cond-010687	NSC49660	49660	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.492754968095	s1c(ccc1)C[N+]12CN3CN(C1)CN(C3)C2.[Cl-]	InChI=1S/C11H17N4S.ClH/c1-2-11(16-3-1)4-15-8-12-5-13(9-15)7-14(6-12)10-15;/h1-3H,4-10H2;1H/q+1;/p-1	C11H17ClN4S	272.797	4	0	37.96	1	2	0	-0.769099999999999	-0.0705000000000001	2.12	1.221	46.6031	59.0644	1.7223	197.0278316212
Cond-010688	NSC49842	49842	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.2551751238798	[nH]1c2[C@](C[C@H]3C[C@](CN(CCc2c2ccccc12)C3)(CC)O)(c1cc2[C@@]34[C@H]5N(CC=C[C@]5([C@H]([C@]([C@@H]4N(c2cc1OC)C)(O)C(=O)OC)OC(=O)C)CC)CC3)C(=O)OC.S(=O)(=O)(O)O	InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H60N4O13S	909.053	13	3	154.1	9	10	1	-1.9554	4.92416000000001	5.09	4.011	162.8566	226.692599999999	6.06710000000002	754.361658612382
Cond-010689	NSC51148	51148	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	44.5033111563273	[Cd](Cl)Cl	InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2	CdCl2	183.317	0	0	0	0	0	0	1.0674	1.3765	1.13	1.161	12.2044	11.706	0.2878	NA
Cond-010690	NSC5159	5159	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.343697578372	Cc1ccc2c3c1c(=O)oc1c4c(cccc4OC4C(C(C(C(C)O4)O)O)OC4C(C(C(C(C)O4)O)OC)O)c(c(c31)c(=O)o2)O	InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3	C32H32O14	640.588	14	5	199.9	7	5	0	-2.5461	2.09090000000001	3.44	1.353	90.0363	161.8945	4.24900000000001	539.53134262279
Cond-010691	NSC51812	51812	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.281628478504	O=C1C2=C([C@]3([C@H]([C@@H](C(=C(C3=O)C(=O)N)O)N(C)C)C[C@@H]2Cc2cccc(c12)O)O)O.Cl	InChI=1S/C21H22N2O7.ClH/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29;/h3-5,9-10,15,24,26-27,30H,6-7H2,1-2H3,(H2,22,29);1H/t9-,10-,15-,21-;/m0./s1	C21H23ClN2O7	450.87	9	6	161.39	4	2	0	-3.0109	0.20687	2.78	1.165	79.8886	106.3771	2.8996	373.879738754663
Cond-010692	NSC5200	5200	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.059600932311	n1c(=O)c(/N=N/c2ccccc2)c([nH]c1N)N	InChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)/b16-15+	C10H10N6O	230.226	7	5	118.22	2	2	0	-1.9588	0.29806	1.79	3.108	27.8504	66.5395	1.6569	202.218964601828
Cond-010693	NSC52141	52141	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	O=C1O[C@@H](C[C@@H]2O[C@@H](CC2)[C@@H](C(=O)O[C@H](C[C@H]2O[C@@H]([C@H](C(=O)O[C@@H](C[C@@H]3O[C@@H](CC3)[C@@H](C(=O)O[C@H](C[C@H]3O[C@H](CC3)[C@H]1C)C)C)C)C)CC2)C)C)C	InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-	C40H64O12	736.929	12	0	142.12	5	0	2	-3.6572	6.25589000000001	4.54	5.448	168.3684	192.162999999999	5.73400000000001	733.550435834998
Cond-010694	NSC526417	526417	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	26.9287322173529	CC1C(=O)N(C)C2CSC(C(C(=O)N(C)C(C(=O)OCC(C(=O)N1)NC(=O)c1cnc3ccccc3n1)C(C)C)N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c1cnc2ccccc2n1)SC	InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)	C51H64N12O12S2	1101.26	24	4	352.4	6	9	1	-3.40929999999999	1.41407000000001	4.21	3.883	200.4154	289.484299999999	8.01190000000002	994.645639419132
Cond-010695	NSC529469	529469	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.433775866885	C(=O)(O)C(N)CN(O)N=O	InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)	C3H7N3O4	149.105	7	4	116.22	0	4	0	-1.7093	-1.7432	1.02	-4.222	30.6981	28.6657	0.9795	123.322682603545
Cond-010696	NSC534	534	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	24.9111607223637	[Hg]OC(=O)C.c12c3c(ccc1cccc2)cccc3	InChI=1S/C14H10.C2H4O2.Hg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2(3)4;/h1-10H;1H3,(H,3,4);/q;;+1/p-1	C16H13HgO2	437.863	0	0	0	3	0	1	0	3.993	3	7.814	0	61.454	1.4544	162.475656454934
Cond-010697	NSC534	534	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	83.9421952192098	[Hg]OC(=O)C.c12c3c(ccc1cccc2)cccc3	InChI=1S/C14H10.C2H4O2.Hg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2(3)4;/h1-10H;1H3,(H,3,4);/q;;+1/p-1	C16H13HgO2	437.863	0	0	0	3	0	1	0	3.993	3	7.814	0	61.454	1.4544	162.475656454934
Cond-010698	NSC5354	5354	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.248338441635	c1(ccccc1N)N	InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2	C6H8N2	108.141	2	4	52.04	1	0	0	-1.4998	1.95929	1.9	0.736	8.4442	35.6828	0.916000000000001	103.160052069134
Cond-010699	NSC53908	53908	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.583416406122	O=c1cc(oc2c1c(c(c(c2)OC)OC)OC)c1ccc(cc1)OC	InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3	C19H18O6	342.343	6	0	63.22	3	5	0	-0.710800000000002	3.62367	2.89	2.68	45.7995	96.048	2.4681	309.960481086835
Cond-010700	NSC54297	54297	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.943699625442	s1cc(nc1N)c1sccc1	InChI=1S/C7H6N2S2/c8-7-9-5(4-11-7)6-2-1-3-10-6/h1-4H,(H2,8,9)	C7H6N2S2	182.266	2	2	95.39	2	1	0	0.4313	2.90739	1.79	1.865	19.8091	51.7644	1.2323	131.5811674086
Cond-010701	NSC54650	54650	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.7878757510593	o1c(c2ccncc2)cc(=O)c2c1ccc(c2)OC	InChI=1S/C15H11NO3/c1-18-11-2-3-14-12(8-11)13(17)9-15(19-14)10-4-6-16-7-5-10/h2-9H,1H3	C15H11NO3	253.253	4	0	48.42	3	2	0	-0.5554	2.99287	2.67	2.616	23.8521	74.187	1.8282	225.40262268985
Cond-010702	NSC56544	56544	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.869994753859	O1c2ccccc2C(=O)/C/1=C\c1sccc1	InChI=1S/C13H8O2S/c14-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-16-9/h1-8H/b12-8+	C13H8O2S	228.266	2	0	54.54	3	1	0	0.1937	3.65077	2.56	4.323	24.4049	67.717	1.5944	192.169149287789
Cond-010703	NSC56737	56737	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.474798741807	c1c(cc(cc1)OC)/C=N/NC(=O)C(SC(C(=O)N/N=C\c1cccc(c1)OC)C)C	InChI=1S/C22H26N4O4S/c1-15(21(27)25-23-13-17-7-5-9-19(11-17)29-3)31-16(2)22(28)26-24-14-18-8-6-10-20(12-18)30-4/h5-16H,1-4H3,(H,25,27)(H,26,28)/b23-13-,24-14+	C22H26N4O4S	442.531	8	2	126.68	2	12	2	-1.0626	2.84367	2.89	5.415	70.8531	128.8494	3.3587	413.84758775278
Cond-010704	NSC56817	56817	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	84.5286241746874	O=Cc1c2c(c(c(c1O)O)C(C)C)cc(c(c1c(cc3c(c(c(c(c3c1O)C=O)O)O)C(C)C)C)c2O)C	InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	C30H30O8	518.554	8	6	155.52	4	5	2	-0.7168	6.95	3.88	5.51	67.5152	154.2749	3.8548	473.094471868492
Cond-010705	NSC58514	58514	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.1475393718271	O1C(CC(C(C1C)OC)O)OC1CC(OC(C1OC(=O)C)C)Oc1cc2cc3C[C@@H]([C@@H](C(=O)[C@H]([C@H](O)C)O)OC)[C@H](OC4OC(C(C(C4)OC4OC(C(C(C4)OC4OC(C(C(C4)(C)O)OC(=O)C)C)O)C)O)C)C(=O)c3c(c2c(c1C)O)O	InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23?,24?,25?,26?,27?,32+,33?,35?,36?,37?,38?,39?,40?,41?,42?,46+,47?,48?,52?,53?,54+,55+,56?,57?/m1/s1	C57H82O26	1183.25	26	8	359.34	8	20	3	-6.90380000000001	2.37129000000002	4.87	-0.473	233.3332	289.086099999999	8.41030000000003	1078.59367867619
Cond-010706	NSC5890	5890	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	38.4719391262315	O1C2=CC(=O)C(C(=O)C2(c2c(c(c(c(c12)C(=O)C)O)C)O)C)C(=O)C	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3	C18H16O7	344.315	7	2	117.97	3	2	0	-1.4263	2.30559	2.67	-0.526	65.7986	91.3833	2.3859	312.354723161529
Cond-010707	NSC59269	59269	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.1878259322239	CCCCCCCCCCCCCCCCOCC(O)CO	InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3	C19H40O3	316.519	3	2	49.69	0	18	2	-5.071	4.83750000000001	3.22	6.817	70.9439	94.2236000000001	2.9618	363.550846693952
Cond-010708	NSC600300	600300	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.5003968965	C[Si](C)(C)C[NH2+][Pt](=[Cl])(=[Cl])[NH2+]C[Si](C)(C)C	InChI=1S/2C4H13NSi.2ClH.Pt/c2*1-6(2,3)4-5;;;/h2*4-5H2,1-3H3;2*1H;/q;;;;+2	C8H26Cl2N2PtSi2++	472.46	2	2	16.61	0	6	0	NA	-7.95855	1.57	NA	NA	34.935	2.7653	NA
Cond-010709	NSC600305	600305	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.3810413851997	c1c(ccc2c1c(=O)n1c(ccc(c1)C(=O)NCCN(C)C)n2)C(C)C	InChI=1S/C20H24N4O2/c1-13(2)14-5-7-17-16(11-14)20(26)24-12-15(6-8-18(24)22-17)19(25)21-9-10-23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)	C20H24N4O2	352.43	6	1	65.01	3	6	0	-0.3087	2.41126	3	2.712	77.6489	106.1002	2.7734	346.982599743124
Cond-010710	NSC600681	600681	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	48.6324898557382	c1ccc2c3c1C1[C@@H](Cc3cn2CCCCC)N(CC(=C1)C)C.C(=O)(c1ccc(cc1)C)OC(C(=O)O)C(C(=O)O)OC(=O)c1ccc(cc1)C	InChI=1S/C21H28N2.C20H18O8/c1-4-5-6-10-23-14-16-12-20-18(11-15(2)13-22(20)3)17-8-7-9-19(23)21(16)17;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h7-9,11,14,18,20H,4-6,10,12-13H2,1-3H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t18?,20-;/m1./s1	C41H46N2O8	694.813	8	2	127.2	2	9	1	0.308	1.89673	2.78	5.38	44.6718	97.0856000000001	2.749	351.920460413024
Cond-010711	NSC601101	601101	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.251130548045	c1cccc2c1c(no2)/C=C/c1ccccc1OCCN(CC)CC.Cl	InChI=1S/C21H24N2O2.ClH/c1-3-23(4-2)15-16-24-20-11-7-5-9-17(20)13-14-19-18-10-6-8-12-21(18)25-22-19;/h5-14H,3-4,15-16H2,1-2H3;1H/b14-13+;	C21H25ClN2O2	372.888	4	0	38.5	3	8	1	0.9014	4.75847000000001	3.33	5.951	45.8602	104.012	2.7147	320.485063952657
Cond-010712	NSC602617	602617	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.3059642167041	n1c(c(nc2c1C(=O)c1c(cccc1)C2=O)C)C	InChI=1S/C14H10N2O2/c1-7-8(2)16-12-11(15-7)13(17)9-5-3-4-6-10(9)14(12)18/h3-6H,1-2H3	C14H10N2O2	238.241	4	0	59.92	3	0	0	0.3514	2.19623	2.56	2.63	22.157	68.2545	1.7284	210.313171571589
Cond-010713	NSC60309	60309	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.230506746828	O=n1c2c3cccc4cccc(c34)c2n(=O)c2c1cccc2	InChI=1S/C18H10N2O2/c21-19-14-9-1-2-10-15(14)20(22)18-13-8-4-6-11-5-3-7-12(16(11)13)17(18)19/h1-10H	C18H10N2O2	286.284	4	0	53.88	5	0	0	-0.7838	5.40458	3	4.273	3.89	92.058	1.9888	216.811275271856
Cond-010714	NSC603108	603108	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.491997634222	c1cc(c(c(c1)F)C(=O)NC(=O)Nc1ccc(cc1)Cl)N(C)C	InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)	C16H15ClFN3O2	335.761	5	2	61.44	2	6	0	0.6906	3.70508	2.45	4.328	35.6636	91.7609	2.3587	289.53698635303
Cond-010715	NSC603169	603169	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	74.5721274808324	c12ccccn1cc([n+]2C)c1ccc(cc1)/C=C/C=N\NC(=O)c1ccc(cc1)C(=O)N/N=C\C=C\c1ccc(cc1)c1[n+](c2n(c1)cccc2)C.c1(ccc(cc1)C)S(=O)(=O)[O-]	InChI=1S/C42H34N8O2.C7H8O3S/c1-47-37(29-49-27-5-3-11-39(47)49)33-17-13-31(14-18-33)9-7-25-43-45-41(51)35-21-23-36(24-22-35)42(52)46-44-26-8-10-32-15-19-34(20-16-32)38-30-50-28-6-4-12-40(50)48(38)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-30H,1-2H3;2-5H,1H3,(H,8,9,10)/p+1/b9-7+,10-8+,43-25-,44-26-;	C49H43N8O5S+	855.981	10	2	99.5	7	12	2	-3.2726	8.73911	4.98	11.742	67.6614	217.307899999999	5.23600000000001	619.745045730455
Cond-010716	NSC603577	603577	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	99.9420476823333	C[Si]1(C)C[NH2+][Pt](=[Cl])(=[Cl])[NH2+]C1	InChI=1S/C4H14N2Si.2ClH.Pt/c1-7(2,3-5)4-6;;;/h3-6H2,1-2H3;2*1H;/q;;;+2	C4H14Cl2N2PtSi++	384.237	2	4	33.22	1	0	0	NA	-9.79061	1.24	NA	NA	14.135	2.1925	NA
Cond-010717	NSC603578	603578	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.608132053333	C[Si]1(C)C[NH2+][Pt](=[Cl])(=[Cl])(=[Cl])(=[Cl])[NH2+]C1	InChI=1S/C4H14N2Si.4ClH.Pt/c1-7(2,3-5)4-6;;;;;/h3-6H2,1-2H3;4*1H;/q;;;;;+2	C4H14Cl4N2PtSi++	455.143	2	4	33.22	1	0	0	NA	-15.78261	1.02	NA	NA	14.135	2.4803	NA
Cond-010718	NSC603624	603624	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1(ccc(c(c1)Cl)Cl)N1C(C)(C)N=C(N=C1N)NC(=O)NS(=O)(=O)c1ccc(cc1)C	InChI=1S/C19H20Cl2N6O3S/c1-11-4-7-13(8-5-11)31(29,30)26-18(28)24-17-23-16(22)27(19(2,3)25-17)12-6-9-14(20)15(21)10-12/h4-10H,1-3H3,(H4,22,23,24,25,26,28)	C19H20Cl2N6O3S	483.371	9	4	137.63	3	6	1	0.6377	3.47298	2.23	5.019	66.6149	120.8018	3.2561	395.865063131819
Cond-010719	NSC603719	603719	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.049665509402	c1c(ccc2c1oc(=O)[nH]2)O	InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)	C7H5NO3	151.12	4	2	58.56	2	0	0	-0.5443	1.41528	1.79	0.786	11.3574	42.6685	0.981600000000001	120.837039186917
Cond-010720	NSC604535	604535	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.802276548506	c1cccc2c1C[C@H](N2C(=O)[C@H](C)CSC(=O)c1ccccc1)C(=O)O	InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17+/m1/s1	C20H19NO4S	369.434	5	1	99.98	3	7	1	-0.1958	3.99958	3	5.012	49.6503	105.1173	2.7119	336.545337876546
Cond-010721	NSC605583	605583	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	60.1926933702335	P(=O)([O-])(OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC	InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3	C21H46NO4P	407.568	5	0	68.4	0	20	2	-6.0081	4.69550000000001	3.11	6.631	87.5463	106.4884	3.6067	437.757056262414
Cond-010722	NSC605583	605583	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	54.648524621968	P(=O)([O-])(OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC	InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3	C21H46NO4P	407.568	5	0	68.4	0	20	2	-6.0081	4.69550000000001	3.11	6.631	87.5463	106.4884	3.6067	437.757056262414
Cond-010723	NSC605756	605756	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	101.315790951519	c1cc(cc2c1cc1c(cc(cc1)N)n2)N.Cl	InChI=1S/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H	C13H12ClN3	245.707	3	4	64.93	3	0	0	-1.4998	2.95759	2.56	2.174	8.4442	69.1148	1.6129	178.169952453567
Cond-010724	NSC606532	606532	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.483441139448	c1(cc(c(cc1OC)N(=O)=O)N(=O)=O)N	InChI=1S/C7H7N3O5/c1-15-7-3-6(10(13)14)5(9(11)12)2-4(7)8/h2-3H,8H2,1H3	C7H7N3O5	213.148	8	2	121.53	1	3	0	0.5185	1.87448	1.35	1.096	19.3179	57.6324	1.3642	170.131013004372
Cond-010725	NSC607316	607316	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2451791968543	C12C3C(C(C4C1C1C4C(=O)N(C1=O)COC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)C=C2)C(=O)N(C3=O)COC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1	InChI=1S/C44H50N4O12/c1-43(2,3)59-41(55)45-27(19-23-13-9-7-10-14-23)39(53)57-21-47-35(49)31-25-17-18-26(32(31)36(47)50)30-29(25)33-34(30)38(52)48(37(33)51)22-58-40(54)28(20-24-15-11-8-12-16-24)46-42(56)60-44(4,5)6/h7-18,25-34H,19-22H2,1-6H3,(H,45,55)(H,46,56)	C44H50N4O12	826.887	16	2	204.02	5	20	3	-0.226199999999999	3.04818	4.54	7.73	157.8768	211.875399999999	6.00660000000002	771.207452060732
Cond-010726	NSC607347	607347	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.075272450908	c1(ccc(cc1)SC(CCl)CCl)F	InChI=1S/C9H9Cl2FS/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9H,5-6H2	C9H9Cl2FS	239.137	0	0	25.3	1	4	0	2.5317	3.42509	2.01	4.461	32.7195	59.62	1.5651	188.053203979173
Cond-010727	NSC610744	610744	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.906436004304	c1c(ncn1c1ccc(cc1)Cl)c1ccc(cc1)N(=O)=O	InChI=1S/C15H10ClN3O2/c16-12-3-7-13(8-4-12)18-9-15(17-10-18)11-1-5-14(6-2-11)19(20)21/h1-10H	C15H10ClN3O2	299.712	5	0	60.44	3	3	0	1.4176	4.99958	2.45	4.794	12.4036	86.014	2.0485	240.280525475256
Cond-010728	NSC611750	611750	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.1481467854448	c1(cc(c(cc1OC)C(O)CCBr)OC)C	InChI=1S/C12H17BrO3/c1-8-6-12(16-3)9(7-11(8)15-2)10(14)4-5-13/h6-7,10,14H,4-5H2,1-3H3	C12H17BrO3	289.166	3	1	38.69	1	5	0	0.640099999999999	3.32012	2.34	2.498	42.3191	70.4328	1.9129	230.59673848725
Cond-010729	NSC613009	613009	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	72.5927170561536	Brc1[nH]c2c(c1C[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](C/C(=C/[C@@H](C[C@@H](OC(=O)C[C@@H](NC1=O)c1ccc(O)cc1)C)C)/C)C)C)C)cccc2	InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22+,23-,24-,30+,31+/m0/s1	C36H45BrN4O6	709.67	10	4	140.83	4	3	1	-0.324699999999999	4.98417000000001	4.21	6.205	125.4461	186.7072	5.15700000000001	633.4605860328
Cond-010730	NSC613009	613009	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	9.09714759928226	Brc1[nH]c2c(c1C[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](C/C(=C/[C@@H](C[C@@H](OC(=O)C[C@@H](NC1=O)c1ccc(O)cc1)C)C)/C)C)C)C)cccc2	InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22+,23-,24-,30+,31+/m0/s1	C36H45BrN4O6	709.67	10	4	140.83	4	3	1	-0.324699999999999	4.98417000000001	4.21	6.205	125.4461	186.7072	5.15700000000001	633.4605860328
Cond-010731	NSC614826	614826	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4255807264386	n1ccccc1C(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C	InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3	C22H19NO4	361.391	5	0	65.49	3	7	1	-0.1639	4.81368	3.33	5.81	27.1565	104.134	2.7442	336.45536566908
Cond-010732	NSC614928	614928	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	106.291392414587	O1C(C(C(C1O)(C)C)(C)C)O	InChI=1S/C8H16O3/c1-7(2)5(9)11-6(10)8(7,3)4/h5-6,9-10H,1-4H3	C8H16O3	160.211	3	2	49.69	1	0	0	1.0181	0.7058	2.01	0.84	40.3527	40.6606	1.3033	160.938557108617
Cond-010733	NSC615593	615593	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.340822736886	[Pt+2]([N+]#CC(=C)C(=O)OCC(CC)CC)([N+]#CC(=C)C(=O)OCC(CC)CC)([O]=S(C)C)[O]=S(C)C.c1ccc2c(c1)c(S(=O)(=O)[O-])cc(c2N)/N=N\c1ccc(cc1)c1ccc(cc1)/N=N\c1c(N)c2c(c(c1)S(=O)(=O)[O-])cccc2	InChI=1S/C32H24N6O6S2.2C10H15NO2.2C2H6OS.Pt/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;2*1-4-9(5-2)7-13-10(12)8(3)6-11;2*1-4(2)3;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);2*9H,3-5,7H2,1-2H3;2*1-2H3;/q;;;;;+4/p-2/b37-35-,38-36-;;;;;	C56H64N8O12PtS4++	1364.49	12	4	232.64	6	7	2	-3.9384	9.44324999999999	3.44	8.232	25.7274	167.1996	4.42680000000001	528.136468776102
Cond-010734	NSC616232	616232	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.8353472766352	BrCC(O)C(O)C(O)C(O)CBr	InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2	C6H12Br2O4	307.965	4	4	80.92	0	5	0	-0.242	-0.7802	1.46	-0.272	50.4726	51.6152	1.5388	186.060511213378
Cond-010735	NSC616355	616355	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.8662403191238	c1nc(N)c2c(n1)n(cn2)C1OC(CC1)CO[Si](C)(C)C(C)(C)C	InChI=1S/C16H27N5O2Si/c1-16(2,3)24(4,5)22-8-11-6-7-12(23-11)21-10-20-13-14(17)18-9-19-15(13)21/h9-12H,6-8H2,1-5H3,(H2,17,18,19)	C16H27N5O2Si	349.503	7	2	88.08	3	5	0	1.4485	4.49917000000001	2.34	2.578	58.5286	96.1284	2.7273	323.950100376624
Cond-010736	NSC617540	617540	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.6488927802673	c1(c(cccc1CCCCCCCCC/C=C\CCCCCC)OC)O	InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26-2)24(22)25/h8-9,18,20-21,25H,3-7,10-17,19H2,1-2H3/b9-8-	C24H40O2	360.573	2	1	29.46	1	16	2	-2.5874	7.88748	3.88	10.089	71.8943	115.347	3.327	407.438249618725
Cond-010737	NSC617570	617570	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cc2[n+]3c(c1)C(=[N+]1[Ni+]43(=[Cl])([N+](=C2C)NC(=[O]4)c2c(cccc2)O)[O]=C(N1)c1c(cccc1)O)C.[Cl-]	InChI=1S/C23H21N5O4.2ClH.Ni/c1-14(25-27-22(31)16-8-3-5-12-20(16)29)18-10-7-11-19(24-18)15(2)26-28-23(32)17-9-4-6-13-21(17)30;;;/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32);2*1H;/q;;;+4/p-1/b25-14+,26-15+;;;	C23H21Cl2N5NiO4+++	561.043	9	0	9.03	7	2	0	NA	-6.04201	2.67	NA	NA	97.845	3.0335	NA
Cond-010738	NSC61805	61805	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.635760725175	O1[C@H]2[C@]3(C(=O)OC(=O)[C@]3([C@@H]1CC2)C)C	InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-	C10H12O4	196.2	4	0	52.6	3	0	0	-0.5011	0.87749	2.12	-0.117	41.7165	48.451	1.3406	174.334918257711
Cond-010739	NSC61811	61811	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.641762046655	N1([C@H]2[C@]3([C@@H]4N(CCC[C@@]4(CC2)CC)CC3)c2cccc(c12)OC)C(=O)C	InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1	C22H30N2O2	354.486	4	0	32.78	5	3	0	-1.3694	4.48738000000001	3.44	3.706	74.8972	106.457	2.8104	345.413965980125
Cond-010740	NSC618261	618261	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	12.5954946638751	C1=C(N(=O)=O)C(Oc2c1cc(cc2)OC)C1OC(OC1C1OC(OC1)(C)C)(C)C	InChI=1S/C20H25NO8/c1-19(2)25-10-15(27-19)17-18(29-20(3,4)28-17)16-13(21(22)23)9-11-8-12(24-5)6-7-14(11)26-16/h6-9,15-18H,10H2,1-5H3	C20H25NO8	407.414	9	0	98.52	4	4	0	-0.0859999999999983	2.42169	2.67	3.102	75.4474	101.922	2.8466	362.286596723591
Cond-010741	NSC618332	618332	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.9016318120492	c1ccc2c(c1)C(=O)C(=C(C2=O)Br)Br	InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H	C10H4Br2O2	315.946	2	0	34.14	2	0	0	0.8456	2.96158	2.12	3.466	36.079	62.7345	1.5098	186.232326709323
Cond-010742	NSC618332	618332	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	5.84826116290174	c1ccc2c(c1)C(=O)C(=C(C2=O)Br)Br	InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H	C10H4Br2O2	315.946	2	0	34.14	2	0	0	0.8456	2.96158	2.12	3.466	36.079	62.7345	1.5098	186.232326709323
Cond-010743	NSC619165	619165	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	21.5358260549348	c1cccc2c1c1c([nH]2)C(NCC1)CC/C(=C\C)/[Si](C)(C)C	InChI=1S/C19H28N2Si/c1-5-14(22(2,3)4)10-11-18-19-16(12-13-20-18)15-8-6-7-9-17(15)21-19/h5-9,18,20-21H,10-13H2,1-4H3/b14-5+	C19H28N2Si	312.525	2	2	27.82	3	4	0	2.5658	4.98378000000001	3.22	4.624	58.5514	97.2637000000001	2.6902	322.630861527802
Cond-010744	NSC619907	619907	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.4416244125428	[Mn]12(=[O]C(=O)c3cc(cc(c3[OH+]1)I)I)=[O]C(=O)c1c([OH+]2)c(cc(c1)I)I	InChI=1S/2C7H4I2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+4/p-2	C14H6I4MnO6++	832.75	6	0	34.14	4	0	0	NA	1.92574	1.79	NA	NA	115.5485	2.5792	NA
Cond-010745	NSC620050	620050	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	105.596019388798	c1cccc(c1)S(=O)CC(=O)OC	InChI=1S/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3	C9H10O3S	198.239	3	0	62.58	1	4	0	-0.7118	1.49988	2.01	0.783	25.7156	48.7635	1.4357	175.297730988884
Cond-010746	NSC620261	620261	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.6278823617768	c1ccc(cc1)CC(=O)NC(C(=O)O)CCC(=O)N.c1cc(ccc1)CC(=O)O	InChI=1S/C13H16N2O4.C8H8O2/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9;9-8(10)6-7-4-2-1-3-5-7/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19);1-5H,6H2,(H,9,10)	C21H24N2O6	400.425	6	4	109.49	1	8	0	-1.8849	0.29789	2.23	1.525	37.4351	71.3839	2.0081	251.483475150045
Cond-010747	NSC620277	620277	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.73432771103	c1(ccc(cc1)N(CCC#N)CCC#N)/C=N\c1ccc(cc1)F	InChI=1S/C19H17FN4/c20-17-5-7-18(8-6-17)23-15-16-3-9-19(10-4-16)24(13-1-11-21)14-2-12-22/h3-10,15H,1-2,13-14H2/b23-15-	C19H17FN4	320.363	4	0	63.18	2	7	0	0.6209	4.70105	3	4.016	42.2415	95.526	2.5124	311.720803164841
Cond-010748	NSC620279	620279	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.4409327363926	c1(ccc(cc1)N(CCC#N)CCC#N)/C=N\c1ccc(cc1)C(=O)OCC	InChI=1S/C22H22N4O2/c1-2-28-22(27)19-7-9-20(10-8-19)25-17-18-5-11-21(12-6-18)26(15-3-13-23)16-4-14-24/h5-12,17H,2-4,15-16H2,1H3/b25-17-	C22H22N4O2	374.436	6	0	89.48	2	10	0	0.4028	4.73865000000001	3.22	4.038	57.6512	111.5245	2.9918	372.485192892458
Cond-010749	NSC620280	620280	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.633296368955	c1(ccc(cc1)N(CCC#N)CCC#N)/C=N\c1c(n(n(c1=O)c1ccccc1)C)C	InChI=1S/C24H24N6O/c1-19-23(24(31)30(28(19)2)22-8-4-3-5-9-22)27-18-20-10-12-21(13-11-20)29(16-6-14-25)17-7-15-26/h3-5,8-13,18H,6-7,16-17H2,1-2H3/b27-18-	C24H24N6O	412.487	7	0	86.73	3	8	0	-0.3644	4.91094000000001	3.33	3.607	72.1117	123.196	3.2629	405.287538458364
Cond-010750	NSC620358	620358	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.88992421897663	C1CCC([C@@H]2C1([C@H]1C3(CC2)CC(CC1)(C(=C)C3=O)O)C)(C)C(=O)OC	InChI=1S/C21H30O4/c1-13-16(22)20-10-6-14-18(2,15(20)7-11-21(13,24)12-20)8-5-9-19(14,3)17(23)25-4/h14-15,24H,1,5-12H2,2-4H3/t14-,15-,18?,19?,20?,21?/m0/s1	C21H30O4	346.461	4	1	63.6	4	2	0	0.414099999999998	3.58248	3.33	2.988	93.172	96.6488000000001	2.7389	349.597831740647
Cond-010751	NSC620358	620358	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	66.9202584137071	C1CCC([C@@H]2C1([C@H]1C3(CC2)CC(CC1)(C(=C)C3=O)O)C)(C)C(=O)OC	InChI=1S/C21H30O4/c1-13-16(22)20-10-6-14-18(2,15(20)7-11-21(13,24)12-20)8-5-9-19(14,3)17(23)25-4/h14-15,24H,1,5-12H2,2-4H3/t14-,15-,18?,19?,20?,21?/m0/s1	C21H30O4	346.461	4	1	63.6	4	2	0	0.414099999999998	3.58248	3.33	2.988	93.172	96.6488000000001	2.7389	349.597831740647
Cond-010752	NSC621094	621094	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.042449256345	N(=N\c1ccc(cc1)F)/C1C(=O)N(N=C1C)C(=O)c1ccncc1	InChI=1S/C16H12FN5O2/c1-10-14(20-19-13-4-2-12(17)3-5-13)16(24)22(21-10)15(23)11-6-8-18-9-7-11/h2-9,14H,1H3/b20-19+	C16H12FN5O2	325.297	7	0	87.35	3	4	0	-0.5314	2.99757	2.34	3.316	28.6058	88.467	2.2413	278.690062896529
Cond-010753	NSC621486	621486	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	71.2740275283296	c1(c(cc2c(c1)n(=O)c(c(n2=O)C(=O)/C=C/c1c(cccc1)N(=O)=O)C)C)C	InChI=1S/C20H17N3O5/c1-12-10-17-18(11-13(12)2)22(26)20(14(3)21(17)25)19(24)9-8-15-6-4-5-7-16(15)23(27)28/h4-11H,1-3H3/b9-8+	C20H17N3O5	379.366	8	0	114.09	3	4	0	1.6971	2.89464	2.78	4.559	40.1062	106.591	2.7207	332.647143534241
Cond-010754	NSC621889	621889	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.153997258341	C1CCC(=O)C1C[N+](C)(C)C.[I-]	InChI=1S/C9H18NO.HI/c1-10(2,3)7-8-5-4-6-9(8)11;/h8H,4-7H2,1-3H3;1H/q+1;/p-1	C9H18INO	283.15	2	0	17.07	1	2	0	-1.5315	1.29569	2.23	-0.117	42.6825	48.4904	1.4051	170.332619191128
Cond-010755	NSC622116	622116	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2081014677863	[Mo]	InChI=1S/Mo	Mo	95.96	0	0	0	0	0	0	NA	-0.0025	1.35	0	NA	0	0	NA
Cond-010756	NSC622124	622124	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7694462543675	[Mo]	InChI=1S/Mo	Mo	95.96	0	0	0	0	0	0	NA	-0.0025	1.35	0	NA	0	0	NA
Cond-010757	NSC622586	622586	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.204103033779	N(C)(C)C(=S)/N=c\1/n(/c(=N/C(=S)N(C)C)/ss1)c1ccc(OC)cc1	InChI=1S/C15H19N5OS4/c1-18(2)12(22)16-14-20(10-6-8-11(21-5)9-7-10)15(25-24-14)17-13(23)19(3)4/h6-9H,1-5H3/b16-14-,17-15-	C15H19N5OS4	413.604	6	0	158.45	2	6	0	2.4065	3.72638	2.01	3.105	91.056	119.334	2.9156	351.738223753396
Cond-010758	NSC622589	622589	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.2170760314561	N(C)(C)C(=S)/N=c\1/n(/c(=N/C(=S)N(C)C)/ss1)c1ccc2c(c1)OCO2	InChI=1S/C15H17N5O2S4/c1-18(2)12(23)16-14-20(15(26-25-14)17-13(24)19(3)4)9-5-6-10-11(7-9)22-8-21-10/h5-7H,8H2,1-4H3/b16-14-,17-15-	C15H17N5O2S4	427.588	7	0	167.68	3	5	0	2.1556	3.94727	1.9	2.588	91.2123	120.966	2.8657	348.171991753157
Cond-010759	NSC622608	622608	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.6383026976941	N(C)(C)c1n/c(=N/Cc2ccco2)/ss1.Br	InChI=1S/C9H11N3OS2.BrH/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7;/h3-5H,6H2,1-2H3;1H/b10-8-;	C9H12BrN3OS2	322.245	4	0	91.7	2	3	0	0.9678	1.98719	1.79	1.566	47.8243	68.639	1.6726	196.860123569061
Cond-010760	NSC622616	622616	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.7641338823364	c1c(O)cc(O)c2c1oc(=O)c(c2C)CCC(=O)OCC	InChI=1S/C15H16O6/c1-3-20-13(18)5-4-10-8(2)14-11(17)6-9(16)7-12(14)21-15(10)19/h6-7,16-17H,3-5H2,1-2H3	C15H16O6	292.284	6	2	93.06	2	5	0	0.0657000000000001	2.68557	2.45	0.926	50.4982	78.1096	2.0991	269.305918685767
Cond-010761	NSC622627	622627	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.30214440687471	c1c(cc(c(c1N(=O)=O)CCl)N(=O)=O)C(F)(F)F	InChI=1S/C8H4ClF3N2O4/c9-3-5-6(13(15)16)1-4(8(10,11)12)2-7(5)14(17)18/h1-2H,3H2	C8H4ClF3N2O4	284.577	6	0	86.28	1	4	0	3.1742	2.9146	1.24	4.138	24.5424	57.898	1.5221	201.053755042864
Cond-010762	NSC622627	622627	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	76.3534908972806	c1c(cc(c(c1N(=O)=O)CCl)N(=O)=O)C(F)(F)F	InChI=1S/C8H4ClF3N2O4/c9-3-5-6(13(15)16)1-4(8(10,11)12)2-7(5)14(17)18/h1-2H,3H2	C8H4ClF3N2O4	284.577	6	0	86.28	1	4	0	3.1742	2.9146	1.24	4.138	24.5424	57.898	1.5221	201.053755042864
Cond-010763	NSC622640	622640	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.7972694565695	c1(cc(cc(c1C(=O)N)N(=O)=O)C(F)(F)F)N(=O)=O	InChI=1S/C8H4F3N3O5/c9-8(10,11)3-1-4(13(16)17)6(7(12)15)5(2-3)14(18)19/h1-2H,(H2,12,15)	C8H4F3N3O5	279.13	8	2	129.37	1	4	0	1.7835	0.96599	1.13	2.193	21.6561	59.2614	1.5152	202.993215480358
Cond-010764	NSC622684	622684	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	83.1384014839582	c1ccccc1CSC(=N)NC(=O)OCC.Cl	InChI=1S/C11H14N2O2S.ClH/c1-2-15-11(14)13-10(12)16-8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3,(H2,12,13,14);1H	C11H15ClN2O2S	274.767	4	2	87.48	1	7	0	1.424	1.85916	2.12	3.939	37.4887	67.7194	1.8154	220.456535255589
Cond-010765	NSC622690	622690	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.9639743057516	S1S/C(=C/2\C=C(N=C2C)C)/N=C1N(C)C.[Cl](=O)(=O)(=O)O	InChI=1S/C10H13N3S2.ClHO4/c1-6-5-8(7(2)11-6)9-12-10(13(3)4)15-14-9;2-1(3,4)5/h5H,1-4H3;(H,2,3,4,5)/b9-8+;	C10H14ClN3O4S2	339.819	3	0	78.56	2	1	0	2.0739	2.53666	2.01	1.306	70.2257	71.286	1.7548	216.265881494367
Cond-010766	NSC622732	622732	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	57.8404885303948	c1c(Cl)ccc(c1)Nc1cccc2c1cc1cnn(C)c1n2	InChI=1S/C17H13ClN4/c1-22-17-11(10-19-22)9-14-15(3-2-4-16(14)21-17)20-13-7-5-12(18)6-8-13/h2-10,20H,1H3	C17H13ClN4	308.765	4	1	42.74	4	2	0	0.4394	5.92897	2.78	3.923	17.5103	93.0747	2.2041	245.032342833234
Cond-010767	NSC623051	623051	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	86.0620070224438	c1cccc2c1nc(o2)C1C(=O)C(=O)N(C(=O)C1=O)c1c(cc(cc1)Cl)C	InChI=1S/C19H11ClN2O5/c1-9-8-10(20)6-7-12(9)22-18(25)15(23)14(16(24)19(22)26)17-21-11-4-2-3-5-13(11)27-17/h2-8,14H,1H3	C19H11ClN2O5	382.754	7	0	97.55	4	2	0	-0.1984	3.5253	2.67	2.43	39.4334	99.323	2.4938	307.20900776984
Cond-010768	NSC623059	623059	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	53.9252889241773	c1c(OC)cc2c(c1)nc(s2)NC(=O)C(=O)CC(=O)c1ccc(cc1)Cl	InChI=1S/C18H13ClN2O4S/c1-25-12-6-7-13-16(8-12)26-18(20-13)21-17(24)15(23)9-14(22)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,24)	C18H13ClN2O4S	388.825	6	1	113.6	3	7	0	0.1555	4.97807	2.56	3.351	43.4076	104.7352	2.6093	314.624737902612
Cond-010769	NSC623059	623059	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	81.4322314450672	c1c(OC)cc2c(c1)nc(s2)NC(=O)C(=O)CC(=O)c1ccc(cc1)Cl	InChI=1S/C18H13ClN2O4S/c1-25-12-6-7-13-16(8-12)26-18(20-13)21-17(24)15(23)9-14(22)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,24)	C18H13ClN2O4S	388.825	6	1	113.6	3	7	0	0.1555	4.97807	2.56	3.351	43.4076	104.7352	2.6093	314.624737902612
Cond-010770	NSC623093	623093	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	n1c(c(=O)n(c(=S)n1C(=S)Nc1ccccc1)C(=S)Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F	InChI=1S/C25H17F3N6O2S3/c26-25(27,28)21(36)31-18-14-8-7-13-17(18)19-20(35)33(22(37)29-15-9-3-1-4-10-15)24(39)34(32-19)23(38)30-16-11-5-2-6-12-16/h1-14H,(H,29,37)(H,30,38)(H,31,36)	C25H17F3N6O2S3	586.632	8	3	185.34	4	10	1	2.071	7.14876	2.67	7.519	74.2212	158.2441	3.81150000000001	476.57412240611
Cond-010771	NSC623095	623095	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	n1c(c(=O)nc2n1c(=O)/c(=C\c1ccc(N(C)C)cc1)/s2)c1ccccc1NC(=O)C(F)(F)F	InChI=1S/C22H16F3N5O3S/c1-29(2)13-9-7-12(8-10-13)11-16-19(32)30-21(34-16)27-18(31)17(28-30)14-5-3-4-6-15(14)26-20(33)22(23,24)25/h3-11H,1-2H3,(H,26,33)/b16-11+	C22H16F3N5O3S	487.454	8	1	119.74	4	6	0	0.335700000000001	3.81906	2.56	4.78	70.5931	127.6887	3.1497	404.270963008104
Cond-010772	NSC623135	623135	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	69.7494865150244	c1cccc2c1c(c1c(c2COC(=O)C)cc(c2c1cccc2)F)C	InChI=1S/C22H17FO2/c1-13-15-7-3-4-8-16(15)20(12-25-14(2)24)19-11-21(23)17-9-5-6-10-18(17)22(13)19/h3-11H,12H2,1-2H3	C22H17FO2	332.368	2	0	26.3	4	3	1	1.0521	5.27081	3.55	8.004	22.8029	100.515	2.4791	293.325710910097
Cond-010773	NSC623637	623637	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6840062585168	c1cc(cc2c(COc3c(C(=O)OC)cccc3)cc(=O)oc12)C	InChI=1S/C19H16O5/c1-12-7-8-17-15(9-12)13(10-18(20)24-17)11-23-16-6-4-3-5-14(16)19(21)22-2/h3-10H,11H2,1-2H3	C19H16O5	324.327	5	0	61.83	3	5	1	0.5851	3.93538	3	5.017	39.1369	93.2735	2.3664	298.533795685473
Cond-010774	NSC623746	623746	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.645415358178	C1(=O)C(=C(SC1)Nc1ccc(cc1)NC1=C(C(=O)CS1)C(=O)OCC)C(=O)OCC	InChI=1S/C20H20N2O6S2/c1-3-27-19(25)15-13(23)9-29-17(15)21-11-5-7-12(8-6-11)22-18-16(14(24)10-30-18)20(26)28-4-2/h5-8,21-22H,3-4,9-10H2,1-2H3	C20H20N2O6S2	448.513	8	2	161.4	3	10	0	0.495400000000001	3.37796	2.56	3.556	88.846	118.8814	3.0926	394.531575543435
Cond-010775	NSC624158	624158	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7859567590376	C(=C\CSS(=O)(=O)c1ccc(C)cc1)\CSS(=O)(=O)c1ccc(C)cc1	InChI=1S/C18H20O4S4/c1-15-5-9-17(10-6-15)25(19,20)23-13-3-4-14-24-26(21,22)18-11-7-16(2)8-12-18/h3-12H,13-14H2,1-2H3/b4-3-	C18H20O4S4	428.609	4	0	135.64	2	8	1	2.1058	4.79681000000001	2.56	5.322	63.6174	99.714	3.0154	364.113056691846
Cond-010776	NSC624161	624161	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.462685593412	C(=C\CSS(=O)(=O)O)\CSS(=O)(=O)O.[Na+]	InChI=1S/C4H8O6S4.Na/c5-13(6,7)11-3-1-2-4-12-14(8,9)10;/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10);/q;+1/b2-1-;	C4H8NaO6S4+	303.352	6	2	176.1	0	6	0	0.5892	2.70239	0.8	-1.304	57.1688	56.9716	1.6354	201.881394937233
Cond-010777	NSC624169	624169	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9754895011586	c1cccc(c1CSSCCN)CSSCCN.Cl	InChI=1S/C12H20N2S4.ClH/c13-5-7-15-17-9-11-3-1-2-4-12(11)10-18-16-8-6-14;/h1-4H,5-10,13-14H2;1H	C12H21ClN2S4	357.022	2	4	153.24	1	10	0	0.932199999999999	2.6878	2.12	3.496	67.8914	90.5448	2.4154	280.972056054734
Cond-010778	NSC624206	624206	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	60.6142125851942	c1(Cl)ccc(cc1)CSSCCNCCCCCCCCCC.Cl	InChI=1S/C19H32ClNS2.ClH/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18;/h10-13,21H,2-9,14-17H2,1H3;1H	C19H33Cl2NS2	410.508	1	1	62.63	1	15	2	-0.701200000000001	6.6122	3.11	8.185	72.5429	109.9287	3.0973	369.240207882869
Cond-010779	NSC624206	624206	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	53.6847297527069	c1(Cl)ccc(cc1)CSSCCNCCCCCCCCCC.Cl	InChI=1S/C19H32ClNS2.ClH/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18;/h10-13,21H,2-9,14-17H2,1H3;1H	C19H33Cl2NS2	410.508	1	1	62.63	1	15	2	-0.701200000000001	6.6122	3.11	8.185	72.5429	109.9287	3.0973	369.240207882869
Cond-010780	NSC624358	624358	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	75.3929498138986	C1CC2C3C(C1)C2(CC(C3=O)(Br)Br)C	InChI=1S/C11H14Br2O/c1-10-5-11(12,13)9(14)8-6(10)3-2-4-7(8)10/h6-8H,2-5H2,1H3	C11H14Br2O	322.036	1	0	17.07	1	0	0	1.5911	3.73159	2.34	3.727	61.0548	65.88	1.6984	206.463919437828
Cond-010781	NSC624358	624358	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.44352871554777	C1CC2C3C(C1)C2(CC(C3=O)(Br)Br)C	InChI=1S/C11H14Br2O/c1-10-5-11(12,13)9(14)8-6(10)3-2-4-7(8)10/h6-8H,2-5H2,1H3	C11H14Br2O	322.036	1	0	17.07	1	0	0	1.5911	3.73159	2.34	3.727	61.0548	65.88	1.6984	206.463919437828
Cond-010782	NSC624947	624947	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.9102997423838	c1(nc(=O)[nH]c(c1C(=O)Nc1ccc(cc1)Cl)C)N/N=C/c1ccc(cc1)Cl	InChI=1S/C19H15Cl2N5O2/c1-11-16(18(27)24-15-8-6-14(21)7-9-15)17(25-19(28)23-11)26-22-10-12-2-4-13(20)5-3-12/h2-10H,1H3,(H,24,27)(H2,23,25,26,28)/b22-10+	C19H15Cl2N5O2	416.261	7	3	94.95	3	6	1	-0.1547	3.87095	2.56	5.855	56.3236	115.3871	2.8481	352.296134763891
Cond-010783	NSC624953	624953	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.480251215582	C1(OC(C(C(C1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCC=C)CO[Si](C)(C)C(C)(C)C	InChI=1S/C36H48O6Si/c1-7-23-37-35-34(40-26-30-21-15-10-16-22-30)33(39-25-29-19-13-9-14-20-29)32(38-24-28-17-11-8-12-18-28)31(42-35)27-41-43(5,6)36(2,3)4/h7-22,31-35H,1,23-27H2,2-6H3	C36H48O6Si	604.848	6	0	55.38	4	16	2	2.7475	7.06168000000001	4.65	11.187	91.2514	167.967	4.91450000000001	610.971687749768
Cond-010784	NSC625331	625331	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.029214632667	c1nccc2c1c1c([nH]2)c(cnc1NCCCN(CC)CC)C.OC(=O)/C=C\C(=O)O	InChI=1S/C18H25N5.C4H4O4/c1-4-23(5-2)10-6-8-20-18-16-14-12-19-9-7-15(14)22-17(16)13(3)11-21-18;5-3(6)1-2-4(7)8/h7,9,11-12,22H,4-6,8,10H2,1-3H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1-	C22H29N5O4	427.497	5	2	56.84	3	7	0	0.255000000000001	3.61140000000001	2.89	1.893	47.3171	98.4437	2.56	289.279854700035
Cond-010785	NSC625355	625355	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.5337257412592	O1C(C(C(C1n1c(=O)nccc1)F)O)CO	InChI=1S/C9H11FN2O4/c10-6-7(14)5(4-13)16-8(6)12-3-1-2-11-9(12)15/h1-3,5-8,13-14H,4H2	C9H11FN2O4	230.193	6	2	82.36	2	2	0	-1.5591	-1.15543	1.68	-0.956	49.983	54.9156	1.4826	194.820012898484
Cond-010786	NSC625483	625483	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.931901557892	c1ccc2c(c1)nc1n2C(SC1)c1c(cccc1Cl)F	InChI=1S/C15H10ClFN2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2	C15H10ClFN2S	304.77	2	0	43.12	4	1	0	1.9716	4.5608	2.56	4.811	25.0693	83.131	1.9899	229.196353474673
Cond-010787	NSC625487	625487	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.323586418119	c1ccc2c(c1)nc1n2C(SC1)c1c(cccc1F)F	InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2	C15H10F2N2S	288.315	2	0	43.12	4	1	0	1.707	4.0465	2.56	4.674	20.3262	78.079	1.8852	220.052844554547
Cond-010788	NSC625590	625590	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	6.75711285574289	c1cc(c2c(c1C(=N)c1c3c(ccc(c3)OC)ccc1)CCC2)C	InChI=1S/C22H21NO/c1-14-9-12-20(18-7-4-6-17(14)18)22(23)19-8-3-5-15-10-11-16(24-2)13-21(15)19/h3,5,8-13,23H,4,6-7H2,1-2H3	C22H21NO	315.408	2	1	33.08	4	3	1	0.3214	4.77871	3.66	7.869	32.0634	100.0237	2.5455	303.001144268196
Cond-010789	NSC625590	625590	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	90.131341549417	c1cc(c2c(c1C(=N)c1c3c(ccc(c3)OC)ccc1)CCC2)C	InChI=1S/C22H21NO/c1-14-9-12-20(18-7-4-6-17(14)18)22(23)19-8-3-5-15-10-11-16(24-2)13-21(15)19/h3,5,8-13,23H,4,6-7H2,1-2H3	C22H21NO	315.408	2	1	33.08	4	3	1	0.3214	4.77871	3.66	7.869	32.0634	100.0237	2.5455	303.001144268196
Cond-010790	NSC625639	625639	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.516547492249	Cc1ccccc1NC(=O)/C=N/O	InChI=1S/C9H10N2O2/c1-7-4-2-3-5-8(7)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+	C9H10N2O2	178.188	4	2	61.69	1	3	0	0.4172	2.00181	2.01	2.51	22.7592	52.7422	1.3701	167.355541946256
Cond-010791	NSC625641	625641	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.2962964755994	c1(c(cccc1Cl)Nc1c(C)cc(N(=O)=O)cc1)C	InChI=1S/C14H13ClN2O2/c1-9-8-11(17(18)19)6-7-13(9)16-14-5-3-4-12(15)10(14)2/h3-8,16H,1-2H3	C14H13ClN2O2	276.718	4	1	55.17	2	3	0	2.268	4.79763	2.45	4.695	23.8098	78.0447	2.0024	240.517156743623
Cond-010792	NSC625748	625748	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.201985095129	c1(nnc(nn1)N1CCC1)N1CCC1	InChI=1S/C8H12N6/c1-3-13(4-1)7-9-11-8(12-10-7)14-5-2-6-14/h1-6H2	C8H12N6	192.221	6	0	58.04	3	2	0	-0.5032	0.49718	1.68	0.486	30.468	53.364	1.3798	157.026144751934
Cond-010793	NSC625873	625873	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.343010361311	c1(nc(nn(c1=S)C1OC(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)c1ccccc1)Cc1c(cccc1)OC	InChI=1S/C31H33N3O10S/c1-17(35)40-16-25-26(41-18(2)36)27(42-19(3)37)28(43-20(4)38)30(44-25)34-31(45)23(15-22-13-9-10-14-24(22)39-5)32-29(33-34)21-11-7-6-8-12-21/h6-14,25-28,30H,15-16H2,1-5H3	C31H33N3O10S	639.673	13	0	183.71	4	14	3	-1.0065	3.29817	3.33	5.095	109.8639	168.967	4.533	578.63375587678
Cond-010794	NSC626120	626120	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.292936989663	C1(C(OC(C1O)OC)COCc1ccc(cc1)Cl)OCc1ccc(cc1)Cl	InChI=1S/C20H22Cl2O5/c1-24-20-18(23)19(26-11-14-4-8-16(22)9-5-14)17(27-20)12-25-10-13-2-6-15(21)7-3-13/h2-9,17-20,23H,10-12H2,1H3	C20H22Cl2O5	413.292	5	1	57.15	3	8	0	0.529999999999999	3.1486	2.89	3.558	53.4767	101.3018	2.8811	354.161291954607
Cond-010795	NSC626433	626433	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	97.9867525326151	c1(cc(C=O)on1)N(=O)=O	InChI=1S/C4H2N2O4/c7-2-3-1-4(5-10-3)6(8)9/h1-2H	C4H2N2O4	142.07	6	0	86.24	1	2	0	0.3136	0.62788	1.24	0.676	11.803	34.481	0.826	101.092530918845
Cond-010796	NSC626734	626734	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.44315687104	C1(=O)C(C(N(C(C1C)c1ccc(cc1)OC)N=O)c1ccc(cc1)OC)C	InChI=1S/C21H24N2O4/c1-13-19(15-5-9-17(26-3)10-6-15)23(22-25)20(14(2)21(13)24)16-7-11-18(27-4)12-8-16/h5-14,19-20H,1-4H3	C21H24N2O4	368.426	6	0	68.2	3	5	0	0.00759999999999883	3.1282	3.11	3.701	54.1387	99.6500000000001	2.8321	348.96551735378
Cond-010797	NSC627666	627666	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.1750520841491	COc1c(OC)c2c3c(c1)CCN(C3(C#N)Cc1c2cc2c(c1)OCO2)C(=O)c1ccccc1	InChI=1S/C27H22N2O5/c1-31-22-10-17-8-9-29(26(30)16-6-4-3-5-7-16)27(14-28)13-18-11-20-21(34-15-33-20)12-19(18)23(24(17)27)25(22)32-2/h3-7,10-12H,8-9,13,15H2,1-2H3	C27H22N2O5	454.474	7	0	81.02	6	4	0	-0.7029	4.34728	3.66	3.945	51.9654	126.9675	3.2384	403.016440903941
Cond-010798	NSC627708	627708	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.350881201822	c1cccc(c1S(=O)(=O)c1ccc(cc1)C)N(=O)=O	InChI=1S/C13H11NO4S/c1-10-6-8-11(9-7-10)19(17,18)13-5-3-2-4-12(13)14(15)16/h2-9H,1H3	C13H11NO4S	277.296	5	0	85.66	2	3	0	0.8769	3.3904	2.23	4.215	18.0337	67.309	1.9202	233.102821597878
Cond-010799	NSC62791	62791	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.33236765328	C1C(CC2=CC=C3C(C2(C1)C)CCC1(C3CCC1C(C)/C=C\C(C)C(C)C)C)O	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7-	C28H44O	396.648	1	1	20.23	4	4	1	2.2555	7.10937000000001	4.43	9.499	124.0572	122.6718	3.5491	444.299044020031
Cond-010800	NSC629301	629301	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	92.9922055016366	c12cccc3c1c(co2)C1C=CC3C(C1(C#N)C#N)(C#N)C#N	InChI=1S/C18H8N4O/c19-7-17(8-20)13-4-5-14(18(17,9-21)10-22)12-6-23-15-3-1-2-11(13)16(12)15/h1-6,13-14H	C18H8N4O	296.282	5	0	108.3	3	0	0	-0.2901	3.24292	2.89	1.104	49.4217	79.402	2.1093	267.161651586029
Cond-010801	NSC629659	629659	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	97.4545571025455	c1cccc(c1)C1=NN(C(=O)CC1)c1sc2c(n1)cccc2	InChI=1S/C17H13N3OS/c21-16-11-10-13(12-6-2-1-3-7-12)19-20(16)17-18-14-8-4-5-9-15(14)22-17/h1-9H,10-11H2	C17H13N3OS	307.37	4	0	73.8	4	2	1	-0.0802	4.89126	2.78	5.01	30.9365	94.842	2.2041	257.023765612795
Cond-010802	NSC629713	629713	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	22.5635083363597	c1cccc2c1C(=O)c1c(C2=O)nc(c(n1)c1ccccc1)c1ccccc1	InChI=1S/C24H14N2O2/c27-23-17-13-7-8-14-18(17)24(28)22-21(23)25-19(15-9-3-1-4-10-15)20(26-22)16-11-5-2-6-12-16/h1-14H	C24H14N2O2	362.38	4	0	59.92	5	2	1	-0.5276	5.05638	3.66	7.6	10.692	112.0415	2.6622	320.941348223857
Cond-010803	NSC629738	629738	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.132365132517	c12ccccc1cccc2C(=O)NCCCCCCCCNC(=O)c1cccc2c1cccc2	InChI=1S/C30H32N2O2/c33-29(27-19-11-15-23-13-5-7-17-25(23)27)31-21-9-3-1-2-4-10-22-32-30(34)28-20-12-16-24-14-6-8-18-26(24)28/h5-8,11-20H,1-4,9-10,21-22H2,(H,31,33)(H,32,34)	C30H32N2O2	452.587	4	2	58.2	4	13	2	-2.9744	6.46179000000001	4.32	11.024	41.777	143.2859	3.7022	442.346632081458
Cond-010804	NSC629971	629971	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.3528408380414	c1cc(c2c(c1)nc1c(c2)Cn2c1cc1c(c2=O)COC(=O)C1(CC)O)N	InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3	C20H17N3O4	363.367	7	3	105.75	5	1	0	-2.3369	1.55126	2.89	0.892	58.5823	100.1042	2.5308	315.31691683368
Cond-010805	NSC630374	630374	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.397667556734	c1ccc2c(c1)c(=O)n(nn2)OC(=O)CCc1ccccc1	InChI=1S/C16H13N3O3/c20-15(11-10-12-6-2-1-3-7-12)22-19-16(21)13-8-4-5-9-14(13)17-18-19/h1-9H,10-11H2	C16H13N3O3	295.293	6	0	71.33	3	5	1	-0.2079	3.61568	2.56	5.28	27.862	83.3835	2.1257	262.055669031251
Cond-010806	NSC631152	631152	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.6467334396474	n1nnn(c1Sc1n(cnc1N(=O)=O)C)c1ccccc1	InChI=1S/C11H9N7O2S/c1-16-7-12-9(18(19)20)10(16)21-11-13-14-15-17(11)8-5-3-2-4-6-8/h2-7H,1H3	C11H9N7O2S	303.3	9	0	129.34	3	4	0	1.3794	2.14376	1.57	2.695	23.1762	74.298	1.9682	221.018042792423
Cond-010807	NSC631160	631160	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.682686886553	n1nc(n(c1Sc1n(cnc1N(=O)=O)C)C)c1cccnc1	InChI=1S/C12H11N7O2S/c1-17-7-14-10(19(20)21)11(17)22-12-16-15-9(18(12)2)8-4-3-5-13-6-8/h3-7H,1-2H3	C12H11N7O2S	317.326	9	0	129.86	3	4	0	1.4817	2.78795	1.68	1.539	28.8729	80.861	2.1091	238.314027418289
Cond-010808	NSC631521	631521	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	88.0369338231714	c1cc2c(cc1)C(=O)c1c(C2=O)sc(n1)Nc1cc(c(cc1)Cl)Cl	InChI=1S/C17H8Cl2N2O2S/c18-11-6-5-8(7-12(11)19)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)	C17H8Cl2N2O2S	375.229	4	1	87.3	4	2	0	1.1312	5.94257	2.56	4.351	33.0167	99.4712	2.3648	282.602908945256
Cond-010809	NSC631521	631521	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	5.69883120089223	c1cc2c(cc1)C(=O)c1c(C2=O)sc(n1)Nc1cc(c(cc1)Cl)Cl	InChI=1S/C17H8Cl2N2O2S/c18-11-6-5-8(7-12(11)19)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)	C17H8Cl2N2O2S	375.229	4	1	87.3	4	2	0	1.1312	5.94257	2.56	4.351	33.0167	99.4712	2.3648	282.602908945256
Cond-010810	NSC631529	631529	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.5644135928365	c1ccc2c(c1)C(=O)c1c(C2=O)sc(n1)Nc1ccc(Cl)cc1	InChI=1S/C17H9ClN2O2S/c18-9-5-7-10(8-6-9)19-17-20-13-14(21)11-3-1-2-4-12(11)15(22)16(13)23-17/h1-8H,(H,19,20)	C17H9ClN2O2S	340.784	4	1	87.3	4	2	0	0.3869	5.28917	2.67	4.255	27.4011	94.4612	2.2424	267.391841174823
Cond-010811	NSC631529	631529	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.61944173629959	c1ccc2c(c1)C(=O)c1c(C2=O)sc(n1)Nc1ccc(Cl)cc1	InChI=1S/C17H9ClN2O2S/c18-9-5-7-10(8-6-9)19-17-20-13-14(21)11-3-1-2-4-12(11)15(22)16(13)23-17/h1-8H,(H,19,20)	C17H9ClN2O2S	340.784	4	1	87.3	4	2	0	0.3869	5.28917	2.67	4.255	27.4011	94.4612	2.2424	267.391841174823
Cond-010812	NSC631583	631583	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.300197113609	n1cccc2c1c1c(cc2)C(C(=C(O1)N)C#N)c1ccccc1	InChI=1S/C19H13N3O/c20-11-15-16(12-5-2-1-3-6-12)14-9-8-13-7-4-10-22-17(13)18(14)23-19(15)21/h1-10,16H,21H2	C19H13N3O	299.326	4	2	71.93	4	1	1	-0.5218	3.92947	3.11	5.233	22.8266	89.8644	2.2364	267.833793405329
Cond-010813	NSC632233	632233	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	12.4951263810201	c1cccc2c1sc(n2)Cc1ccc(c(c1)OC)OC	InChI=1S/C16H15NO2S/c1-18-13-8-7-11(9-14(13)19-2)10-16-17-12-5-3-4-6-15(12)20-16/h3-9H,10H2,1-2H3	C16H15NO2S	285.361	3	0	59.59	3	4	0	0.5494	3.63419	2.78	3.959	27.2905	78.81	2.1169	244.153863373556
Cond-010814	NSC632233	632233	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.4875862880938	c1cccc2c1sc(n2)Cc1ccc(c(c1)OC)OC	InChI=1S/C16H15NO2S/c1-18-13-8-7-11(9-14(13)19-2)10-16-17-12-5-3-4-6-15(12)20-16/h3-9H,10H2,1-2H3	C16H15NO2S	285.361	3	0	59.59	3	4	0	0.5494	3.63419	2.78	3.959	27.2905	78.81	2.1169	244.153863373556
Cond-010815	NSC632536	632536	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.547475758733	C1(NC(CC(C1)Nc1ccc(cc1)Nc1ccccc1)(C)C)(C)C	InChI=1S/C21H29N3/c1-20(2)14-19(15-21(3,4)24-20)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,19,22-24H,14-15H2,1-4H3	C21H29N3	323.475	3	3	36.09	3	4	1	0.387799999999999	5.75139000000001	3.44	5.97	49.7375	104.3481	2.7831	330.074288161302
Cond-010816	NSC632839	632839	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	87.7628622378928	c1(ccc(cc1)/C=C\1/C(=O)/C(=C/c2ccc(cc2)C)/CNC1)C.Cl	InChI=1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;	C21H22ClNO	339.858	2	1	29.1	3	2	1	1.1674	3.25041	3.55	7.866	47.2716	95.1137	2.5132	308.961618343129
Cond-010817	NSC632839	632839	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	12.6070944808472	c1(ccc(cc1)/C=C\1/C(=O)/C(=C/c2ccc(cc2)C)/CNC1)C.Cl	InChI=1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;	C21H22ClNO	339.858	2	1	29.1	3	2	1	1.1674	3.25041	3.55	7.866	47.2716	95.1137	2.5132	308.961618343129
Cond-010818	NSC632841	632841	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	89.0009302397212	C1(=O)/C(=C/c2ccccc2)/CN(C/C/1=C\c1ccccc1)C(=O)C=C	InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	C22H19NO2	329.392	3	0	37.38	3	4	1	0.2698	3.54556	3.55	7.54	50.481	101.471	2.6268	329.774912267957
Cond-010819	NSC632841	632841	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	6.99742621602446	C1(=O)/C(=C/c2ccccc2)/CN(C/C/1=C\c1ccccc1)C(=O)C=C	InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	C22H19NO2	329.392	3	0	37.38	3	4	1	0.2698	3.54556	3.55	7.54	50.481	101.471	2.6268	329.774912267957
Cond-010820	NSC633001	633001	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.095356967493	c1cc(c(cc1)S(=O)(=O)c1ccccc1N(=O)=O)N(=O)=O	InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H	C12H8N2O6S	308.267	8	0	128.8	2	4	0	0.895	3.12958	1.79	3.568	16.4216	72.197	1.9535	241.7475918805
Cond-010821	NSC633209	633209	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.368410955744	c1n2c(sc1)nc(c2C(=O)NC(=O)Nc1ccc(cc1)Cl)Cl	InChI=1S/C13H8Cl2N4O2S/c14-7-1-3-8(4-2-7)16-12(21)18-11(20)9-10(15)17-13-19(9)5-6-22-13/h1-6H,(H2,16,18,20,21)	C13H8Cl2N4O2S	355.199	6	2	103.74	3	5	0	1.1306	4.26777	1.9	3.731	37.2934	90.1539	2.1954	253.041866960523
Cond-010822	NSC634224	634224	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.159116781194	c1cccc2c1C(=C(C2=O)c1cnc2c(n1)cccc2)O	InChI=1S/C17H10N2O2/c20-16-10-5-1-2-6-11(10)17(21)15(16)14-9-18-12-7-3-4-8-13(12)19-14/h1-9,20H	C17H10N2O2	274.274	4	1	63.08	4	1	0	-0.5547	3.33437	2.89	3.917	16.05	81.9618	1.9565	233.671749346789
Cond-010823	NSC634232	634232	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	75.0659695672047	C(=O)(CC(=O)c1ccccc1)CC(c1ccccc1)(c1ccccc1)O	InChI=1S/C23H20O3/c24-21(16-22(25)18-10-4-1-5-11-18)17-23(26,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,26H,16-17H2	C23H20O3	344.403	3	1	54.37	3	7	1	-1.2032	3.54929	3.66	7.945	24.658	102.2068	2.7266	333.964363386219
Cond-010824	NSC634396	634396	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.658141916413	c1cccc2c1SC(C(=O)N2)CC(=O)Nc1cccc(c1C)Cl	InChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)	C17H15ClN2O2S	346.831	4	2	83.5	3	4	0	0.585	5.2984	2.67	3.346	41.6662	97.0504	2.437	295.921217277223
Cond-010825	NSC63446	63446	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.370851758635	n1c(c2[nH]cnc2nc1N)S(=O)(=O)C	InChI=1S/C6H7N5O2S/c1-14(12,13)5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	C6H7N5O2S	213.217	7	3	123	2	1	0	-1.4932	0.18097	1.24	-0.28	21.8604	47.4164	1.3447	146.346892750756
Cond-010826	NSC634471	634471	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4428160147367	c1c(Cl)c(Cl)c(=O)n(n1)CCC(=O)OCC	InChI=1S/C9H10Cl2N2O3/c1-2-16-7(14)3-4-13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3	C9H10Cl2N2O3	265.093	5	0	58.97	1	5	0	0.844200000000001	2.01687	1.68	1.636	60.2871	64.564	1.7166	220.104362888483
Cond-010827	NSC634473	634473	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.581004220721	C1(=O)C(C(OC(=C1)C(=O)OC)c1ccccc1)C(=O)Nc1ccc(OC)cc1	InChI=1S/C21H19NO6/c1-26-15-10-8-14(9-11-15)22-20(24)18-16(23)12-17(21(25)27-2)28-19(18)13-6-4-3-5-7-13/h3-12,18-19H,1-2H3,(H,22,24)	C21H19NO6	381.379	7	1	90.93	3	7	0	-1.3741	3.06647	3	3.812	50.3015	102.9257	2.7637	350.276293145135
Cond-010828	NSC634503	634503	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	65.0943379296227	c1cccc2c1C(=O)C(=C(C2=O)C(C#N)C(=O)Nc1c(cccc1CC)CC)Cl	InChI=1S/C23H19ClN2O3/c1-3-13-8-7-9-14(4-2)20(13)26-23(29)17(12-25)18-19(24)22(28)16-11-6-5-10-15(16)21(18)27/h5-11,17H,3-4H2,1-2H3,(H,26,29)	C23H19ClN2O3	406.862	5	1	87.03	3	6	1	-0.0177000000000002	5.05427	3.33	5.064	62.4694	112.4037	3.0056	379.432492872185
Cond-010829	NSC634503	634503	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	58.1769621668292	c1cccc2c1C(=O)C(=C(C2=O)C(C#N)C(=O)Nc1c(cccc1CC)CC)Cl	InChI=1S/C23H19ClN2O3/c1-3-13-8-7-9-14(4-2)20(13)26-23(29)17(12-25)18-19(24)22(28)16-11-6-5-10-15(16)21(18)27/h5-11,17H,3-4H2,1-2H3,(H,26,29)	C23H19ClN2O3	406.862	5	1	87.03	3	6	1	-0.0177000000000002	5.05427	3.33	5.064	62.4694	112.4037	3.0056	379.432492872185
Cond-010830	NSC634568	634568	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.76644451707515	c1(=O)n(c(=O)n(c2c1nc1n2c2c(s1)C(=O)c1c(C2=O)cccc1)C)C	InChI=1S/C17H10N4O4S/c1-19-14-9(15(24)20(2)17(19)25)18-16-21(14)10-11(22)7-5-3-4-6-8(7)12(23)13(10)26-16/h3-6H,1-2H3	C17H10N4O4S	366.351	8	0	117.88	5	0	0	-0.896200000000001	2.65717	2.34	2.099	56.635	97.399	2.3284	290.298288521046
Cond-010831	NSC634568	634568	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.4687439239774	c1(=O)n(c(=O)n(c2c1nc1n2c2c(s1)C(=O)c1c(C2=O)cccc1)C)C	InChI=1S/C17H10N4O4S/c1-19-14-9(15(24)20(2)17(19)25)18-16-21(14)10-11(22)7-5-3-4-6-8(7)12(23)13(10)26-16/h3-6H,1-2H3	C17H10N4O4S	366.351	8	0	117.88	5	0	0	-0.896200000000001	2.65717	2.34	2.099	56.635	97.399	2.3284	290.298288521046
Cond-010832	NSC634650	634650	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.2697989383265	c1cccc2ccc(cc12)C(=O)CC1OC(=O)C=C1	InChI=1S/C16H12O3/c17-15(10-14-7-8-16(18)19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,14H,10H2	C16H12O3	252.265	3	0	43.37	3	3	0	-0.00939999999999987	3.05428	2.89	4.838	29.8283	74.8885	1.8693	231.70184710755
Cond-010833	NSC634658	634658	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.1562730213887	c1c(cccc1/C=C(/C(=O)Nc1ccccc1C)\C(=O)C)N(=O)=O	InChI=1S/C18H16N2O4/c1-12-6-3-4-9-17(12)19-18(22)16(13(2)21)11-14-7-5-8-15(10-14)20(23)24/h3-11H,1-2H3,(H,19,22)/b16-11+	C18H16N2O4	324.331	6	1	89.31	2	6	1	0.6856	3.7989	2.78	5.985	36.7025	95.0297	2.432	304.161104775379
Cond-010834	NSC634863	634863	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.029236872696	S1(=O)(=O)C(S(=O)(=O)OCCO1)Cc1ccccc1	InChI=1S/C10H12O6S2/c11-17(12)10(8-9-4-2-1-3-5-9)18(13,14)16-7-6-15-17/h1-5,10H,6-8H2	C10H12O6S2	292.329	6	0	103.5	2	2	0	-0.3746	1.6562	1.68	0.915999999999999	37.0373	56.8615	1.8506	227.753419774034
Cond-010835	NSC634926	634926	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	85.0316205132556	C1(CC(=Nc2c(S1=O)cccc2)c1cccc2c1cccc2)c1c2c(ccc1)cccc2	InChI=1S/C29H21NOS/c31-32-28-18-6-5-17-26(28)30-27(24-15-7-11-20-9-1-3-13-22(20)24)19-29(32)25-16-8-12-21-10-2-4-14-23(21)25/h1-18,29H,19H2	C29H21NOS	431.548	2	0	48.64	6	2	1	-0.6424	7.22178000000001	4.32	10.067	23.7154	130.1255	3.26310000000001	382.886849801263
Cond-010836	NSC634926	634926	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	51.9205917468668	C1(CC(=Nc2c(S1=O)cccc2)c1cccc2c1cccc2)c1c2c(ccc1)cccc2	InChI=1S/C29H21NOS/c31-32-28-18-6-5-17-26(28)30-27(24-15-7-11-20-9-1-3-13-22(20)24)19-29(32)25-16-8-12-21-10-2-4-14-23(21)25/h1-18,29H,19H2	C29H21NOS	431.548	2	0	48.64	6	2	1	-0.6424	7.22178000000001	4.32	10.067	23.7154	130.1255	3.26310000000001	382.886849801263
Cond-010837	NSC634928	634928	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	70.5791960177649	c1cc(c(cc1)C1C(=C(NC(=C1C(=O)NCc1ccccc1)C)C)C(=O)NCc1ccccc1)O	InChI=1S/C29H29N3O3/c1-19-25(28(34)30-17-21-11-5-3-6-12-21)27(23-15-9-10-16-24(23)33)26(20(2)32-19)29(35)31-18-22-13-7-4-8-14-22/h3-16,27,32-33H,17-18H2,1-2H3,(H,30,34)(H,31,35)	C29H29N3O3	467.559	6	4	90.46	4	9	1	-1.5313	3.66707000000001	3.99	7.814	62.1369	137.1519	3.67680000000001	453.101175663519
Cond-010838	NSC635121	635121	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.960805048133	c1cccc2c1SC(=CN2)/C(=N/NC(=O)c1c(cccc1)O)/C	InChI=1S/C17H15N3O2S/c1-11(16-10-18-13-7-3-5-9-15(13)23-16)19-20-17(22)12-6-2-4-8-14(12)21/h2-10,18,21H,1H3,(H,20,22)/b19-11+	C17H15N3O2S	325.385	5	3	99.02	3	4	1	-1.5206	3.94946	2.67	5.052	42.0151	96.4962	2.3714	289.070451014157
Cond-010839	NSC635140	635140	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4819540603416	c1(=O)[nH]c(=S)[nH]c(c1c1ccc(Cl)cc1)C(=O)OC	InChI=1S/C12H9ClN2O3S/c1-18-11(17)9-8(10(16)15-12(19)14-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H2,14,15,16,19)	C12H9ClN2O3S	296.729	5	2	99.52	2	3	0	0.7288	1.27958	2.01	2.356	48.9052	76.4454	1.9428	244.12443825005
Cond-010840	NSC635306	635306	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	80.0637463979865	c1c(Cl)cc(Cl)c2NC(=O)C3(c12)OC3C(=O)c1ccccc1	InChI=1S/C16H9Cl2NO3/c17-9-6-10-12(11(18)7-9)19-15(21)16(10)14(22-16)13(20)8-4-2-1-3-5-8/h1-7,14H,(H,19,21)	C16H9Cl2NO3	334.154	4	1	58.7	4	2	0	-0.00609999999999999	3.97009	2.56	3.271	31.2636	85.3892	2.1053	260.764284155784
Cond-010841	NSC635312	635312	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0209683243024	c1(cc(c2c(c1)C(C(=O)N2)(C(C(=O)c1ccccc1)c1ccccc1)O)Cl)Cl	InChI=1S/C22H15Cl2NO3/c23-15-11-16-19(17(24)12-15)25-21(27)22(16,28)18(13-7-3-1-4-8-13)20(26)14-9-5-2-6-10-14/h1-12,18,28H,(H,25,27)	C22H15Cl2NO3	412.265	4	2	66.4	4	4	1	-0.2999	5.34739	3.22	7.504	32.5079	111.918	2.8217	345.730815808585
Cond-010842	NSC635321	635321	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.499046348491	c1cc(c(c2c1C(C(=O)N2)(O)C(C(=O)c1ccccc1)c1ccccc1)C)Cl	InChI=1S/C23H18ClNO3/c1-14-18(24)13-12-17-20(14)25-22(27)23(17,28)19(15-8-4-2-5-9-15)21(26)16-10-6-3-7-11-16/h2-13,19,28H,1H3,(H,25,27)	C23H18ClNO3	391.847	4	2	66.4	4	4	1	-0.4022	4.72201	3.44	7.52	32.3944	110.548	2.8402	347.815732664019
Cond-010843	NSC635326	635326	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.047870908801	c1(cc(c2c(c1)C(C(=O)N2)(CC(=O)c1ccc(cc1)N(=O)=O)O)Cl)Cl	InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-1-3-10(4-2-8)20(24)25/h1-6,23H,7H2,(H,19,22)	C16H10Cl2N2O5	381.167	7	2	109.54	3	4	0	0.5397	3.45539	2.23	3.558	37.3255	95.6585	2.3881	299.061497765073
Cond-010844	NSC635328	635328	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	76.4266592337778	c1c(cc(c2c1C(C(=O)N2)(O)CC(=O)c1c2c(ccc1)cccc2)Cl)Cl	InChI=1S/C20H13Cl2NO3/c21-12-8-15-18(16(22)9-12)23-19(25)20(15,26)10-17(24)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,26H,10H2,(H,23,25)	C20H13Cl2NO3	386.228	4	2	66.4	4	3	1	-0.1204	5.10689	3	6.18	33.4355	104.858	2.5829	313.775305257651
Cond-010845	NSC635337	635337	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.055381427397	c1cccc(c1)C(C#N)/C(=N/NC(=O)c1ccccc1O)/C(=O)OC	InChI=1S/C18H15N3O4/c1-25-18(24)16(14(11-19)12-7-3-2-4-8-12)20-21-17(23)13-9-5-6-10-15(13)22/h2-10,14,22H,1H3,(H,21,23)/b20-16-	C18H15N3O4	337.329	7	2	111.78	2	7	1	-1.2995	2.02459	2.67	5.106	38.4178	91.338	2.4888	312.521406282746
Cond-010846	NSC635366	635366	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	55.4451046610354	Clc1ccc2c(c1)CC(c1c(S2)cccc1)SCCN1CCN(CC1)C	InChI=1S/C21H25ClN2S2/c1-23-8-10-24(11-9-23)12-13-25-21-15-16-14-17(22)6-7-19(16)26-20-5-3-2-4-18(20)21/h2-7,14,21H,8-13,15H2,1H3	C21H25ClN2S2	405.02	2	0	57.08	4	4	1	2.1358	4.2157	3.22	5.189	69.2318	109.997	3.0241	358.950185137969
Cond-010847	NSC635366	635366	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.8293867888016	Clc1ccc2c(c1)CC(c1c(S2)cccc1)SCCN1CCN(CC1)C	InChI=1S/C21H25ClN2S2/c1-23-8-10-24(11-9-23)12-13-25-21-15-16-14-17(22)6-7-19(16)26-20-5-3-2-4-18(20)21/h2-7,14,21H,8-13,15H2,1H3	C21H25ClN2S2	405.02	2	0	57.08	4	4	1	2.1358	4.2157	3.22	5.189	69.2318	109.997	3.0241	358.950185137969
Cond-010848	NSC635404	635404	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.169591096251	c1cccc2c1/C(=N\NC(=O)c1ccccc1O)/C(=O)N2	InChI=1S/C15H11N3O3/c19-12-8-4-2-6-10(12)14(20)18-17-13-9-5-1-3-7-11(9)16-15(13)21/h1-8,19H,(H,18,20)(H,16,17,21)	C15H11N3O3	281.266	6	3	90.79	3	3	0	-1.8355	1.94457	2.45	4.431	24.0507	81.2612	1.9848	244.759684405384
Cond-010849	NSC635435	635435	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.3393380848121	c1(cc(c2c(c1)C(C(=O)N2)(C(C(=O)c1ccccc1)c1ccccc1)O)C)Cl	InChI=1S/C23H18ClNO3/c1-14-12-17(24)13-18-20(14)25-22(27)23(18,28)19(15-8-4-2-5-9-15)21(26)16-10-6-3-7-11-16/h2-13,19,28H,1H3,(H,25,27)	C23H18ClNO3	391.847	4	2	66.4	4	4	1	-0.4022	4.72201	3.44	7.52	32.3944	110.548	2.8402	347.815732664019
Cond-010850	NSC635436	635436	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.759754948261	c1(ccc(c2c1C(C(=O)N2)(O)CC(=O)c1c(cc(cc1)Cl)Cl)Cl)Cl	InChI=1S/C16H9Cl4NO3/c17-7-1-2-8(11(20)5-7)12(22)6-16(24)13-9(18)3-4-10(19)14(13)21-15(16)23/h1-5,24H,6H2,(H,21,23)	C16H9Cl4NO3	405.06	4	2	66.4	3	3	0	1.3682	5.26049	2.34	3.863	44.6667	97.372	2.4587	303.542878397451
Cond-010851	NSC635437	635437	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.2954702313003	c1(ccc(c2c1C(C(=O)N2)(O)CC(=O)c1ccc(cc1)Cl)Cl)Cl	InChI=1S/C16H10Cl3NO3/c17-9-3-1-8(2-4-9)12(21)7-16(23)13-10(18)5-6-11(19)14(13)20-15(16)22/h1-6,23H,7H2,(H,20,22)	C16H10Cl3NO3	370.615	4	2	66.4	3	3	0	0.6239	4.60709	2.45	3.767	39.0511	92.362	2.3363	288.331810627017
Cond-010852	NSC635438	635438	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.4339412276731	c1c(cc(c2c1C(C(=O)N2)(O)CC(=O)c1cc(ccc1)N(=O)=O)Cl)Cl	InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)	C16H10Cl2N2O5	381.167	7	2	109.54	3	4	0	0.5397	3.45539	2.23	3.558	37.3255	95.6585	2.3881	299.061497765073
Cond-010853	NSC635441	635441	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.11257813093	c1(c(cccc1)C(=O)N/N=C(\C)/C(=O)C)O	InChI=1S/C11H12N2O3/c1-7(8(2)14)12-13-11(16)9-5-3-4-6-10(9)15/h3-6,15H,1-2H3,(H,13,16)/b12-7+	C11H12N2O3	220.225	5	2	78.76	1	4	0	-1.4447	0.95298	2.12	2.614	32.804	63.1995	1.6676	208.10127919775
Cond-010854	NSC635448	635448	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.0500310545203	c1cc[n+]2c(c1)C(=N1=NC(=[S][Cu+]21=[Br])N(C)C)C	InChI=1S/C10H13N4S.BrH.Cu/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;;/h4-7H,1-3H3;1H;/q;;+2	C10H13BrCuN4S++	364.752	4	0	9.26	3	1	0	NA	-2.32394	1.79	NA	NA	54.818	1.8038	NA
Cond-010855	NSC635542	635542	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.5761586491042	c1cccc2c1n(=O)c(c(n2=O)C)C(=O)C/C(=N/NC(=O)CC#N)/C(=O)N	InChI=1S/C16H14N6O5/c1-9-15(22(27)12-5-3-2-4-11(12)21(9)26)13(23)8-10(16(18)25)19-20-14(24)6-7-17/h2-5H,6,8H2,1H3,(H2,18,25)(H,20,24)/b19-10-	C16H14N6O5	370.32	11	3	179.29	2	7	0	-1.879	-0.25721	2.01	-0.902	51.7516	95.0336	2.5651	319.709944356074
Cond-010856	NSC635544	635544	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cccc2c1n(=O)c(c(n2=O)C)C(=O)C/C(=N\O)/C(=O)Nc1c(cc(c(c1)Cl)Cl)Cl	InChI=1S/C19H13Cl3N4O5/c1-9-18(26(31)16-5-3-2-4-15(16)25(9)30)17(27)8-14(24-29)19(28)23-13-7-11(21)10(20)6-12(13)22/h2-7,29H,8H2,1H3,(H,23,28)/b24-14+	C19H13Cl3N4O5	483.689	9	2	132.64	3	6	0	0.8029	5.17079	2.23	3.037	52.6869	120.5077	3.0468	371.98112242784
Cond-010857	NSC635563	635563	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.4095809776001	c1cc(O)c(N(=O)=O)cc1c1[nH]c(S)nn1	InChI=1S/C8H6N4O3S/c13-6-2-1-4(3-5(6)12(14)15)7-9-8(16)11-10-7/h1-3,13H,(H2,9,10,11,16)	C8H6N4O3S	238.223	7	2	143.74	2	2	0	0.2904	1.76678	1.46	2.479	18.4462	62.7298	1.4994	173.459411093284
Cond-010858	NSC635824	635824	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.360417935805	c1(ccccc1OCC(COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1)C	InChI=1S/C24H24N2O5/c1-18-10-8-9-15-22(18)29-16-21(31-24(28)26-20-13-6-3-7-14-20)17-30-23(27)25-19-11-4-2-5-12-19/h2-15,21H,16-17H2,1H3,(H,25,27)(H,26,28)	C24H24N2O5	420.458	7	2	85.89	3	12	2	0.2927	6.31309000000001	3.33	7.14	37.5291	122.9904	3.18450000000001	390.834321829541
Cond-010859	NSC635833	635833	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.582968704584	c1cccc2c1SC(C(=O)N2)C(C(=O)C(=O)OC)C(=O)Nc1cccc(c1C)C	InChI=1S/C21H20N2O5S/c1-11-7-6-9-13(12(11)2)22-19(25)16(17(24)21(27)28-3)18-20(26)23-14-8-4-5-10-15(14)29-18/h4-10,16,18H,1-3H3,(H,22,25)(H,23,26)	C21H20N2O5S	412.459	7	2	126.87	3	7	0	0.0506	3.64122	2.89	3.93	57.9595	111.5764	2.9683	370.991850710341
Cond-010860	NSC635968	635968	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6258249470061	C1(C(=O)OC(=N1)C)C(C)C	InChI=1S/C7H11NO2/c1-4(2)6-7(9)10-5(3)8-6/h4,6H,1-3H3	C7H11NO2	141.168	3	0	38.66	1	1	0	0.3693	1.22009	1.9	0.724	35.5053	41.07	1.1175	140.576188588756
Cond-010861	NSC635975	635975	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.4370811614316	c1cc(ccc1OC1CCO1)C(C)(C)C	InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)15-12-8-9-14-12/h4-7,12H,8-9H2,1-3H3	C13H18O2	206.281	2	0	18.46	2	3	0	1.1038	3.61009	2.67	4.701	33.1663	62.188	1.7115	207.462418734189
Cond-010862	NSC636084	636084	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.788345551214	CC1CC(CCC1)C(=O)/C(=C/c1cc(Cl)ccc1)/C(=O)C(=O)O	InChI=1S/C18H19ClO4/c1-11-4-2-6-13(8-11)16(20)15(17(21)18(22)23)10-12-5-3-7-14(19)9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,22,23)/b15-10-	C18H19ClO4	334.794	4	1	71.44	2	5	1	0.523399999999998	3.82368	2.89	5.355	61.4629	90.3818	2.4838	316.188028231879
Cond-010863	NSC636126	636126	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.440841525767	c1ccccc1C(=O)CC(=O)C(=O)Nc1cc(c(cc1)C)C	InChI=1S/C18H17NO3/c1-12-8-9-15(10-13(12)2)19-18(22)17(21)11-16(20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)	C18H17NO3	295.332	4	1	63.24	2	6	1	0.1564	3.35722	3	5.345	33.6869	86.2342	2.3165	287.010576567451
Cond-010864	NSC636132	636132	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.995649595122	c1(ccccc1C(C(=O)C(=O)Nc1ccccc1C)C#N)C	InChI=1S/C18H16N2O2/c1-12-7-3-5-9-14(12)15(11-19)17(21)18(22)20-16-10-6-4-8-13(16)2/h3-10,15H,1-2H3,(H,20,22)	C18H16N2O2	292.332	4	1	69.96	2	5	0	0.2754	3.27863	3	4.775	33.6119	84.1817	2.3146	286.580651374256
Cond-010865	NSC636786	636786	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.370377614215	c1(ccc2c(c1/C=C/C(=O)c1cc(ccc1)O)cccc2)O	InChI=1S/C19H14O3/c20-15-6-3-5-14(12-15)18(21)11-9-17-16-7-2-1-4-13(16)8-10-19(17)22/h1-12,20,22H/b11-9+	C19H14O3	290.313	3	2	57.53	3	3	1	-0.8233	3.93278	3.22	5.174	20.7187	89.0436	2.206	267.416883583551
Cond-010866	NSC636817	636817	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.099422214485	S1c2c(cccc2)N=C(CC1C)c1ccc(OC)cc1	InChI=1S/C17H17NOS/c1-12-11-16(13-7-9-14(19-2)10-8-13)18-15-5-3-4-6-17(15)20-12/h3-10,12H,11H2,1-2H3	C17H17NOS	283.388	2	0	46.89	3	2	0	0.468899999999999	4.59799	3	4.782	35.5582	86.384	2.1991	263.559621298862
Cond-010867	NSC63701	63701	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.372320671445	n1c(c2c(cn(c2nc1)C1OC(C(C1O)O)CO)C#N)N	InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)	C12H13N5O4	291.263	9	5	150.44	3	2	0	-2.2444	-0.91312	1.79	-1.915	40.715	72.7528	1.9494	231.564853747078
Cond-010868	NSC637578	637578	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	88.0053424184608	c1cc2cc(nc(c2cc1)NC(=N)c1ccccn1)c1ccccn1	InChI=1S/C20H15N5/c21-19(17-10-4-6-12-23-17)25-20-15-8-2-1-7-14(15)13-18(24-20)16-9-3-5-11-22-16/h1-13H,(H2,21,24,25)	C20H15N5	325.367	5	2	74.55	4	4	1	-0.4766	5.18037	3.11	5.922	8.6986	103.3164	2.4752	284.796613046168
Cond-010869	NSC637680	637680	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.931493007323	c1ccc2c(c1)SC(C(=O)N2)CC(=O)Nc1c(cccc1)OCC	InChI=1S/C18H18N2O3S/c1-2-23-14-9-5-3-7-12(14)19-17(21)11-16-18(22)20-13-8-4-6-10-15(13)24-16/h3-10,16H,2,11H2,1H3,(H,19,21)(H,20,22)	C18H18N2O3S	342.412	5	2	92.73	3	6	0	-0.6027	4.96097	2.78	3.117	42.1581	99.3034	2.5142	306.796360833218
Cond-010870	NSC637729	637729	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.650168979144	c1cccc2c1C(=O)C(=O)C=C2Nc1cccnc1	InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H	C15H10N2O2	250.252	4	1	59.06	3	2	0	-1.0337	2.95127	2.67	2.827	23.5632	74.0402	1.8263	224.972697496656
Cond-010871	NSC637729	637729	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	16.6764415176473	c1cccc2c1C(=O)C(=O)C=C2Nc1cccnc1	InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H	C15H10N2O2	250.252	4	1	59.06	3	2	0	-1.0337	2.95127	2.67	2.827	23.5632	74.0402	1.8263	224.972697496656
Cond-010872	NSC637731	637731	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	67.173488829551	c1cccc2c1C(=O)C(=O)C=C2NCCc1ccccc1	InChI=1S/C18H15NO2/c20-17-12-16(14-8-4-5-9-15(14)18(17)21)19-11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2	C18H15NO2	277.317	3	1	46.17	3	4	1	-0.7665	2.67638	3.11	5.579	32.7272	84.0862	2.1492	265.86389116609
Cond-010873	NSC637833	637833	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.3998041844675	C(=O)(SC(SC(=O)C)SC(=O)C)C	InChI=1S/C7H10O3S3/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3	C7H10O3S3	238.348	3	0	127.11	0	6	0	2.1494	2.34299	1.57	0.646	57.8661	61.847	1.6325	203.61672725395
Cond-010874	NSC637914	637914	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.97905354508	c1(ccc(cc1)N(CCC#N)S(=O)(=O)c1ccccc1)C=O	InChI=1S/C16H14N2O3S/c17-11-4-12-18(15-9-7-14(13-19)8-10-15)22(20,21)16-5-2-1-3-6-16/h1-3,5-10,13H,4,12H2	C16H14N2O3S	314.359	5	0	86.62	2	6	0	-1.0478	3.71527	2.56	3.354	32.8955	80.6715	2.298	281.924391581484
Cond-010875	NSC637916	637916	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	80.1039510538626	c1cc(ccc1N(CCC#N)CCC#N)/C=C/1\N=C(OC1=O)c1c(ccc(c1)N(=O)=O)Cl	InChI=1S/C22H16ClN5O4/c23-19-8-7-17(28(30)31)14-18(19)21-26-20(22(29)32-21)13-15-3-5-16(6-4-15)27(11-1-9-24)12-2-10-25/h3-8,13-14H,1-2,11-12H2/b20-13-	C22H16ClN5O4	449.847	9	0	132.62	3	8	0	1.5444	4.39374	2.78	3.787	65.4602	121.396	3.1368	398.64409816978
Cond-010876	NSC637993	637993	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.266580372503	c1(ccc2c(c1)c(=O)c1c3n2c(nc3ccc1NCCN(CC)CC)C)OC.Cl	InChI=1S/C22H26N4O2.ClH/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18;/h7-10,13,23H,5-6,11-12H2,1-4H3;1H	C22H27ClN4O2	414.928	6	1	58.87	4	7	0	0.0702999999999991	4.76328000000001	3.22	3.23	57.0619	116.7607	2.9466	347.418110294058
Cond-010877	NSC638352	638352	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	108.791764163314	c1c(cc(c(c1)/C=C/c1ccc(cc1S(=O)(=O)O)/N=N/c1c(c2c(c(c1)S(=O)(=O)O)cccn2)O)S(=O)(=O)O)/N=N/c1c(c2c(c(c1)S(=O)(=O)O)cccn2)O.[Na+]	InChI=1S/C32H22N6O14S4.Na/c39-31-23(15-27(55(47,48)49)21-3-1-11-33-29(21)31)37-35-19-9-7-17(25(13-19)53(41,42)43)5-6-18-8-10-20(14-26(18)54(44,45)46)36-38-24-16-28(56(50,51)52)22-4-2-12-34-30(22)32(24)40;/h1-16,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);/q;+1/b6-5+,37-35+,38-36+;	C32H22N6NaO14S4+	865.799	20	6	366.68	6	10	2	-2.6188	8.30843999999998	2.34	2.448	59.1254	183.1468	5.22340000000001	635.476330495789
Cond-010878	NSC638634	638634	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	62.1374486023109	c1cccc(c1)/C=C\1/C(=O)/C(=C/c2ccccc2)/CN(C1)C(=O)/C=C/c1ccccc1	InChI=1S/C28H23NO2/c30-27(17-16-22-10-4-1-5-11-22)29-20-25(18-23-12-6-2-7-13-23)28(31)26(21-29)19-24-14-8-3-9-15-24/h1-19H,20-21H2/b17-16+,25-18+,26-19+	C28H23NO2	405.488	3	0	37.38	4	5	1	0.0301000000000005	4.96406000000001	4.21	11.232	50.6524	125.958	3.23460000000001	402.384985219958
Cond-010879	NSC638646	638646	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	c1(c(ccc(c1)/C=C\1/C(=O)/C(=C/c2ccc(c(c2)Cl)Cl)/CN(C1)C(=O)CCN1CCOCC1)Cl)Cl.Cl	InChI=1S/C26H24Cl4N2O3.ClH/c27-21-3-1-17(13-23(21)29)11-19-15-32(25(33)5-6-31-7-9-35-10-8-31)16-20(26(19)34)12-18-2-4-22(28)24(30)14-18;/h1-4,11-14H,5-10,15-16H2;1H/b19-11+,20-12+;	C26H25Cl5N2O3	590.753	5	0	49.85	4	6	0	2.5981	5.76927	3.33	4.383	95.4986	143.46	3.7729	469.870108761886
Cond-010880	NSC63878	63878	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.492754968095	O1[C@@H](n2ccc(nc2=O)N)[C@@H]([C@@H]([C@H]1CO)O)O.Cl	InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H	C9H14ClN3O5	279.678	8	5	128.61	2	2	0	-2.9415	-2.84623	1.57	-2.193	52.8227	59.1568	1.6234	208.539440956906
Cond-010881	NSC639754	639754	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	97.8947398996946	n1(cccc1)Cc1ccc2c(c1)[nH]c(n2)NC(=O)OCC	InChI=1S/C15H16N4O2/c1-2-21-15(20)18-14-16-12-6-5-11(9-13(12)17-14)10-19-7-3-4-8-19/h3-9H,2,10H2,1H3,(H2,16,17,18,20)	C15H16N4O2	284.313	6	2	71.94	3	6	0	-0.1269	2.91487	2.45	2.997	29.6935	83.8217	2.1119	241.33913531459
Cond-010882	NSC639828	639828	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	54.7587750080971	c1c(c(ccc1)C(=O)NC(=O)Nc1ccc(c(c1)Cl)Oc1ncc(cn1)Br)N	InChI=1S/C18H13BrClN5O3/c19-10-8-22-18(23-9-10)28-15-6-5-11(7-13(15)20)24-17(27)25-16(26)12-3-1-2-4-14(12)21/h1-9H,21H2,(H2,24,25,26,27)	C18H13BrClN5O3	462.685	8	4	119.23	3	7	0	-0.0220999999999998	4.92777	2.34	4.87	34.94	113.7553	2.8185	336.962928045718
Cond-010883	NSC639828	639828	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.2049216831039	c1c(c(ccc1)C(=O)NC(=O)Nc1ccc(c(c1)Cl)Oc1ncc(cn1)Br)N	InChI=1S/C18H13BrClN5O3/c19-10-8-22-18(23-9-10)28-15-6-5-11(7-13(15)20)24-17(27)25-16(26)12-3-1-2-4-14(12)21/h1-9H,21H2,(H2,24,25,26,27)	C18H13BrClN5O3	462.685	8	4	119.23	3	7	0	-0.0220999999999998	4.92777	2.34	4.87	34.94	113.7553	2.8185	336.962928045718
Cond-010884	NSC63984	63984	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	54.7018567516855	n1cnc2c(c1N)ncn2C1OC(CC1O)CO	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)	C10H13N5O3	251.242	8	4	119.31	3	2	0	-2.0564	-0.42681	1.68	-1.637	31.4655	62.925	1.6949	193.455575196384
Cond-010885	NSC640335	640335	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.637101245046	c1(cc(ccc1Cl)Nc1nc(c(s1)/C(=N/Nc1ccc(cc1N(=O)=O)N(=O)=O)/C=C/c1cc2c(cc1)OCO2)C)Cl	InChI=1S/C26H18Cl2N6O6S/c1-14-25(41-26(29-14)30-16-4-6-18(27)19(28)11-16)21(7-2-15-3-9-23-24(10-15)40-13-39-23)32-31-20-8-5-17(33(35)36)12-22(20)34(37)38/h2-12,31H,13H2,1H3,(H,29,30)/b7-2+,32-21+	C26H18Cl2N6O6S	613.429	12	2	182.29	5	9	1	2.9509	8.85187000000001	2.67	8.881	63.4559	165.2284	3.94330000000001	480.975966008169
Cond-010886	NSC640342	640342	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.728611839015	Cc1cc(c(cc1)Nc1sc(c(n1)C)/C(=N\NC(=O)C[n+]1ccccc1)/C=C/c1ccc(cc1)/C=C/C(=N/NC(=O)C[n+]1ccccc1)/c1sc(nc1C)Nc1c(cc(cc1)C)N(=O)=O)N(=O)=O.[Cl-]	InChI=1S/C48H42N12O6S2.ClH/c1-31-11-19-37(41(27-31)59(63)64)51-47-49-33(3)45(67-47)39(53-55-43(61)29-57-23-7-5-8-24-57)21-17-35-13-15-36(16-14-35)18-22-40(54-56-44(62)30-58-25-9-6-10-26-58)46-34(4)50-48(68-46)52-38-20-12-32(2)28-42(38)60(65)66;/h5-28H,29-30H2,1-4H3,(H2-2,49,50,51,52,53,54,55,56,61,62);1H/p+1	C48H44ClN12O6S2+	984.523	18	4	283.28	7	20	2	-0.226399999999999	8.66221999999999	4.54	14.96	110.1364	267.470799999999	6.87040000000002	829.141114432566
Cond-010887	NSC640391	640391	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	60.2241738860002	C1(=O)[C@@H](CC[C@@H]1CN(C)C)CN(C)C.Cl	InChI=1S/C11H22N2O.ClH/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;/h9-10H,5-8H2,1-4H3;1H/t9-,10+;	C11H23ClN2O	234.766	3	0	23.55	1	4	0	0.4168	0.93879	2.34	-0.203	59.5	61.572	1.7652	214.603119300628
Cond-010888	NSC640580	640580	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.414756665898	C(=O)(/C=C/c1c(cc(cc1)Cl)Cl)c1sc(nc1C)c1cccnc1	InChI=1S/C18H12Cl2N2OS/c1-11-17(24-18(22-11)13-3-2-8-21-10-13)16(23)7-5-12-4-6-14(19)9-15(12)20/h2-10H,1H3/b7-5+	C18H12Cl2N2OS	375.272	3	0	71.09	3	4	0	2.616	5.73	2.78	4.582	40.3467	102.962	2.5556	303.465125571362
Cond-010889	NSC640584	640584	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	C(=O)(/C=C/c1cc(c(cc1)Cl)Cl)c1sc(nc1C)n1nc(cc1c1ccccc1)c1ccccc1	InChI=1S/C28H19Cl2N3OS/c1-18-27(26(34)15-13-19-12-14-22(29)23(30)16-19)35-28(31-18)33-25(21-10-6-3-7-11-21)17-24(32-33)20-8-4-2-5-9-20/h2-17H,1H3/b15-13+	C28H19Cl2N3OS	516.441	4	0	75.5	5	6	1	2.6292	9.07068	3.77	9.826	43.2447	151.133	3.63220000000001	427.726521132597
Cond-010890	NSC640624	640624	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.3352825227289	C1(C=C(n2c(=N1)sc(n2)c1ccc(N)cc1)C)(C)C	InChI=1S/C14H16N4S/c1-9-8-14(2,3)16-13-18(9)17-12(19-13)10-4-6-11(15)7-5-10/h4-8H,15H2,1-3H3	C14H16N4S	272.369	4	2	79.28	3	1	0	0.971799999999997	3.35738	2.45	3.024	56.0607	83.2264	2.0601	249.408180046001
Cond-010891	NSC640637	640637	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	n1c(c(nc(n1)N(/N=C/C=C/c1ccccc1)C(=S)Nc1ccccc1)c1ccccc1)c1ccccc1	InChI=1S/C31H24N6S/c38-31(33-27-21-11-4-12-22-27)37(32-23-13-16-24-14-5-1-6-15-24)30-34-28(25-17-7-2-8-18-25)29(35-36-30)26-19-9-3-10-20-26/h1-23H,(H,33,38)/b16-13+,32-23+	C31H24N6S	512.627	6	1	98.39	5	9	1	0.5983	8.95985	4.1	13.011	35.728	163.2637	3.92180000000001	465.483017290869
Cond-010892	NSC640638	640638	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	n1c(c(nc(n1)N/N=C/C(Br)C(Br)c1ccccc1)c1ccccc1)c1ccccc1	InChI=1S/C24H19Br2N5/c25-20(21(26)17-10-4-1-5-11-17)16-27-30-24-28-22(18-12-6-2-7-13-18)23(29-31-24)19-14-8-3-9-15-19/h1-16,20-21H,(H,28,30,31)/b27-16+	C24H19Br2N5	537.249	5	1	63.06	4	7	1	1.1155	6.96677	3.33	11.719	34.7699	137.5257	3.3458	389.911330803969
Cond-010893	NSC640974	640974	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.049047017347	c1ccc2c(c1)C(=O)OC2C(C(=O)c1c(cccc1)F)C(=O)C(=O)Nc1ccccc1C#N	InChI=1S/C25H15FN2O5/c26-18-11-5-4-10-17(18)21(29)20(23-15-8-2-3-9-16(15)25(32)33-23)22(30)24(31)28-19-12-6-1-7-14(19)13-27/h1-12,20,23H,(H,28,31)	C25H15FN2O5	442.395	7	1	113.33	4	7	1	-0.9342	3.34089	3.33	5.457	38.5158	114.3527	3.06250000000001	391.295571801714
Cond-010894	NSC640985	640985	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.3044850710059	c1cccc2c1C(OC2=O)C(C(=O)c1cc2c(cc1)cccc2)C(=O)C(=O)Nc1cc(ccc1C)C	InChI=1S/C30H23NO5/c1-17-11-12-18(2)24(15-17)31-29(34)27(33)25(28-22-9-5-6-10-23(22)30(35)36-28)26(32)21-14-13-19-7-3-4-8-20(19)16-21/h3-16,25,28H,1-2H3,(H,31,34)	C30H23NO5	477.507	6	1	89.54	5	7	1	-0.1646	5.15104000000001	4.1	8.883	42.4489	136.7442	3.54090000000001	437.454717171775
Cond-010895	NSC641228	641228	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.086622002938	c1cc(c(cc1)C)NC(=O)C(=O)C(C(=O)c1ccccc1F)C1c2c(C(=O)O1)cccc2	InChI=1S/C25H18FNO5/c1-14-8-2-7-13-19(14)27-24(30)22(29)20(21(28)17-11-5-6-12-18(17)26)23-15-9-3-4-10-16(15)25(31)32-23/h2-13,20,23H,1H3,(H,27,30)	C25H18FNO5	431.413	6	1	89.54	4	7	1	-0.3269	4.10892	3.44	6.221	37.8193	115.5562	3.04870000000001	385.571728995147
Cond-010896	NSC641233	641233	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)C(=O)C(=C(C2=O)Cl)NC(=O)C(=O)C(C(=O)c1ccc2c(c1)cccc2)C1c2c(cccc2)C(=O)O1	InChI=1S/C32H18ClNO7/c33-24-25(28(37)20-10-4-3-9-19(20)27(24)36)34-31(39)29(38)23(30-21-11-5-6-12-22(21)32(40)41-30)26(35)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,23,30H,(H,34,39)	C32H18ClNO7	563.941	8	1	123.68	6	7	1	-1.5865	4.37349	3.99	8.74	56.4992	149.7382	3.82490000000001	484.572372791863
Cond-010897	NSC641240	641240	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cccc2c1C(=O)C(=O)C=C2Nc1c(cccc1)C(=O)CC(=O)C(=O)Nc1ccccc1C(=O)OC	InChI=1S/C28H20N2O7/c1-37-28(36)19-11-5-7-13-21(19)30-27(35)25(33)15-23(31)18-10-4-6-12-20(18)29-22-14-24(32)26(34)17-9-3-2-8-16(17)22/h2-14,29H,15H2,1H3,(H,30,35)	C28H20N2O7	496.468	9	2	135.71	4	10	1	-2.1501	3.25788	3.55	6.12	58.2343	136.1464	3.54190000000001	452.05996152933
Cond-010898	NSC641245	641245	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	34.1143029495253	C1(=O)C(=C(C(=O)c2c1cccc2)Cl)NC(=O)C(=O)CC(=O)c1ccccc1NC1=Cc2c(C(=O)C1=O)cccc2	InChI=1S/C30H17ClN2O7/c31-24-25(27(37)18-10-4-3-9-17(18)26(24)36)33-30(40)23(35)14-22(34)19-11-5-6-12-20(19)32-21-13-15-7-1-2-8-16(15)28(38)29(21)39/h1-13,32H,14H2,(H,33,40)	C30H17ClN2O7	552.918	9	2	143.55	5	8	1	-2.1925	3.67007	3.66	7.398	71.3755	145.8114	3.75150000000001	484.233622449097
Cond-010899	NSC641250	641250	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	85.6582703507713	c1cc(c(C(=O)CC(=O)C(=O)Nc2cc(c(cc2)Cl)Cl)cc1)NC1=CC(=O)C(=O)c2c1cccc2	InChI=1S/C26H16Cl2N2O5/c27-18-10-9-14(11-19(18)28)29-26(35)24(33)13-22(31)17-7-3-4-8-20(17)30-21-12-23(32)25(34)16-6-2-1-5-15(16)21/h1-12,30H,13H2,(H,29,35)	C26H16Cl2N2O5	507.322	7	2	109.41	4	8	1	-0.6727	6.24376	3.33	6.114	57.4771	135.5344	3.4305	432.946133118141
Cond-010900	NSC641253	641253	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.8522725425245	c1cc(c(C(=O)CC(=O)C(=O)Nc2ccc(cc2)Cl)cc1)NC1=CC(=O)C(=O)c2c1cccc2	InChI=1S/C26H17ClN2O5/c27-15-9-11-16(12-10-15)28-26(34)24(32)14-22(30)19-7-3-4-8-20(19)29-21-13-23(31)25(33)18-6-2-1-5-17(18)21/h1-13,29H,14H2,(H,28,34)	C26H17ClN2O5	472.877	7	2	109.41	4	8	1	-1.417	5.59036	3.44	6.018	51.8615	130.5244	3.30810000000001	417.735065347707
Cond-010901	NSC641607	641607	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9544563418254	c1cccc2c1C(C(=O)O2)C(c1ccc(cc1)OC)/C(=N\O)/c1ccc(cc1)OC	InChI=1S/C24H21NO5/c1-28-17-11-7-15(8-12-17)21(22-19-5-3-4-6-20(19)30-24(22)26)23(25-27)16-9-13-18(29-2)14-10-16/h3-14,21-22,27H,1-2H3/b25-23-	C24H21NO5	403.427	6	1	77.35	4	6	1	-0.706000000000001	5.10338	3.44	5.381	37.0474	117.1745	2.9761	367.481102920574
Cond-010902	NSC642033	642033	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c12ccccc1nc(cn2)C(/C(=N/NC(=O)N)/C(=O)Nc1c(cccc1CC)C(C)C)C(=O)OC	InChI=1S/C25H28N6O4/c1-5-15-9-8-10-16(14(2)3)21(15)29-23(32)22(30-31-25(26)34)20(24(33)35-4)19-13-27-17-11-6-7-12-18(17)28-19/h6-14,20H,5H2,1-4H3,(H,29,32)(H3,26,31,34)/b30-22-	C25H28N6O4	476.528	10	4	148.66	3	11	1	-0.621800000000001	3.73616000000001	3.11	4.441	64.2155	137.9408	3.6229	440.690661886714
Cond-010903	NSC642040	642040	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1(ccccc1)C(=O)c1cc2c(cc1)nc(c(n2)O)C(C(=O)C(=O)OC)C(=O)C(=O)Nc1c(ccc(c1)C)C	InChI=1S/C29H23N3O7/c1-15-9-10-16(2)20(13-15)31-28(37)25(34)22(26(35)29(38)39-3)23-27(36)32-21-14-18(11-12-19(21)30-23)24(33)17-7-5-4-6-8-17/h4-14,22H,1-3H3,(H,31,37)(H,32,36)	C29H23N3O7	525.509	10	2	152.62	4	10	1	-0.736	4.35501000000001	3.55	5.344	52.6583	144.034	3.78260000000001	469.452706363363
Cond-010904	NSC642048	642048	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.222357406213	n1c(sc(c1C)C(=O)CC(=O)C(=O)Nc1c(cccc1C(C)C)C(C)C)C(=S)N	InChI=1S/C21H25N3O3S2/c1-10(2)13-7-6-8-14(11(3)4)17(13)24-20(27)16(26)9-15(25)18-12(5)23-21(29-18)19(22)28/h6-8,10-11H,9H2,1-5H3,(H2,22,28)(H,24,27)	C21H25N3O3S2	431.571	6	3	162.48	2	9	0	1.3126	5.1266	2.89	4.333	80.1767	123.6386	3.2658	397.910098976586
Cond-010905	NSC642649	642649	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4135226836284	Clc1cc2c(cc1)nc(c(n2)O)C(=O)C(O)c1cc2c(cc1)OCO2	InChI=1S/C17H11ClN2O5/c18-9-2-3-10-11(6-9)20-17(23)14(19-10)16(22)15(21)8-1-4-12-13(5-8)25-7-24-12/h1-6,15,21H,7H2,(H,20,23)	C17H11ClN2O5	358.733	7	2	101.77	4	3	0	-0.8999	3.16707	2.45	2.138	26.8857	93.4136	2.298	277.889955919707
Cond-010906	NSC643028	643028	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.9462369601002	c1(ccc(cc1)C=C(C#N)C#N)Oc1ccccc1	InChI=1S/C16H10N2O/c17-11-14(12-18)10-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-10H	C16H10N2O	246.263	3	0	56.81	2	3	0	0.1875	4.29375	2.89	4.697	23.1148	74.678	1.9311	240.561996721162
Cond-010907	NSC643031	643031	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.207233521792	c1c(cc(cc1)C=C(C#N)C#N)Oc1ccccc1	InChI=1S/C16H10N2O/c17-11-14(12-18)9-13-5-4-8-16(10-13)19-15-6-2-1-3-7-15/h1-10H	C16H10N2O	246.263	3	0	56.81	2	3	0	0.1875	4.29375	2.89	4.697	23.1148	74.678	1.9311	240.561996721162
Cond-010908	NSC643148	643148	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	72.8593396005105	c1(ccc(cc1)C(C1C(=O)c2c(C1=O)cccc2)C1C(=O)c2c(C1=O)cccc2)N(=O)=O	InChI=1S/C25H15NO6/c27-22-15-5-1-2-6-16(15)23(28)20(22)19(13-9-11-14(12-10-13)26(31)32)21-24(29)17-7-3-4-8-18(17)25(21)30/h1-12,19-21H	C25H15NO6	425.39	7	0	111.42	5	4	0	-0.8154	3.89659	3.44	4.983	36.2969	117.9185	2.9381	373.301479443802
Cond-010909	NSC643148	643148	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	40.8807746045356	c1(ccc(cc1)C(C1C(=O)c2c(C1=O)cccc2)C1C(=O)c2c(C1=O)cccc2)N(=O)=O	InChI=1S/C25H15NO6/c27-22-15-5-1-2-6-16(15)23(28)20(22)19(13-9-11-14(12-10-13)26(31)32)21-24(29)17-7-3-4-8-18(17)25(21)30/h1-12,19-21H	C25H15NO6	425.39	7	0	111.42	5	4	0	-0.8154	3.89659	3.44	4.983	36.2969	117.9185	2.9381	373.301479443802
Cond-010910	NSC643162	643162	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	61.9018167018828	c1c(c(ccc1/C=C/1\CCc2c(C1=O)cccc2)N(C)C)Br	InChI=1S/C19H18BrNO/c1-21(2)18-10-7-13(12-17(18)20)11-15-9-8-14-5-3-4-6-16(14)19(15)22/h3-7,10-12H,8-9H2,1-2H3/b15-11+	C19H18BrNO	356.256	2	0	20.31	3	2	1	1.2398	4.51328	3.22	5.738	47.0658	97.4990000000001	2.4494	296.289726769762
Cond-010911	NSC643163	643163	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	69.0751522979545	c1c(c(ccc1/C=C\1/C(=O)c2ccccc2C1)N(C)C)Br	InChI=1S/C18H16BrNO/c1-20(2)17-8-7-12(10-16(17)19)9-14-11-13-5-3-4-6-15(13)18(14)21/h3-10H,11H2,1-2H3/b14-9+	C18H16BrNO	342.23	2	0	20.31	3	2	1	1.5712	4.12318	3.11	5.169	41.936	92.882	2.3085	278.993742143895
Cond-010912	NSC643164	643164	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	29.8172453671791	c1c(c(ccc1/C=C/C(=O)c1ccccc1)N(C)C)Br	InChI=1S/C17H16BrNO/c1-19(2)16-10-8-13(12-15(16)18)9-11-17(20)14-6-4-3-5-7-14/h3-12H,1-2H3/b11-9+	C17H16BrNO	330.219	2	0	20.31	2	4	1	1.2039	4.19688	3	5.679	38.48	90.235	2.2762	274.054216218829
Cond-010913	NSC643174	643174	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	100.808965561179	c1(c(ccc(c1)/C=C\1/C(=O)c2c(C1)cccc2)OC)OC	InChI=1S/C18H16O3/c1-20-16-8-7-12(10-17(16)21-2)9-14-11-13-5-3-4-6-15(13)18(14)19/h3-10H,11H2,1-2H3/b14-9+	C18H16O3	280.318	3	0	35.53	3	3	0	0.361	3.31188	3.11	4.248	33.6771	83.959	2.1511	266.293816359284
Cond-010914	NSC643175	643175	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.8031208977025	c1(c(ccc(c1)/C=C\1/C(=O)c2c(cccc2)CC1)OC)OC	InChI=1S/C19H18O3/c1-21-17-10-7-13(12-18(17)22-2)11-15-9-8-14-5-3-4-6-16(14)19(15)20/h3-7,10-12H,8-9H2,1-2H3/b15-11+	C19H18O3	294.344	3	0	35.53	3	3	0	0.0296	3.70198	3.22	4.817	38.8069	88.5760000000001	2.292	283.589800985151
Cond-010915	NSC643186	643186	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.514622793413	c1cccc2c1cc(cc2)/C=C(/C(=O)c1ccccc1)\C#N	InChI=1S/C20H13NO/c21-14-19(20(22)17-7-2-1-3-8-17)13-15-10-11-16-6-4-5-9-18(16)12-15/h1-13H/b19-13+	C20H13NO	283.323	2	0	40.86	3	3	1	0.0431	4.51318	3.44	8.429	20.6431	88.7665	2.2433	272.856257614862
Cond-010916	NSC643351	643351	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.355880200562	N(C)(C)c1ccc(cc1)/C=C/C1=[O][Cu]2(=[O]1)=[O]C(=[O]2)/C=C/c1ccc(N(C)C)cc1	InChI=1S/2C11H13NO2.Cu/c2*1-12(2)10-6-3-9(4-7-10)5-8-11(13)14;/h2*3-8H,1-2H3,(H,13,14);/q;;+2/p-2/b2*8-5+;	C22H24CuN2O4	443.983	6	0	6.48	4	6	0	NA	-0.803599999999999	3.11	NA	NA	85.698	3.328	NA
Cond-010917	NSC643599	643599	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.338166707233	c1(ccc(cc1C)N(CCC#N)S(=O)(=O)c1ccccc1)/C=N\c1ccc(cc1)OC	InChI=1S/C24H23N3O3S/c1-19-17-22(12-9-20(19)18-26-21-10-13-23(30-2)14-11-21)27(16-6-15-25)31(28,29)24-7-4-3-5-8-24/h3-5,7-14,17-18H,6,16H2,1-2H3/b26-18-	C24H23N3O3S	433.523	6	0	91.14	3	8	1	-0.2994	5.58768	3.33	5.942	46.9705	119.987	3.28740000000001	400.123193993385
Cond-010918	NSC643774	643774	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4795393207665	c1cc(ccc1N(C)C)/C=C(\N(CC)CC)/C(=O)OCC	InChI=1S/C17H26N2O2/c1-6-19(7-2)16(17(20)21-8-3)13-14-9-11-15(12-10-14)18(4)5/h9-13H,6-8H2,1-5H3/b16-13-	C17H26N2O2	290.401	4	0	32.78	1	8	0	1.219	3.04958	2.89	4.361	63.0989	90.4810000000001	2.4973	305.72341895319
Cond-010919	NSC643834	643834	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.832113277973	CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/C=C/C=C/CCCC)COC(=O)CCCCCCC/C=C/C1C=CC(CCCC)C(C1C(=O)O)C(=O)O.N(CO)CCO	InChI=1S/C61H96O10.C3H9NO2/c1-4-7-10-12-14-16-18-20-22-24-26-28-32-36-40-45-55(62)69-50-54(71-57(64)47-42-38-33-29-27-25-23-21-19-17-15-13-11-8-5-2)51-70-56(63)46-41-37-34-30-31-35-39-44-53-49-48-52(43-9-6-3)58(60(65)66)59(53)61(67)68;5-2-1-4-3-6/h12-23,39,44,48-49,52-54,58-59H,4-11,24-38,40-43,45-47,50-51H2,1-3H3,(H,65,66)(H,67,68);4-6H,1-3H2/b14-12+,15-13+,18-16+,19-17+,22-20+,23-21+,44-39+;	C64H105NO12	1080.52	10	2	153.5	1	48	2	-1.9236	15.48791	7.07	20.902	261.5018	290.7646	8.62290000000004	1104.88336607308
Cond-010920	NSC643910	643910	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.24171949527	c1cc(ccc1)C1NC(=S)NC(=C1C(=O)OCC)C	InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)	C14H16N2O2S	276.354	4	2	82.45	2	4	0	0.747499999999999	1.86148	2.45	4.821	51.7723	79.5804	2.0865	257.351571731589
Cond-010921	NSC644735	644735	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.6595232404473	N(=O)(=O)c1cc2c(cc1)ncc(n2)C(N(=O)=O)C(=O)C(=O)Nc1ccccc1C	InChI=1S/C18H13N5O6/c1-10-4-2-3-5-12(10)21-18(25)17(24)16(23(28)29)15-9-19-13-7-6-11(22(26)27)8-14(13)20-15/h2-9,16H,1H3,(H,21,25)	C18H13N5O6	395.326	11	1	158.23	3	7	0	0.9065	2.7624	2.23	3.085	29.3924	107.4087	2.6542	326.202462698601
Cond-010922	NSC644794	644794	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	C1(c2c(C(=O)O1)cccc2)C(C(=O)c1cc(c(cc1)Cl)Cl)C(=O)C(=O)Nc1cc(ccc1)C(F)(F)F	InChI=1S/C25H14Cl2F3NO5/c26-17-9-8-12(10-18(17)27)20(32)19(22-15-6-1-2-7-16(15)24(35)36-22)21(33)23(34)31-14-5-3-4-13(11-14)25(28,29)30/h1-11,19,22H,(H,31,34)	C25H14Cl2F3NO5	536.284	6	1	89.54	4	8	1	1.1381	5.87159	3	7.034	49.1105	125.9362	3.3289	428.128982236626
Cond-010923	NSC645033	645033	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.467593565992	c1(n(nnc1C1=NCCCN1)c1ccc(Cl)cc1)c1ccc(cc1)Cl	InChI=1S/C18H15Cl2N5/c19-13-4-2-12(3-5-13)17-16(18-21-10-1-11-22-18)23-24-25(17)15-8-6-14(20)7-9-15/h2-9H,1,10-11H2,(H,21,22)	C18H15Cl2N5	372.251	5	1	54.58	4	3	0	0.5362	4.86398	2.67	4.637	34.977	104.2467	2.5672	299.436155437701
Cond-010924	NSC645567	645567	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.6962157797689	[Sn](Cl)(Cl)(c1ccccc1)Cl.C(N(C)C)(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C	InChI=1S/C15H35NO6P2.C6H5.3ClH.Sn/c1-11(2)19-23(17,20-12(3)4)15(16(9)10)24(18,21-13(5)6)22-14(7)8;1-2-4-6-5-3-1;;;;/h11-15H,1-10H3;1-5H;3*1H;/q;;;;;+3/p-3	C21H40Cl3NO6P2Sn	689.553	7	0	93.92	0	11	1	0.935000000000003	3.625	2.12	1.938	97.3702	89.118	3.0833	371.388855316335
Cond-010925	NSC645617	645617	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.362619536504	CN(C)C(=S)/N=c\1/n(c(=S)ss1)Cc1ncccc1	InChI=1S/C11H12N4S4/c1-14(2)9(16)13-10-15(11(17)19-18-10)7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3/b13-10-	C11H12N4S4	328.5	4	0	146.51	2	4	0	2.8697	2.8864	1.79	2.374	68.5593	91.831	2.2365	265.403757042
Cond-010926	NSC645987	645987	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.6344064344583	Oc1cc(n2cccn2)c(O)cc1n1cccn1	InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H	C12H10N4O2	242.233	6	2	75.06	3	2	0	-0.8942	1.88819	2.12	0.336	10.9252	67.3188	1.6892	189.451181436989
Cond-010927	NSC646189	646189	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	32.0161581265769	C1(=C(CCC1)C#N)OC(OCC)C(C)[Se]c1ccccc1	InChI=1S/C17H21NO2Se/c1-3-19-17(20-16-11-7-8-14(16)12-18)13(2)21-15-9-5-4-6-10-15/h4-6,9-10,13,17H,3,7-8,11H2,1-2H3	C17H21NO2Se	350.314	3	0	42.25	2	7	0	0.0677000000000017	3.61977	2.89	4.077	52.5564	82.98	2.4584	302.544652867956
Cond-010928	NSC646200	646200	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.772255772798	C(C(CC)[Se]c1c(cccc1)N(=O)=O)(OCC)OCC	InChI=1S/C14H21NO4Se/c1-4-12(14(18-5-2)19-6-3)20-13-10-8-7-9-11(13)15(16)17/h7-10,12,14H,4-6H2,1-3H3	C14H21NO4Se	346.281	5	0	61.6	1	9	0	0.902400000000001	3.40488	2.34	4.025	42.4949	80.037	2.3477	285.866528493878
Cond-010929	NSC647363	647363	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.226693853093	c12c(ccc(c1)/C(=C/c1cc(c(c(c1)OC)OC)OC)/OC(=O)C)OCO2	InChI=1S/C20H20O7/c1-12(21)27-16(14-5-6-15-17(10-14)26-11-25-15)7-13-8-18(22-2)20(24-4)19(9-13)23-3/h5-10H,11H2,1-4H3/b16-7-	C20H20O7	372.369	7	0	72.45	3	7	0	-0.518299999999998	3.94537	2.89	3.176	50.7819	101.75	2.6677	336.046692413263
Cond-010930	NSC647418	647418	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.754430769454	c1cccc2c1C(=C(CO2)C(c1ccccc1)C(CN1CCCCC1)/C(=N/NC)/C)O.Cl	InChI=1S/C26H33N3O2.ClH/c1-19(28-27-2)22(17-29-15-9-4-10-16-29)25(20-11-5-3-6-12-20)23-18-31-24-14-8-7-13-21(24)26(23)30;/h3,5-8,11-14,22,25,27,30H,4,9-10,15-18H2,1-2H3;1H/b28-19+;	C26H34ClN3O2	456.02	5	2	57.09	4	7	1	-1.8094	4.64659000000001	3.77	6.935	71.1748	125.5565	3.4104	416.505288589358
Cond-010931	NSC647613	647613	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8239844570069	c1ccc2c(c1)OC(=O)C2C/C(=N\Nc1ccccc1)/c1c(cccc1)O	InChI=1S/C22H18N2O3/c25-20-12-6-4-11-17(20)19(24-23-15-8-2-1-3-9-15)14-18-16-10-5-7-13-21(16)27-22(18)26/h1-13,18,23,25H,14H2/b24-19+	C22H18N2O3	358.39	5	2	70.92	4	5	1	-1.1873	4.93367	3.33	6.729	26.9302	110.2625	2.6767	326.305440475885
Cond-010932	NSC648419	648419	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	44.9461638956365	c1(c(c(cc(c1)CC(=O)c1c(cc2c(c1)OCO2)c1ccccc1)OC)OC)OC	InChI=1S/C24H22O6/c1-26-22-10-15(11-23(27-2)24(22)28-3)9-19(25)18-13-21-20(29-14-30-21)12-17(18)16-7-5-4-6-8-16/h4-8,10-13H,9,14H2,1-3H3	C24H22O6	406.428	6	0	63.22	4	7	1	-0.6871	5.05108	3.44	5.34	39.3147	118.1	2.978	367.911028113769
Cond-010933	NSC648419	648419	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	54.1302069753482	c1(c(c(cc(c1)CC(=O)c1c(cc2c(c1)OCO2)c1ccccc1)OC)OC)OC	InChI=1S/C24H22O6/c1-26-22-10-15(11-23(27-2)24(22)28-3)9-19(25)18-13-21-20(29-14-30-21)12-17(18)16-7-5-4-6-8-16/h4-8,10-13H,9,14H2,1-3H3	C24H22O6	406.428	6	0	63.22	4	7	1	-0.6871	5.05108	3.44	5.34	39.3147	118.1	2.978	367.911028113769
Cond-010934	NSC648422	648422	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	73.2286545004351	c12c(ccc(c1)/C(=C/c1cc(c(c(c1)OC)OC)OC)/C)OCO2	InChI=1S/C19H20O5/c1-12(14-5-6-15-16(10-14)24-11-23-15)7-13-8-17(20-2)19(22-4)18(9-13)21-3/h5-10H,11H2,1-4H3/b12-7+	C19H20O5	328.359	5	0	46.15	3	5	0	0.456100000000001	4.71157	3	3.883	44.0201	94.4760000000001	2.4524	303.806713087074
Cond-010935	NSC650573	650573	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	32.7972704248061	c1ccc2c(c1)C(=O)c1c(/C/2=N/c2ccccc2)nc(o1)C	InChI=1S/C18H12N2O2/c1-11-19-16-15(20-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(16)22-11/h2-10H,1H3/b20-15+	C18H12N2O2	288.3	4	0	55.46	4	1	1	-0.4722	3.263	3	5.171	19.4669	88.024	2.0974	250.967733972656
Cond-010936	NSC650792	650792	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	55.4338488398945	N1(CCSCCSCCSCCSCC1)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C17H27NO2S5/c1-16-2-4-17(5-3-16)25(19,20)18-6-8-21-10-12-23-14-15-24-13-11-22-9-7-18/h2-5H,6-15H2,1H3	C17H27NO2S5	437.727	3	0	146.96	2	2	1	2.1839	4.16561	2.45	5.717	94.9397	113.837	3.1924	380.188237733824
Cond-010937	NSC650792	650792	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.2168845827123	N1(CCSCCSCCSCCSCC1)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C17H27NO2S5/c1-16-2-4-17(5-3-16)25(19,20)18-6-8-21-10-12-23-14-15-24-13-11-22-9-7-18/h2-5H,6-15H2,1H3	C17H27NO2S5	437.727	3	0	146.96	2	2	1	2.1839	4.16561	2.45	5.717	94.9397	113.837	3.1924	380.188237733824
Cond-010938	NSC65104	65104	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	n1c2nc[nH]c(c2nc1)NC1OC(C(C(C1O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)C(O)CO	InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)	C30H51N7O7	621.769	14	8	214.84	3	22	3	-6.4324	2.26017000000001	3.22	4.826	115.1865	169.2153	4.86130000000001	591.256777530696
Cond-010939	NSC651079	651079	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	93.31532789492	O=C1C(=C(C(=O)c2c1nc1n2CCC1OC(=O)CC)C)N1CC1	InChI=1S/C16H17N3O4/c1-3-10(20)23-9-4-5-19-13-11(17-16(9)19)15(22)12(18-6-7-18)8(2)14(13)21/h9H,3-7H2,1-2H3	C16H17N3O4	315.324	7	0	81.27	4	4	0	-0.342399999999997	1.66827	2.45	0.731	67.602	83.2235	2.2048	277.298813133412
Cond-010940	NSC651080	651080	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.954489833405	O=C1C(=C(C(=O)c2c1nc1n2CCC1OC(=O)CCl)C)N1CC1	InChI=1S/C15H14ClN3O4/c1-7-11(18-4-5-18)14(22)10-12(13(7)21)19-3-2-8(15(19)17-10)23-9(20)6-16/h8H,2-6H2,1H3	C15H14ClN3O4	335.742	7	0	81.27	4	4	0	0.114000000000002	1.49707	2.23	0.715	67.3317	83.6525	2.1863	275.213896277979
Cond-010941	NSC651084	651084	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.504929805274	O=C1C(=C(C(=O)c2c1nc1n2CCC1OC(=O)COC)C)NC(=O)C	InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h9H,4-6H2,1-3H3,(H,17,20)	C16H17N3O6	347.323	9	1	116.59	3	6	0	-1.3434	0.99067	2.23	-0.356	69.5754	87.2737	2.3878	304.599266534534
Cond-010942	NSC652287	652287	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.382069845878	s1c(ccc1c1oc(cc1)c1sc(cc1)CO)CO	InChI=1S/C14H12O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2	C14H12O3S2	292.373	3	2	110.08	3	4	0	0.1297	2.08969	2.45	2.322	31.7597	73.2346	2.0005	228.500843372617
Cond-010943	NSC653000	653000	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1(nc(nc(n1)N(CNCCO)CNCCO)N(CNCCO)CNCCO)N(CNCCO)CNCCO	InChI=1S/C21H48N12O6/c34-7-1-22-13-31(14-23-2-8-35)19-28-20(32(15-24-3-9-36)16-25-4-10-37)30-21(29-19)33(17-26-5-11-38)18-27-6-12-39/h22-27,34-39H,1-18H2	C21H48N12O6	564.683	18	12	241.95	1	27	3	-5.0724	-5.13533	1.79	-5.463	125.8314	149.503	4.3797	525.30878374217
Cond-010944	NSC65346	65346	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6674148062149	n1c(c2c(cn(c2nc1)C1OC(C(C1O)O)CO)C(=O)N)N	InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)	C12H15N5O5	309.278	10	7	169.74	3	3	0	-2.9139	-1.78372	1.68	-2.754	41.9579	78.0592	2.0511	242.991539148439
Cond-010945	NSC653558	653558	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.6177907650367	[Ge](CC)(CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC	InChI=1S/C16H34Ge2O4/c1-7-17(8-2,9-3)21-15(19)13-14-16(20)22-18(10-4,11-5)12-6/h7-14H2,1-6H3	C16H34Ge2O4	435.719	4	0	52.6	0	13	2	-1.2136	6.02147000000001	2.56	5.312	70.898	94.033	3.087	NA
Cond-010946	NSC65381	65381	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9536346930915	C(=O)(C#CC(=O)N)N	InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)	C4H4N2O2	112.087	4	4	86.18	0	0	0	-0.6792	-1.72612	1.46	-1.484	23.4464	28.7628	0.8172	106.768536218522
Cond-010947	NSC65423	65423	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.160310042037	n1cc2ncn(c2nc1)C1OC(C(C1O)O)CO	InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2	C10H12N4O4	252.227	8	3	113.52	3	2	0	-1.5292	-1.03821	1.68	-1.279	30.2943	59.9024	1.6538	191.249041688778
Cond-010948	NSC654259	654259	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cc(c(cc1)NC(=O)CN)C(=O)NC(=O)Nc1ccc(c(c1)C)Oc1ncc(cn1)Br.Cl	InChI=1S/C21H19BrN6O4.ClH/c1-12-8-14(6-7-17(12)32-21-24-10-13(22)11-25-21)26-20(31)28-19(30)15-4-2-3-5-16(15)27-18(29)9-23;/h2-8,10-11H,9,23H2,1H3,(H,27,29)(H2,26,28,30,31);1H	C21H20BrClN6O4	535.778	10	5	148.33	3	10	0	-0.961	3.6721	2.56	4.058	46.83	125.923	3.2343	390.790342360813
Cond-010949	NSC654705	654705	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.417152350288	c1c(c(cc(c1)O)CNc1ccc(cc1)C(=O)OC)O	InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3	C15H15NO4	273.284	5	3	78.79	2	5	0	-1.3182	2.55069	2.56	2.063	25.1298	79.8305	2.0385	249.185766792011
Cond-010950	NSC655255	655255	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.264681016293	Oc1c(cc(cc1)CCc1c(ccc(c1)O)O)C(=O)O	InChI=1S/C15H14O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h2,4-8,16-18H,1,3H2,(H,19,20)	C15H14O5	274.269	5	4	97.99	2	4	0	-1.4959	2.25519	2.56	3.229	24.6439	75.2672	1.9974	246.979233284406
Cond-010951	NSC657298	657298	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	52.958988786993	C1N(CCC(C1C(=O)/C=C/c1ccc(cc1)C)(/C=C/c1ccc(cc1)C)O)CC.Cl	InChI=1S/C26H31NO2.ClH/c1-4-27-18-17-26(29,16-15-23-11-7-21(3)8-12-23)24(19-27)25(28)14-13-22-9-5-20(2)6-10-22;/h5-16,24,29H,4,17-19H2,1-3H3;1H/b14-13+,16-15+;	C26H32ClNO2	425.991	3	1	40.54	3	6	1	1.0603	3.97971000000001	3.99	8.753	70.626	119.5288	3.2764	404.231768173025
Cond-010952	NSC657446	657446	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	81.0517838981079	c1ccc(cc1N(=O)=O)c1csc2[n+]1C(=O)/C(=C/c1ccccc1OC)/S2.[Cl-]	InChI=1S/C19H13N2O4S2.ClH/c1-25-16-8-3-2-5-13(16)10-17-18(22)20-15(11-26-19(20)27-17)12-6-4-7-14(9-12)21(23)24;/h2-11H,1H3;1H/q+1;/p-1/b17-10-;	C19H13ClN2O4S2	432.901	6	0	126.86	4	4	1	1.1757	4.73286	2.67	5.498	43.8806	107.671	2.6612	321.543990764446
Cond-010953	NSC657446	657446	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	52.4396452276174	c1ccc(cc1N(=O)=O)c1csc2[n+]1C(=O)/C(=C/c1ccccc1OC)/S2.[Cl-]	InChI=1S/C19H13N2O4S2.ClH/c1-25-16-8-3-2-5-13(16)10-17-18(22)20-15(11-26-19(20)27-17)12-6-4-7-14(9-12)21(23)24;/h2-11H,1H3;1H/q+1;/p-1/b17-10-;	C19H13ClN2O4S2	432.901	6	0	126.86	4	4	1	1.1757	4.73286	2.67	5.498	43.8806	107.671	2.6612	321.543990764446
Cond-010954	NSC657449	657449	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.2284731615491	C1=C(OC(=O)/C(=C\NC(=S)N)/C1=O)C	InChI=1S/C8H8N2O3S/c1-4-2-6(11)5(7(12)13-4)3-10-8(9)14/h2-3H,1H3,(H3,9,10,14)/b5-3-	C8H8N2O3S	212.226	5	3	113.51	1	2	0	0.0215000000000002	-0.18053	1.68	0.562	53.2151	55.5631	1.4514	188.25880807855
Cond-010955	NSC657456	657456	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.4984508521829	c1cc2c(cc1)/C(=N/Nc1scc(n1)c1ccc(cc1)Br)/C(=O)N2	InChI=1S/C17H11BrN4OS/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)22-21-15-12-3-1-2-4-13(12)19-16(15)23/h1-9H,(H,20,22)(H,19,21,23)	C17H11BrN4OS	399.264	5	2	94.62	4	3	1	0.3186	5.52616	2.56	5.823	33.7372	106.7074	2.4359	284.667686097729
Cond-010956	NSC657457	657457	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1(cc(cc(c1OC)OC)/C=C/1\S/C(=N/Nc2scc(n2)c2ccc(cc2)Br)/NC1=O)OC	InChI=1S/C22H19BrN4O4S2/c1-29-16-8-12(9-17(30-2)19(16)31-3)10-18-20(28)25-22(33-18)27-26-21-24-15(11-32-21)13-4-6-14(23)7-5-13/h4-11H,1-3H3,(H,24,26)(H,25,27,28)/b18-10-	C22H19BrN4O4S2	547.445	8	2	147.61	4	7	1	1.4335	5.58786	2.67	5.467	72.721	141.0374	3.437	413.390854685546
Cond-010957	NSC657598	657598	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	80.4737073766072	C1(=O)[n+]2c(csc2S/C/1=C\c1ccc(cc1)N(=O)=O)c1cccc(c1)N(=O)=O.[Cl-]	InChI=1S/C18H10N3O5S2.ClH/c22-17-16(8-11-4-6-13(7-5-11)20(23)24)28-18-19(17)15(10-27-18)12-2-1-3-14(9-12)21(25)26;/h1-10H;1H/q+1;/p-1/b16-8-;	C18H10ClN3O5S2	447.872	8	0	160.77	4	4	1	1.8876	4.49146	2.34	5.618	40.4548	109.647	2.6358	321.398534346507
Cond-010958	NSC657598	657598	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	52.4917559238618	C1(=O)[n+]2c(csc2S/C/1=C\c1ccc(cc1)N(=O)=O)c1cccc(c1)N(=O)=O.[Cl-]	InChI=1S/C18H10N3O5S2.ClH/c22-17-16(8-11-4-6-13(7-5-11)20(23)24)28-18-19(17)15(10-27-18)12-2-1-3-14(9-12)21(25)26;/h1-10H;1H/q+1;/p-1/b16-8-;	C18H10ClN3O5S2	447.872	8	0	160.77	4	4	1	1.8876	4.49146	2.34	5.618	40.4548	109.647	2.6358	321.398534346507
Cond-010959	NSC657603	657603	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7407430552436	c1ccc2c(c1)[n+]1c(n(c2=O)CCC)scc1c1ccc(cc1)N(=O)=O.[Br-]	InChI=1S/C19H16N3O3S.BrH/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(12-26-19(20)21)13-7-9-14(10-8-13)22(24)25;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1	C19H16BrN3O3S	446.318	6	0	95.79	4	4	1	-1.0531	4.52807	2.78	5.615	32.6475	105.925	2.5818	307.877958915252
Cond-010960	NSC657722	657722	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cccc(c1Cl)CS(=O)(=O)C(C(=O)C(=O)Nc1c(cccc1C)C)c1ccccc1Cl	InChI=1S/C24H21Cl2NO4S/c1-15-8-7-9-16(2)21(15)27-24(29)22(28)23(18-11-4-6-13-20(18)26)32(30,31)14-17-10-3-5-12-19(17)25/h3-13,23H,14H2,1-2H3,(H,27,29)	C24H21Cl2NO4S	490.399	5	1	88.69	3	8	1	1.3033	6.20223	3.22	6.387	51.6995	127.8897	3.4343	419.97849451928
Cond-010961	NSC657799	657799	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1c(c(ccc1CCN(C)CCCC(c1cc(c(cc1)OC)OC)(C(C)C)C#N)OC)OC.Cl	InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H	C27H39ClN2O4	491.063	6	0	63.95	2	13	1	0.1993	5.15929000000001	3.77	4.71	82.598	133.174	3.7861	465.097883809781
Cond-010962	NSC658139	658139	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	c1(cc2c(cc1)c1c(/C/2=N\N=C2c3c(cccc3)Cc3ccccc23)cc(cc1N(=O)=O)N(=O)=O)N(=O)=O	InChI=1S/C27H15N5O6/c33-30(34)17-9-10-21-22(12-17)27(23-13-18(31(35)36)14-24(25(21)23)32(37)38)29-28-26-19-7-3-1-5-15(19)11-16-6-2-4-8-20(16)26/h1-10,12-14H,11H2/b29-27-	C27H15N5O6	505.438	11	0	154.14	6	4	1	2.2253	5.53789	3.22	9.954	29.4772	146.483	3.38150000000001	420.714654725002
Cond-010963	NSC658144	658144	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.325539157715	c1c(c2c(c(c1)O)C(=O)C=C(C2=O)N1CCNCC1)O	InChI=1S/C14H14N2O4/c17-9-1-2-10(18)13-12(9)11(19)7-8(14(13)20)16-5-3-15-4-6-16/h1-2,7,15,17-18H,3-6H2	C14H14N2O4	274.272	6	3	89.87	3	1	0	-1.8947	0.16048	2.34	-0.33	50.4392	73.7098	1.9318	244.066542374312
Cond-010964	NSC658285	658285	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.3514334279205	c1cc(c(cc1)Cl)/C=C\1/Sc2sc(c([n+]2C1=O)C)C(=O)C	InChI=1S/C15H11ClNO2S2/c1-8-13(9(2)18)21-15-17(8)14(19)12(20-15)7-10-5-3-4-6-11(10)16/h3-7H,1-2H3/q+1/b12-7+	C15H11ClNO2S2+	336.836	3	0	91.56	3	2	0	1.4973	4.18039	2.45	3.801	54.7933	85.1915	2.2404	270.159741225323
Cond-010965	NSC658293	658293	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	80.0509995614287	c1cc(ccc1N(=O)=O)/C=C\1/C(=O)[n+]2c(S1)sc(c2C)C(=O)OCC.[Cl-]	InChI=1S/C16H13N2O5S2.ClH/c1-3-23-15(20)13-9(2)17-14(19)12(24-16(17)25-13)8-10-4-6-11(7-5-10)18(21)22;/h4-8H,3H2,1-2H3;1H/q+1;/p-1/b12-8-;	C16H13ClN2O5S2	412.868	7	0	143.93	3	5	0	1.9286	3.8352	2.23	3.86	58.5795	99.0095	2.4918	306.975639689806
Cond-010966	NSC658350	658350	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	s1c(ncc1CC(=O)Nc1ccccc1C)N/N=C/1\N(C(=O)/C(=C\Nc2ccccc2)/S1)CC	InChI=1S/C24H24N6O2S2/c1-3-30-22(32)20(15-25-17-10-5-4-6-11-17)34-24(30)29-28-23-26-14-18(33-23)13-21(31)27-19-12-8-7-9-16(19)2/h4-12,14-15,25H,3,13H2,1-2H3,(H,26,28)(H,27,31)/b20-15+,29-24+	C24H24N6O2S2	492.616	8	3	152.26	4	9	1	0.1534	6.30187000000001	3	6.087	72.1995	144.2941	3.58300000000001	430.475813274125
Cond-010967	NSC658388	658388	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9412675710112	c1cc2c(cc1)c1c(n2C)C(=O)N(CC1)CCCCN(C)C.Cl	InChI=1S/C18H25N3O.ClH/c1-19(2)11-6-7-12-21-13-10-15-14-8-4-5-9-16(14)20(3)17(15)18(21)22;/h4-5,8-9H,6-7,10-13H2,1-3H3;1H	C18H26ClN3O	335.872	4	0	28.48	3	5	0	-0.587100000000001	2.89198	3	2.652	54.7392	94.3770000000001	2.4621	289.613019685062
Cond-010968	NSC658494	658494	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.374365458054	C1(=O)N(/C(=N/C(=O)C)/N(/C/1=C\c1ccccc1Cl)C)/C=C\1/C(=O)c2ccccc2OC1=O	InChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11-,25-23+	C23H16ClN3O5	449.843	8	0	96.35	4	3	1	-1.0889	3.41905	3	5.32	67.2436	121.4315	3.0712	393.016789079874
Cond-010969	NSC658709	658709	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8573467246721	c1cccc(c1)C(=O)/C=C(/C(=O)Nc1ccc(cc1)OC)\O	InChI=1S/C17H15NO4/c1-22-14-9-7-13(8-10-14)18-17(21)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,18,21)/b16-11-	C17H15NO4	297.305	5	2	75.63	2	6	0	-1.1524	3.45317	2.78	4.189	31.9523	86.1025	2.2343	278.504818642145
Cond-010970	NSC659174	659174	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	84.8454460651543	C(Cl)(F)(F)C(C(F)(F)F)(O)CC(=O)CC(O)(C(F)(F)F)C(F)(F)Cl	InChI=1S/C9H6Cl2F10O3/c10-6(12,13)4(23,8(16,17)18)1-3(22)2-5(24,7(11,14)15)9(19,20)21/h23-24H,1-2H2	C9H6Cl2F10O3	423.032	3	2	57.53	0	8	0	3.1012	3.81959	0.8	4.463	59.5876	61.0936	1.9316	279.052265778414
Cond-010971	NSC659174	659174	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	58.3503694434509	C(Cl)(F)(F)C(C(F)(F)F)(O)CC(=O)CC(O)(C(F)(F)F)C(F)(F)Cl	InChI=1S/C9H6Cl2F10O3/c10-6(12,13)4(23,8(16,17)18)1-3(22)2-5(24,7(11,14)15)9(19,20)21/h23-24H,1-2H2	C9H6Cl2F10O3	423.032	3	2	57.53	0	8	0	3.1012	3.81959	0.8	4.463	59.5876	61.0936	1.9316	279.052265778414
Cond-010972	NSC65937	65937	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9143791706739	O=c1oc2cc(ccc2c2ccccc12)NC(=O)C(Cl)Cl	InChI=1S/C15H9Cl2NO3/c16-13(17)14(19)18-8-5-6-10-9-3-1-2-4-11(9)15(20)21-12(10)7-8/h1-7,13H,(H,18,19)	C15H9Cl2NO3	322.143	4	1	55.4	3	3	0	0.4791	4.14598	2.45	4.384	29.1334	86.9267	2.073	255.824758230717
Cond-010973	NSC659501	659501	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	90.5372622423124	c1cc2c(cc1)C(=O)c1c(C2=O)n(/c(=N/C)/s1)C	InChI=1S/C13H10N2O2S/c1-14-13-15(2)9-10(16)7-5-3-4-6-8(7)11(17)12(9)18-13/h3-6H,1-2H3/b14-13-	C13H10N2O2S	258.296	4	0	75.04	3	0	0	-0.4527	1.83618	2.34	2.76	47.2724	73.5935	1.794	225.062669704123
Cond-010974	NSC659501	659501	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.06060595025652	c1cc2c(cc1)C(=O)c1c(C2=O)n(/c(=N/C)/s1)C	InChI=1S/C13H10N2O2S/c1-14-13-15(2)9-10(16)7-5-3-4-6-8(7)11(17)12(9)18-13/h3-6H,1-2H3/b14-13-	C13H10N2O2S	258.296	4	0	75.04	3	0	0	-0.4527	1.83618	2.34	2.76	47.2724	73.5935	1.794	225.062669704123
Cond-010975	NSC659997	659997	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	73.0256503624846	c1c(c2c(c(c1)O)C(=O)C(=C(C2=O)Cl)OCCOC)O	InChI=1S/C13H11ClO6/c1-19-4-5-20-13-10(14)11(17)8-6(15)2-3-7(16)9(8)12(13)18/h2-3,15-16H,4-5H2,1H3	C13H11ClO6	298.676	6	2	93.06	2	4	0	-1.2412	1.48478	2.12	0.239	48.543	71.8911	1.9397	249.925017204467
Cond-010976	NSC659997	659997	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	6.24341364081541	c1c(c2c(c(c1)O)C(=O)C(=C(C2=O)Cl)OCCOC)O	InChI=1S/C13H11ClO6/c1-19-4-5-20-13-10(14)11(17)8-6(15)2-3-7(16)9(8)12(13)18/h2-3,15-16H,4-5H2,1H3	C13H11ClO6	298.676	6	2	93.06	2	4	0	-1.2412	1.48478	2.12	0.239	48.543	71.8911	1.9397	249.925017204467
Cond-010977	NSC659999	659999	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	c1c(c2c(c(c1)O)C(=O)C(=C(C2=O)N1CCN(CC1)CCOCCO)Br)O.Cl	InChI=1S/C18H21BrN2O6.ClH/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25;/h1-2,22-24H,3-10H2;1H	C18H22BrClN2O6	477.734	8	3	110.54	3	6	0	-1.4697	0.60438	2.45	-0.237	80.679	103.0549	2.7878	350.114553256468
Cond-010978	NSC662553	662553	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.472994050468	c12NC(=O)Cc3c(c1cccc2)n(nc3C)c1ccccc1	InChI=1S/C18H15N3O/c1-12-15-11-17(22)19-16-10-6-5-9-14(16)18(15)21(20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)	C18H15N3O	289.331	4	1	46.4	4	1	0	-0.1473	4.83359	3	4.352	20.6212	92.1337	2.1815	255.810726181062
Cond-010979	NSC662825	662825	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	75.9933604587746	C(C(Cl)(CBr)C(=C)Cl)CC(Br)C(Cl)(C)C	InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(12)9(2,3)14/h8H,1,4-6H2,2-3H3	C10H15Br2Cl3	401.393	0	0	0	0	6	1	4.5804	5.59869	2.01	5.538	74.8373	78.982	2.1918	263.0802875251
Cond-010980	NSC66300	66300	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.2834167365597	N(=C\C(CCCC)CC)/NC(=N)N.c1(c(cc(c(c1)O)C(C)C)S(=O)(=O)O)C	InChI=1S/C10H14O4S.C9H20N4/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-3-5-6-8(4-2)7-12-13-9(10)11/h4-6,11H,1-3H3,(H,12,13,14);7-8H,3-6H2,1-2H3,(H4,10,11,13)/b;12-7+	C19H34N4O4S	414.563	4	2	82.98	1	2	0	0.2131	2.72951	2.01	1.353	33.2539	54.0318	1.6783	204.020401016111
Cond-010981	NSC663996	663996	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	102.893452997863	c1(ccc(c2c1CCCC2)OC)NC1=NCCO1	InChI=1S/C14H18N2O2/c1-17-13-7-6-12(16-14-15-8-9-18-14)10-4-2-3-5-11(10)13/h6-7H,2-5,8-9H2,1H3,(H,15,16)	C14H18N2O2	246.305	4	1	42.85	3	3	0	-0.6298	3.37067	2.56	3.051	42.1573	74.6317	1.9004	231.759006374789
Cond-010982	NSC664181	664181	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	95.2932617955888	C1(=O)C(CCC1C(O)(C(F)(F)F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F	InChI=1S/C11H8F12O3/c12-8(13,14)6(25,9(15,16)17)3-1-2-4(5(3)24)7(26,10(18,19)20)11(21,22)23/h3-4,25-26H,1-2H2	C11H8F12O3	416.16	3	2	57.53	1	6	1	2.86	3.52699	1.02	5.293	56.9664	58.5836	1.8954	283.000758489094
Cond-010983	NSC664286	664286	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.270773354824	C1N=C(OC1)NN(C)c1cc2ccccc2cc1	InChI=1S/C14H15N3O/c1-17(16-14-15-8-9-18-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3,(H,15,16)	C14H15N3O	241.288	4	1	36.86	3	3	0	-0.0112999999999994	2.59158	2.56	4.447	27.8822	74.9797	1.8555	217.792622480795
Cond-010984	NSC664298	664298	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.175490752458	C1OC(=NC1)NC(Cc1ccccc1)C	InChI=1S/C12H16N2O/c1-10(14-12-13-7-8-15-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)	C12H16N2O	204.268	3	1	33.62	2	4	0	-0.0635000000000005	1.49109	2.45	4.289	33.4495	61.8127	1.6685	200.733269123295
Cond-010985	NSC664327	664327	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.719970191398	OC(C(F)(F)F)(C(F)(F)F)C(C(=O)C)N1CCCCC1	InChI=1S/C11H15F6NO2/c1-7(19)8(18-5-3-2-4-6-18)9(20,10(12,13)14)11(15,16)17/h8,20H,2-6H2,1H3	C11H15F6NO2	307.233	3	1	40.54	1	5	0	0.212399999999999	2.51949	1.68	2.849	52.8872	60.1958	1.8303	248.801938894861
Cond-010986	NSC664329	664329	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	93.6247845188309	c1ccc(cc1Cl)/C(=N/O)/CC(O)(C(F)(F)F)C(F)(F)F	InChI=1S/C11H8ClF6NO2/c12-7-3-1-2-6(4-7)8(19-21)5-9(20,10(13,14)15)11(16,17)18/h1-4,20-21H,5H2/b19-8+	C11H8ClF6NO2	335.63	3	2	52.82	1	5	0	2.0082	3.7641	1.57	4.639	36.7825	61.4523	1.8237	245.203630562894
Cond-010987	NSC664331	664331	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.62952619493	N1=C(OCC1)Nc1c2c(ccc1)C(=O)C=C2C	InChI=1S/C13H12N2O2/c1-8-7-11(16)9-3-2-4-10(12(8)9)15-13-14-5-6-17-13/h2-4,7H,5-6H2,1H3,(H,14,15)	C13H12N2O2	228.247	4	1	50.69	3	2	0	0.4169	1.86998	2.45	1.956	39.159	68.2597	1.6735	209.190104347323
Cond-010988	NSC666168	666168	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.018563603864	c12c3c(C4(c1cccc2)C(=O)NC(=NN4)N=N#N)cccc3	InChI=1S/C15H10N6O/c16-21-19-14-17-13(22)15(20-18-14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,20H,(H,17,18,22)	C15H10N6O	290.28	7	2	65.85	4	1	1	-3.2535	0.9166	2.34	5.115	24.2442	78.4654	2.0152	245.176594227162
Cond-010989	NSC666526	666526	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	10.0728476299674	CCCCCCC1CC(=O)C1(Cl)Cl	InChI=1S/C10H16Cl2O/c1-2-3-4-5-6-8-7-9(13)10(8,11)12/h8H,2-7H2,1H3	C10H16Cl2O	223.139	1	0	17.07	1	5	0	-0.292800000000001	3.95359	2.23	3.734	49.1999	59.553	1.6695	205.735749799295
Cond-010990	NSC667235	667235	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.7849455098184	c1cc(cc2c1c(cc(=O)o2)CC(=O)OCC)O	InChI=1S/C13H12O5/c1-2-17-12(15)5-8-6-13(16)18-11-7-9(14)3-4-10(8)11/h3-4,6-7,14H,2,5H2,1H3	C13H12O5	248.231	5	1	72.83	2	4	0	-0.0895000000000008	2.19977	2.34	1.328	38.7111	67.2108	1.7586	225.923722733472
Cond-010991	NSC667251	667251	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	89.8142712280514	c1(ccccc1)/C(=C/c1cccc(c1)N(C)C)/C#N	InChI=1S/C17H16N2/c1-19(2)17-10-6-7-14(12-17)11-16(13-18)15-8-4-3-5-9-15/h3-12H,1-2H3/b16-11+	C17H16N2	248.322	2	0	27.03	2	3	1	0.524700000000001	3.59138	3.11	5.905	29.5885	80.3590000000001	2.0993	254.340672048067
Cond-010992	NSC667467	667467	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	30.5848248282387	c1cc2c(cc1)ncc1c2SC(C(=S)N1)c1ccccc1	InChI=1S/C17H12N2S2/c20-17-15(11-6-2-1-3-7-11)21-16-12-8-4-5-9-13(12)18-10-14(16)19-17/h1-10,15H,(H,19,20)	C17H12N2S2	308.421	2	1	82.31	4	1	1	0.6978	4.31828	2.89	5.129	26.5487	88.9187	2.2091	255.745802761667
Cond-010993	NSC668260	668260	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	75.6330898660913	O1C(=O)C(=C)CC1(Cn1c(=O)[nH]c(=O)c(c1)Br)c1ccc(cc1)c1ccccc1	InChI=1S/C22H17BrN2O4/c1-14-11-22(29-20(14)27,13-25-12-18(23)19(26)24-21(25)28)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,12H,1,11,13H2,(H,24,26,28)	C22H17BrN2O4	453.285	6	1	75.71	4	4	1	0.116999999999999	3.63367	3.11	6.313	58.9672	113.4687	2.9104	365.279286154013
Cond-010994	NSC668270	668270	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	45.4344059593383	c1cc2c(cc1)oc(=O)cc2OCC1(OC(=O)C(=C)C1)c1ccccc1	InChI=1S/C21H16O5/c1-14-12-21(26-20(14)23,15-7-3-2-4-8-15)13-24-18-11-19(22)25-17-10-6-5-9-16(17)18/h2-11H,1,12-13H2	C21H16O5	348.349	5	0	61.83	4	4	1	0.1378	3.49876	3.22	5.676	44.4706	97.169	2.4966	318.132847535607
Cond-010995	NSC66914	66914	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.91886706661	Clc1nc(nc(Cl)c1CCC)Cl	InChI=1S/C7H7Cl3N2/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3	C7H7Cl3N2	225.503	2	0	25.78	1	2	0	1.1927	3.3893	1.68	3.197	31.8722	51.057	1.4241	166.0892400063
Cond-010996	NSC669356	669356	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.3827129032891	N1(C(C(=O)NCc2ccccc2)CCC1)C(=O)C1N(CCC1)C(=O)C(N(C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C)C)C(C)C.Cl	InChI=1S/C35H56N6O5.ClH/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25;/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43);1H	C35H57ClN6O5	677.317	11	2	122.37	3	18	2	-3.0379	2.38919000000001	4.1	4.018	142.396	180.7234	5.26260000000001	654.786569649139
Cond-010997	NSC670140	670140	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	c1cc2c(cc1)C(C(c1c(/C/2=N\OC(=O)c2ccccc2)cccc1)Br)Br	InChI=1S/C22H15Br2NO2/c23-19-15-10-4-6-12-17(15)21(18-13-7-5-11-16(18)20(19)24)25-27-22(26)14-8-2-1-3-9-14/h1-13,19-20H	C22H15Br2NO2	485.168	3	0	38.66	4	3	1	1.4801	5.67219	3.33	9.831	36.8888	117.606	2.8682	345.085691522291
Cond-010998	NSC670224	670224	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	13.8592280281298	C1[C@H](CC[C@@](C1)(Cc1c(cc(cc1)Cl)Cl)OCCN(C)C)C(C)(C)C.Cl	InChI=1S/C21H33Cl2NO.ClH/c1-20(2,3)17-8-10-21(11-9-17,25-13-12-24(4)5)15-16-6-7-18(22)14-19(16)23;/h6-7,14,17H,8-13,15H2,1-5H3;1H/t17-,21+;	C21H34Cl3NO	422.86	2	0	12.47	2	7	1	3.8843	6.08920000000001	3.33	6.711	83.3605	108.816	3.1246	378.458964789597
Cond-010999	NSC670224	670224	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	87.3263727582606	C1[C@H](CC[C@@](C1)(Cc1c(cc(cc1)Cl)Cl)OCCN(C)C)C(C)(C)C.Cl	InChI=1S/C21H33Cl2NO.ClH/c1-20(2,3)17-8-10-21(11-9-17,25-13-12-24(4)5)15-16-6-7-18(22)14-19(16)23;/h6-7,14,17H,8-13,15H2,1-5H3;1H/t17-,21+;	C21H34Cl3NO	422.86	2	0	12.47	2	7	1	3.8843	6.08920000000001	3.33	6.711	83.3605	108.816	3.1246	378.458964789597
Cond-011000	NSC670225	670225	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	60.5628067240119	C1[C@@H](CC[C@](C1)(Cc1ccc(cc1)C)OCCN(C)C)C(C)(C)C.C(=C\C(=O)O)/C(=O)O	InChI=1S/C22H37NO.C4H4O4/c1-18-7-9-19(10-8-18)17-22(24-16-15-23(5)6)13-11-20(12-14-22)21(2,3)4;5-3(6)1-2-4(7)8/h7-10,20H,11-17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,22+;	C26H41NO5	447.607	2	0	12.47	2	7	1	3.0377	4.81042000000001	3.66	7.897	77.6314	102.436	3.0207	365.332813874597
Cond-011001	NSC670225	670225	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	96.5515853555384	C1[C@@H](CC[C@](C1)(Cc1ccc(cc1)C)OCCN(C)C)C(C)(C)C.C(=C\C(=O)O)/C(=O)O	InChI=1S/C22H37NO.C4H4O4/c1-18-7-9-19(10-8-18)17-22(24-16-15-23(5)6)13-11-20(12-14-22)21(2,3)4;5-3(6)1-2-4(7)8/h7-10,20H,11-17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,22+;	C26H41NO5	447.607	2	0	12.47	2	7	1	3.0377	4.81042000000001	3.66	7.897	77.6314	102.436	3.0207	365.332813874597
Cond-011002	NSC670226	670226	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	69.8275569719085	C1[C@H](CCC(C1)(Cc1ccc(cc1)F)OCCN(C)C)C(C)(C)C.OC(=O)/C=C/C(=O)O	InChI=1S/C21H34FNO.C4H4O4/c1-20(2,3)18-10-12-21(13-11-18,24-15-14-23(4)5)16-17-6-8-19(22)9-7-17;5-3(6)1-2-4(7)8/h6-9,18H,10-16H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,21?;	C25H38FNO5	451.571	2	0	12.47	2	7	1	2.8754	4.58259000000001	3.44	6.478	73.0018	100.889	2.8975	354.104388099036
Cond-011003	NSC670229	670229	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	71.0973715672313	C1[C@@H](CCC(C1)(Cc1ccc(cc1)C)OCCN(C)C)C(C)(C)C.OC(=O)/C=C/C(=O)O	InChI=1S/C22H37NO.C4H4O4/c1-18-7-9-19(10-8-18)17-22(24-16-15-23(5)6)13-11-20(12-14-22)21(2,3)4;5-3(6)1-2-4(7)8/h7-10,20H,11-17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,22?;	C26H41NO5	447.607	2	0	12.47	2	7	1	3.0377	4.81042000000001	3.66	7.897	77.6314	102.436	3.0207	365.332813874597
Cond-011004	NSC671136	671136	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1ccc(cc1)n1c(=O)c2c(n(c3ccccc3)c1=S)sc(c2OC(=O)c1ccc(cc1Cl)Cl)C(=O)C	InChI=1S/C27H16Cl2N2O4S2/c1-15(32)23-22(35-26(34)19-13-12-16(28)14-20(19)29)21-24(33)30(17-8-4-2-5-9-17)27(36)31(25(21)37-23)18-10-6-3-7-11-18/h2-14H,1H3	C27H16Cl2N2O4S2	567.463	6	0	127.25	5	6	1	1.8821	8.54105	3.33	8.2	58.9618	152.657	3.73110000000001	455.213480457846
Cond-011005	NSC671394	671394	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	C1(=S)N(/C(=N/c2ccc(cc2)OC)/C(=N\c2ccc(cc2)OC)/N1c1ccc(cc1)N(C)C)c1ccc(cc1)OC	InChI=1S/C32H31N5O3S/c1-35(2)24-10-12-25(13-11-24)36-30(33-22-6-16-27(38-3)17-7-22)31(34-23-8-18-28(39-4)19-9-23)37(32(36)41)26-14-20-29(40-5)21-15-26/h6-21H,1-5H3/b33-30+,34-31+	C32H31N5O3S	565.685	8	0	94.22	5	8	1	0.4032	7.69986	3.99	9.052	66.5695	173.975	4.26800000000001	516.962297912653
Cond-011006	NSC671424	671424	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.671074087465	c1c2c(ccc1N(=O)=O)o/c(=N/c1ccccc1)/c(=N\c1ccccc1)/[nH]2	InChI=1S/C20H14N4O3/c25-24(26)16-11-12-18-17(13-16)23-19(21-14-7-3-1-4-8-14)20(27-18)22-15-9-5-2-6-10-15/h1-13H,(H,21,23)/b22-20+	C20H14N4O3	358.35	7	1	89.12	4	3	1	0.2506	5.57656	2.89	7.28	20.1374	111.0947	2.5515	311.070532939685
Cond-011007	NSC672425	672425	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	44.0444358534682	c12cc(=O)c3c(c1nc1c(o2)ccc(c1)C[C@H](N)C(=O)O)cccc3.N(=O)(=O)O	InChI=1S/C19H14N2O4.HNO3/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16;2-1(3)4/h1-6,8-9,13H,7,20H2,(H,23,24);(H,2,3,4)/t13-;/m0./s1	C19H15N3O7	397.338	6	3	101.98	4	3	0	-1.6936	2.89527	2.89	1.035	42.769	96.4717	2.3557	296.744171999646
Cond-011008	NSC672425	672425	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.9330009164711	c12cc(=O)c3c(c1nc1c(o2)ccc(c1)C[C@H](N)C(=O)O)cccc3.N(=O)(=O)O	InChI=1S/C19H14N2O4.HNO3/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16;2-1(3)4/h1-6,8-9,13H,7,20H2,(H,23,24);(H,2,3,4)/t13-;/m0./s1	C19H15N3O7	397.338	6	3	101.98	4	3	0	-1.6936	2.89527	2.89	1.035	42.769	96.4717	2.3557	296.744171999646
Cond-011009	NSC672904	672904	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	5.57057692740843	[N+](C)(C)(CCl)CCCCCCCCCCCCCCCC.[Cl-]	InChI=1S/C19H41ClN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20;/h4-19H2,1-3H3;1H/q+1;/p-1	C19H41Cl2N	354.442	1	0	0	0	16	2	-4.6692	6.74040000000001	3.33	8.457	73.1028	98.0074000000001	3.0294	364.706223921269
Cond-011010	NSC672904	672904	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	66.0482308654352	[N+](C)(C)(CCl)CCCCCCCCCCCCCCCC.[Cl-]	InChI=1S/C19H41ClN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20;/h4-19H2,1-3H3;1H/q+1;/p-1	C19H41Cl2N	354.442	1	0	0	0	16	2	-4.6692	6.74040000000001	3.33	8.457	73.1028	98.0074000000001	3.0294	364.706223921269
Cond-011011	NSC673622	673622	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	70.4084793560522	c1(c(c(cc(c1)C(c1ccc(cc1)OC)N1C(=O)CCC1C(=O)OC)OC)OC)OC	InChI=1S/C23H27NO7/c1-27-16-8-6-14(7-9-16)21(24-17(23(26)31-5)10-11-20(24)25)15-12-18(28-2)22(30-4)19(13-15)29-3/h6-9,12-13,17,21H,10-11H2,1-5H3	C23H27NO7	429.463	8	0	83.53	3	9	0	-1.2915	2.85049	3.11	2.447	62.8746	114.357	3.1902	398.93140649903
Cond-011012	NSC673622	673622	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	55.0428852125467	c1(c(c(cc(c1)C(c1ccc(cc1)OC)N1C(=O)CCC1C(=O)OC)OC)OC)OC	InChI=1S/C23H27NO7/c1-27-16-8-6-14(7-9-16)21(24-17(23(26)31-5)10-11-20(24)25)15-12-18(28-2)22(30-4)19(13-15)29-3/h6-9,12-13,17,21H,10-11H2,1-5H3	C23H27NO7	429.463	8	0	83.53	3	9	0	-1.2915	2.85049	3.11	2.447	62.8746	114.357	3.1902	398.93140649903
Cond-011013	NSC673912	673912	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.288080133271	C1C2C3C4C(C14)C2/C(=N/NC(=O)N)/C3	InChI=1S/C10H13N3O/c11-10(14)13-12-6-2-4-3-1-5-7(4)9(5)8(3)6/h3-5,7-9H,1-2H2,(H3,11,13,14)/b12-6+	C10H13N3O	191.23	4	3	67.48	2	2	0	-1.7677	0.0381799999999999	2.12	0.707	45.1361	53.9971	1.3553	168.598060079728
Cond-011014	NSC674495	674495	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	100.469204499982	c1ccc2c(c1)nc(s2)c1cc(c(cc1)N)C	InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3	C14H12N2S	240.323	2	2	67.15	3	1	0	0.4827	4.6477	2.67	3.571	17.5177	72.2674	1.8175	202.978200928867
Cond-011015	NSC675593	675593	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0785245797934	n1c(nc(c(c1SC(=S)N(CCC)CCC)N(=O)=O)N1CCN(CC1)c1nc(nc(c1N(=O)=O)SC(=S)N(CCC)CCC)C)C	InChI=1S/C28H42N10O4S4/c1-7-11-35(12-8-2)27(43)45-25-21(37(39)40)23(29-19(5)31-25)33-15-17-34(18-16-33)24-22(38(41)42)26(32-20(6)30-24)46-28(44)36(13-9-3)14-10-4/h7-18H2,1-6H3	C28H42N10O4S4	710.958	14	0	265.58	3	18	2	3.3418	8.00080000000001	2.56	6.164	144.7662	200.275	5.1848	626.774670228979
Cond-011016	NSC67574	67574	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	93.6182749566292	N1([C@@H]2[C@@]3([C@H]4N(CC=C[C@]4([C@H]([C@]2(O)C(=O)OC)OC(=O)C)CC)CC3)c2cc([C@]3(C[C@H]4C[C@](CN(CCc5c3[nH]c3c5cccc3)C4)(CC)O)C(=O)OC)c(cc12)OC)C=O.S(=O)(=O)(O)O	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H58N4O14S	923.036	14	3	171.17	9	11	2	-2.7746	4.45076000000001	4.98	3.564	163.0558	226.832599999999	6.08280000000002	760.515426612143
Cond-011017	NSC67580	67580	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.8786084070454	O=c1cc(oc2c1c(c(c(c2OC)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC	InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3	C22H24O9	432.421	9	0	90.91	3	8	0	-0.866200000000001	3.64947	2.89	1.348	67.7469	115.704	3.0669	388.219115066119
Cond-011018	NSC676561	676561	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.5435025343918	c1c(c(ccc1)S(=O)Nc1ccccc1)OC	InChI=1S/C13H13NO2S/c1-16-12-9-5-6-10-13(12)17(15)14-11-7-3-2-4-8-11/h2-10,14H,1H3	C13H13NO2S	247.313	3	1	57.54	2	4	0	-1.0843	3.72878	2.45	2.561	18.981	65.4972	1.8458	218.158826897556
Cond-011019	NSC67690	67690	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.850952289846	c1c2c(ccc1)Cc1c2ccc(c1)NC(=O)c1c(c2ccccc2C(=O)O)cccc1	InChI=1S/C27H19NO3/c29-26(24-11-5-3-9-22(24)23-10-4-6-12-25(23)27(30)31)28-19-13-14-21-18(16-19)15-17-7-1-2-8-20(17)21/h1-14,16H,15H2,(H,28,29)(H,30,31)	C27H19NO3	405.445	4	2	66.4	5	5	1	-0.4184	6.35298	3.99	9.8	19.2618	125.486	3.0438	370.622768593852
Cond-011020	NSC676963	676963	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	64.0427423147147	c1ccc2c(c1)Sc1c(N2CCCCN2CCN(CC2)Cc2ccc(cc2)C(=O)c2ccccc2)ccc(c1)N=N#N.C(=C\C(=O)O)\C(=O)O	InChI=1S/C34H34N6OS.C4H4O4/c35-37-36-29-16-17-31-33(24-29)42-32-11-5-4-10-30(32)40(31)19-7-6-18-38-20-22-39(23-21-38)25-26-12-14-28(15-13-26)34(41)27-8-2-1-3-9-27;5-3(6)1-2-4(7)8/h1-5,8-17,24H,6-7,18-23,25H2;1-2H,(H,5,6)(H,7,8)/b;2-1-	C38H38N6O5S	690.811	7	0	64.45	6	10	1	-2.5949	6.94628000000001	4.32	8.928	65.6421	164.8665	4.4236	532.61411527063
Cond-011021	NSC677392	677392	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.715526259778	C(=O)(CC(=O)Nc1ccc(cc1)OC)N1N=C(C(C1=O)/N=N/c1ccc(cc1)S(=O)(=O)c1ccc(/N=N\C2C(=O)N(C(=O)CC(=O)Nc3ccc(cc3)OC)N=C2C)cc1)C	InChI=1S/C40H36N10O10S/c1-23-37(39(55)49(47-23)35(53)21-33(51)41-25-5-13-29(59-3)14-6-25)45-43-27-9-17-31(18-10-27)61(57,58)32-19-11-28(12-20-32)44-46-38-24(2)48-50(40(38)56)36(54)22-34(52)42-26-7-15-30(60-4)16-8-26/h5-20,37-38H,21-22H2,1-4H3,(H,41,51)(H,42,52)/b45-43-,46-44+	C40H36N10O10S	848.84	20	2	268.1	6	18	3	-3.751	7.63383000000001	3.55	6.757	102.7212	220.397399999999	5.89550000000001	741.033893257944
Cond-011022	NSC678917	678917	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.297821096186	c1cc(c2c(c1OC)nc1c(n2)c(ccc1)C(=O)NCCN(C)C)OC.Cl	InChI=1S/C19H22N4O3.ClH/c1-23(2)11-10-20-19(24)12-6-5-7-13-16(12)22-18-15(26-4)9-8-14(25-3)17(18)21-13;/h5-9H,10-11H2,1-4H3,(H,20,24);1H	C19H23ClN4O3	390.864	7	1	76.58	3	7	0	-0.4974	2.46518	2.78	1.6	45.7889	105.0977	2.6912	316.676841817819
Cond-011023	NSC678932	678932	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9217184436347	c12c(c(ccc1)C(=O)NCCN(C)C)nc(c1ccncc1)[nH]2.Cl	InChI=1S/C17H19N5O.ClH/c1-22(2)11-10-19-17(23)13-4-3-5-14-15(13)21-16(20-14)12-6-8-18-9-7-12;/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,21);1H	C17H20ClN5O	345.827	6	2	73.91	3	6	0	-0.8142	1.85638	2.67	1.561	34.4573	95.5907000000001	2.3918	275.501179373129
Cond-011024	NSC679524	679524	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	c12c(c(=O)c(=O)c3c1cc(n3S(=O)(=O)c1ccc(cc1)C)C(=O)OCc1ccccc1)[nH]cc2C(=O)OC	InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)37-14-16-6-4-3-5-7-16)12-18-21-19(26(32)36-2)13-28-22(21)24(30)25(31)23(18)29/h3-13,28H,14H2,1-2H3	C27H20N2O8S	532.521	10	1	149.98	5	8	1	-1.3108	3.38529	3.22	5.547	53.628	132.7655	3.6006	444.079686362424
Cond-011025	NSC679527	679527	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1(c[nH]cc1c1cn(c(c1)C(=O)OC)S(=O)(=O)c1ccc(cc1)C)C(=O)OCc1ccccc1	InChI=1S/C25H22N2O6S/c1-17-8-10-20(11-9-17)34(30,31)27-15-19(12-23(27)25(29)32-2)21-13-26-14-22(21)24(28)33-16-18-6-4-3-5-7-18/h3-15,26H,16H2,1-2H3	C25H22N2O6S	478.517	8	1	115.84	4	9	1	-0.7832	3.60110000000001	3.22	5.872	42.936	123.0635	3.39600000000001	409.536639811969
Cond-011026	NSC680506	680506	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8079562070744	c1cc(ccc1C(C)C)C1C/C(=N/OCC(=O)O)/C=C(C1)C	InChI=1S/C18H23NO3/c1-12(2)14-4-6-15(7-5-14)16-8-13(3)9-17(10-16)19-22-11-18(20)21/h4-7,9,12,16H,8,10-11H2,1-3H3,(H,20,21)/b19-17+	C18H23NO3	301.38	4	1	58.89	2	5	1	0.728999999999999	4.40067	3	5.903	60.9034	92.4168000000001	2.4455	305.819952669851
Cond-011027	NSC680509	680509	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.5693316612361	C1CN(CCC1(CCNC(=O)c1ccccc1)N)C(=O)c1ccccc1.Cl	InChI=1S/C21H25N3O2.ClH/c22-21(11-14-23-19(25)17-7-3-1-4-8-17)12-15-24(16-13-21)20(26)18-9-5-2-6-10-18;/h1-10H,11-16,22H2,(H,23,25);1H	C21H26ClN3O2	387.903	5	3	75.43	3	7	0	-3.1336	2.40859	3.22	4.963	44.2795	104.9116	2.8145	342.381824160824
Cond-011028	NSC680516	680516	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	74.9012086603929	c1cnc2c(c1)cc(cc2)/N=N/c1c(cc(cc1)N(C)C)C	InChI=1S/C18H18N4/c1-13-11-16(22(2)3)7-9-17(13)21-20-15-6-8-18-14(12-15)5-4-10-19-18/h4-12H,1-3H3/b21-20+	C18H18N4	290.362	4	0	40.85	3	3	1	0.8598	4.59431	3	5.41	19.7935	92.2240000000001	2.3312	270.373718389468
Cond-011029	NSC68075	68075	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.970494462843	C([C@@H]1N(CCc2cc(c(cc12)OC)OC)C)c1c(Oc2c(cc3c4c(c(cc5CCN([C@H](c45)Cc3c2)C)OC)OC)OC)cc(c(c1)OC)OC	InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1	C41H48N2O8	696.828	10	0	80.32	7	11	1	0.272699999999998	6.46748	4.87	4.842	104.8737	197.036999999999	5.27850000000001	648.274447066955
Cond-011030	NSC68093	68093	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	79.5899804084798	[Zn]12([O]=n3c(S2)cccc3)[O]=n2c(S1)cccc2	InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2	C10H8N2O2S2Zn	317.693	4	0	73.96	4	0	0	NA	0.6082	1.79	NA	NA	48.914	1.3176	NA
Cond-011031	NSC68093	68093	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	5.96680716388613	[Zn]12([O]=n3c(S2)cccc3)[O]=n2c(S1)cccc2	InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2	C10H8N2O2S2Zn	317.693	4	0	73.96	4	0	0	NA	0.6082	1.79	NA	NA	48.914	1.3176	NA
Cond-011032	NSC681730	681730	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.410222959251	c1ccc(cc1)C(C#N)NCc1cc(ccc1)CNC(c1ccccc1)C#N	InChI=1S/C24H22N4/c25-15-23(21-10-3-1-4-11-21)27-17-19-8-7-9-20(14-19)18-28-24(16-26)22-12-5-2-6-13-22/h1-14,23-24,27-28H,17-18H2	C24H22N4	366.458	4	2	71.64	3	8	1	-1.0624	3.10057	3.66	6.621	35.0672	108.1634	3.0046	363.603791341469
Cond-011033	NSC681741	681741	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9806787226218	C(C#N)(N(CCc1ccccc1)C(=O)c1ccccc1)(c1ccccc1)CC	InChI=1S/C25H24N2O/c1-2-25(20-26,23-16-10-5-11-17-23)27(19-18-21-12-6-3-7-13-21)24(28)22-14-8-4-9-15-22/h3-17H,2,18-19H2,1H3	C25H24N2O	368.471	3	0	44.1	3	8	1	-0.8545	4.92569	3.88	9.258	33.9174	112.3885	3.0476	370.332940952363
Cond-011034	NSC681744	681744	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	N(CCCCCCN(C(c1ccccc1)C#N)C(=O)c1ccccc1)(C(=O)c1ccccc1)C(C#N)c1ccccc1	InChI=1S/C36H34N4O2/c37-27-33(29-17-7-3-8-18-29)39(35(41)31-21-11-5-12-22-31)25-15-1-2-16-26-40(36(42)32-23-13-6-14-24-32)34(28-38)30-19-9-4-10-20-30/h3-14,17-24,33-34H,1-2,15-16,25-26H2	C36H34N4O2	554.681	6	0	88.2	4	15	2	-2.6432	6.74537000000001	4.76	11.426	54.9966	162.979	4.48920000000001	552.297308048191
Cond-011035	NSC682769	682769	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	73.1874880734683	c12c(c3c(CC(=O)N2)c(cc(n3)c2ccccc2)c2ccc(c(c2)OC)OC)cccc1	InChI=1S/C27H22N2O3/c1-31-24-13-12-18(14-25(24)32-2)20-15-23(17-8-4-3-5-9-17)29-27-19-10-6-7-11-22(19)28-26(30)16-21(20)27/h3-15H,16H2,1-2H3,(H,28,30)	C27H22N2O3	422.475	5	1	60.45	5	4	1	-0.7036	6.97877000000001	3.88	6.573	26.6223	133.1617	3.1866	384.255987502819
Cond-011036	NSC682769	682769	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	54.4960534037996	c12c(c3c(CC(=O)N2)c(cc(n3)c2ccccc2)c2ccc(c(c2)OC)OC)cccc1	InChI=1S/C27H22N2O3/c1-31-24-13-12-18(14-25(24)32-2)20-15-23(17-8-4-3-5-9-17)29-27-19-10-6-7-11-22(19)28-26(30)16-21(20)27/h3-15H,16H2,1-2H3,(H,28,30)	C27H22N2O3	422.475	5	1	60.45	5	4	1	-0.7036	6.97877000000001	3.88	6.573	26.6223	133.1617	3.1866	384.255987502819
Cond-011037	NSC682864	682864	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.886988101113	c12CCC3=C(c1cccc2)NC(N=C3c1ccc(cc1)Cl)N	InChI=1S/C18H16ClN3/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)22-18(20)21-16/h1-6,8-9,18,22H,7,10,20H2	C18H16ClN3	309.793	3	3	50.41	4	1	1	0.1741	3.04708	3	5.038	40.4537	90.5361	2.2882	275.768025951734
Cond-011038	NSC683792	683792	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.0101013351067	c1c(cc2c(c1)cc(cc2)CN1CCC(CC1)C1CCN(CC1)Cc1ccc2c(c1)ccc(c2)OC)OC.Cl	InChI=1S/C34H40N2O2.ClH/c1-37-33-9-7-29-19-25(3-5-31(29)21-33)23-35-15-11-27(12-16-35)28-13-17-36(18-14-28)24-26-4-6-32-22-34(38-2)10-8-30(32)20-26;/h3-10,19-22,27-28H,11-18,23-24H2,1-2H3;1H	C34H41ClN2O2	545.155	4	0	24.94	6	7	1	-1.7718	6.95619000000001	4.76	7.962	65.9528	157.551	4.1346	492.090570584925
Cond-011039	NSC684480	684480	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.9625515497486	c12c(c3c(CC(=O)N1)c(cc(n3)c1cccc(c1)Cl)c1ccccc1)cccc2	InChI=1S/C25H17ClN2O/c26-18-10-6-9-17(13-18)23-14-20(16-7-2-1-3-8-16)21-15-24(29)27-22-12-5-4-11-19(22)25(21)28-23/h1-14H,15H2,(H,27,29)	C25H17ClN2O	396.868	3	1	41.99	5	2	1	0.1443	7.61497	3.77	8.19	17.6063	125.0677	2.9098	347.294632620396
Cond-011040	NSC684845	684845	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.9375024612175	C(Nc1ccc(cc1)F)(C(F)(F)F)(C(=O)OCC)NC(=O)OCC	InChI=1S/C14H16F4N2O4/c1-3-23-11(21)13(14(16,17)18,20-12(22)24-4-2)19-10-7-5-9(15)6-8-10/h5-8,19H,3-4H2,1-2H3,(H,20,22)	C14H16F4N2O4	352.281	6	2	76.66	1	10	0	1.7077	3.00348	1.9	4.116	47.9732	78.6964	2.2628	295.686153877937
Cond-011041	NSC686349	686349	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	C1(=C(Sc2c(ssc2=O)C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC	InChI=1S/C16H12O9S5/c1-22-11(17)5-6(12(18)23-2)26-9-10(29-30-15(9)21)16(5)27-7(13(19)24-3)8(28-16)14(20)25-4/h1-4H3	C16H12O9S5	508.586	9	0	248.77	3	8	0	1.8681	2.21286	1.68	0.817	120.5374	117.268	3.039	398.788327598918
Cond-011042	NSC687330	687330	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	C12C(C(OC1CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)n1c2c(c(ncn2)N)nc1)N	InChI=1S/C22H40N6O4Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)17(23)22(30-16)28-11-27-18-20(24)25-10-26-21(18)28/h10-17,19,22H,9,23H2,1-8H3,(H2,24,25,26)	C22H40N6O4Si2	508.762	10	4	132.56	4	5	0	0.0636000000000037	5.44296000000001	2.56	3.184	93.1076	133.0198	3.927	479.455607165914
Cond-011043	NSC687667	687667	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	78.9863569652134	c1ccc2c(c1)CCC/C(=C\c1ccc(cc1)OC)/C2=O	InChI=1S/C19H18O2/c1-21-17-11-9-14(10-12-17)13-16-7-4-6-15-5-2-3-8-18(15)19(16)20/h2-3,5,8-13H,4,6-7H2,1H3/b16-13+	C19H18O2	278.345	2	0	26.3	3	2	1	-0.206600000000001	4.08348	3.33	6.041	34.4027	86.641	2.2333	274.79957428459
Cond-011044	NSC687849	687849	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	56.3819322370228	Clc1ccc(/C=C/2\CN(C/C(=C\c3ccc(Cl)cc3)/C2=O)C(=O)C=C)cc1	InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+	C22H17Cl2NO2	398.282	3	0	37.38	3	4	1	1.7584	4.85236	3.33	5.622	61.7122	111.491	2.8716	360.197047808824
Cond-011045	NSC687849	687849	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	6.33835761127102	Clc1ccc(/C=C/2\CN(C/C(=C\c3ccc(Cl)cc3)/C2=O)C(=O)C=C)cc1	InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+	C22H17Cl2NO2	398.282	3	0	37.38	3	4	1	1.7584	4.85236	3.33	5.622	61.7122	111.491	2.8716	360.197047808824
Cond-011046	NSC688363	688363	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.156555229628	C(N(CCN(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)CC(C)C)Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(c(c1)C(=O)NC)OC)CC#N	InChI=1S/C38H48N8O6/c1-26(2)23-31(35(48)41-4)43-36(49)32(24-27-13-8-6-9-14-27)44-38(51)46(29-15-10-7-11-16-29)22-21-45(20-12-19-39)37(50)42-28-17-18-33(52-5)30(25-28)34(47)40-3/h6-11,13-18,25-26,31-32H,12,20-24H2,1-5H3,(H,40,47)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t31-,32-/m0/s1	C38H48N8O6	712.838	14	5	185	3	24	3	-2.326	5.60096000000001	4.1	5.979	116.0339	203.157999999999	5.59960000000001	694.566601037232
Cond-011047	NSC688795	688795	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.5099292058684	c1(cc(c2c(c1)oc(=O)cc2C)OC)OC	InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3	C12H12O4	220.221	4	0	44.76	2	2	0	0.612799999999999	2.57807	2.34	1.669	35.4488	63.074	1.602	202.473970107845
Cond-011048	NSC689228	689228	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.183579793412	[C@H]1(CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)/C=C/C(CCCCC)OCOCCOC	InChI=1S/C23H44O5Si/c1-8-9-10-11-21(27-18-26-15-14-25-5)13-12-19-16-20(24)17-22(19)28-29(6,7)23(2,3)4/h12-13,19,21-22H,8-11,14-18H2,1-7H3/b13-12+/t19-,21?,22-/m1/s1	C23H44O5Si	428.678	5	0	53.99	1	15	1	1.2566	6.12027000000001	3.33	4.934	108.7976	121.113	3.6939	468.194706621742
Cond-011049	NSC689857	689857	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	88.0489791777359	c1cc(cc(c1O)CNc1ccc(cc1)C(=O)OCC12CC3CC(CC(C1)C3)C2)O	InChI=1S/C25H29NO4/c27-22-5-6-23(28)20(10-22)14-26-21-3-1-19(2-4-21)24(29)30-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18,26-28H,7-9,11-15H2	C25H29NO4	407.502	5	3	78.79	2	7	1	-1.5462	5.13729000000001	3.66	5.747	64.0342	119.3785	3.1217	385.07623694828
Cond-011050	NSC689857	689857	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	51.4470176838959	c1cc(cc(c1O)CNc1ccc(cc1)C(=O)OCC12CC3CC(CC(C1)C3)C2)O	InChI=1S/C25H29NO4/c27-22-5-6-23(28)20(10-22)14-26-21-3-1-19(2-4-21)24(29)30-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18,26-28H,7-9,11-15H2	C25H29NO4	407.502	5	3	78.79	2	7	1	-1.5462	5.13729000000001	3.66	5.747	64.0342	119.3785	3.1217	385.07623694828
Cond-011051	NSC689872	689872	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.0267520241859	c1c(cc2c(c1)c(c1c(n2)ccc(c1)OC)NNc1ccccc1)N(=O)=O	InChI=1S/C20H16N4O3/c1-27-15-8-10-18-17(12-15)20(23-22-13-5-3-2-4-6-13)16-9-7-14(24(25)26)11-19(16)21-18/h2-12,22H,1H3,(H,21,23)	C20H16N4O3	360.366	7	2	89.32	4	5	1	-0.2325	6.16997	2.89	6.34	17.8058	110.4094	2.5945	302.806991640485
Cond-011052	NSC690634	690634	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	NA	c12c(nc3c(c1NCCCNc1c4c(nc5c1c(ccc5)N(=O)=O)cccc4)c(ccc3)N(=O)=O)cccc2	InChI=1S/C29H22N6O4/c36-34(37)24-14-5-12-22-26(24)28(18-8-1-3-10-20(18)32-22)30-16-7-17-31-29-19-9-2-4-11-21(19)33-23-13-6-15-25(27(23)29)35(38)39/h1-6,8-15H,7,16-17H2,(H,30,32)(H,31,33)	C29H22N6O4	518.523	10	2	136.12	6	8	1	0.2146	8.51026	3.55	7.532	26.716	160.5844	3.68870000000001	429.55938948458
Cond-011053	NSC69187	69187	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	15.9147782752617	n1ccc2c(c3[nH]c4c(c3c(c2c1)C)cc(cc4)OC)C	InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3	C18H16N2O	276.332	3	1	37.91	4	1	0	0.811800000000001	3.91194	3.11	3.283	21.62	86.677	2.1247	236.550424673695
Cond-011054	NSC69187	69187	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	95.586748282183	n1ccc2c(c3[nH]c4c(c3c(c2c1)C)cc(cc4)OC)C	InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3	C18H16N2O	276.332	3	1	37.91	4	1	0	0.811800000000001	3.91194	3.11	3.283	21.62	86.677	2.1247	236.550424673695
Cond-011055	NSC693053	693053	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.81456281159	c1c([nH]c(c1)c1cc(no1)C)C(=O)OCC	InChI=1S/C11H12N2O3/c1-3-15-11(14)9-5-4-8(12-9)10-6-7(2)13-16-10/h4-6,12H,3H2,1-2H3	C11H12N2O3	220.225	5	1	68.12	2	4	0	0.1266	1.86921	2.12	2.199	26.9338	61.531	1.602	187.48127919775
Cond-011056	NSC693172	693172	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	65.551989619077	c1cc(ccc1C[N+](C)(C)CCCCCCCCCCCCCCCC)F.[Cl-]	InChI=1S/C25H45FN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(2,3)23-24-18-20-25(26)21-19-24;/h18-21H,4-17,22-23H2,1-3H3;1H/q+1;/p-1	C25H45ClFN	414.083	1	0	0	1	17	2	-4.7171	7.20499000000001	3.99	10.284	68.3514	118.7704	3.53249999999999	428.172787953143
Cond-011057	NSC693172	693172	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	53.2935439052944	c1cc(ccc1C[N+](C)(C)CCCCCCCCCCCCCCCC)F.[Cl-]	InChI=1S/C25H45FN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(2,3)23-24-18-20-25(26)21-19-24;/h18-21H,4-17,22-23H2,1-3H3;1H/q+1;/p-1	C25H45ClFN	414.083	1	0	0	1	17	2	-4.7171	7.20499000000001	3.99	10.284	68.3514	118.7704	3.53249999999999	428.172787953143
Cond-011058	NSC693632	693632	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	18.3040943627909	n1cnc(cc1)/C(=N/Nc1sc2c(n1)cccc2)/C	InChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+	C13H11N5S	269.325	5	1	91.3	3	3	0	0.0745	3.63047	2.23	3.592	23.121	80.3827	1.933	216.036038226701
Cond-011059	NSC695218	695218	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.271521213509	O1CCCC1C(=O)N(OC)C	InChI=1S/C7H13NO3/c1-8(10-2)7(9)6-4-3-5-11-6/h6H,3-5H2,1-2H3	C7H13NO3	159.183	4	0	38.77	1	3	0	-1.4599	0.41909	1.79	-0.148	35.9313	41.996	1.2192	152.002873990117
Cond-011060	NSC697443	697443	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	47.616458344106	C1C(C(=O)/C(=C/c2ccc(cc2)OC(=O)/C=C/c2ccccc2)/CC1)CN(C)C.Cl	InChI=1S/C25H27NO3.ClH/c1-26(2)18-22-10-6-9-21(25(22)28)17-20-11-14-23(15-12-20)29-24(27)16-13-19-7-4-3-5-8-19;/h3-5,7-8,11-17,22H,6,9-10,18H2,1-2H3;1H/b16-13+,21-17+;	C25H28ClNO3	425.948	4	0	46.61	3	7	1	0.393099999999998	4.98886000000001	3.77	7.153	65.8337	119.612	3.1512	393.089551546919
Cond-011061	NSC697468	697468	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.514676338456	C1(OC(C(C(C1NC(=O)C)OC(C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2c(nc3c1c(ccc3)N(=O)=O)cccc2)C(=O)N)C(C)C)C)O)CO)OCc1ccccc1	InChI=1S/C45H58N8O12/c1-25(2)37(52-43(59)26(3)64-41-39(49-27(4)55)45(65-34(23-54)40(41)57)63-24-28-13-6-5-7-14-28)44(60)51-32(42(46)58)19-20-35(56)47-21-10-11-22-48-38-29-15-8-9-16-30(29)50-31-17-12-18-33(36(31)38)53(61)62/h5-9,12-18,25-26,32,34,37,39-41,45,54,57H,10-11,19-24H2,1-4H3,(H2,46,58)(H,47,56)(H,48,50)(H,49,55)(H,51,60)(H,52,59)	C45H58N8O12	902.988	20	9	295.7	5	27	3	-5.0066	2.82757000000001	4.21	3.865	138.8452	244.3335	6.72090000000002	832.766936220065
Cond-011062	NSC697726	697726	0.05-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	77.7923604648697	C1(=C(C(=O)C(=C(C1=O)N1CC1)CO)N1CC1)C	InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3	C12H14N2O3	234.251	5	1	60.39	3	3	0	-0.610699999999999	-0.62393	2.23	0.174	64.9681	62.6748	1.6773	216.857263823617
Cond-011063	NSC697726	697726	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.06060595025652	C1(=C(C(=O)C(=C(C1=O)N1CC1)CO)N1CC1)C	InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3	C12H14N2O3	234.251	5	1	60.39	3	3	0	-0.610699999999999	-0.62393	2.23	0.174	64.9681	62.6748	1.6773	216.857263823617
Cond-011064	NSC697923	697923	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	75.2070286206425	o1c(ccc1N(=O)=O)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3	C11H9NO5S	267.258	6	0	98.8	2	3	0	0.7228	2.90949	1.9	2.999	19.6528	61.738	1.7401	209.937537747506
Cond-011065	NSC697923	697923	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	5.33138394222184	o1c(ccc1N(=O)=O)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3	C11H9NO5S	267.258	6	0	98.8	2	3	0	0.7228	2.90949	1.9	2.999	19.6528	61.738	1.7401	209.937537747506
Cond-011066	NSC698031	698031	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	99.2774222015	c1(nc(nnc1C)n1c(cc(=O)n(c1=S)c1ccccc1)O)/C=C/c1ccc(cc1)N(C)C	InChI=1S/C24H22N6O2S/c1-16-20(14-11-17-9-12-18(13-10-17)28(2)3)25-23(27-26-16)30-22(32)15-21(31)29(24(30)33)19-7-5-4-6-8-19/h4-15,32H,1-3H3/b14-11+	C24H22N6O2S	458.535	8	1	117.78	4	5	1	1.5271	5.05607	3.11	6.717	63.7796	136.1548	3.3765	409.330330515724
Cond-011067	NSC69852	69852	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.6977661701705	NCCCNCCCCNCCCN.Cl	InChI=1S/C10H26N4.ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;/h13-14H,1-12H2;1H	C10H27ClN4	238.801	4	6	76.1	0	11	1	-3.423	-0.3566	2.12	-0.682	54.9638	62.3162	1.9168	225.503345792134
Cond-011068	NSC699479	699479	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	NA	c1ccc2c(c1)/c(=C/c1ccc(cc1)N(C)C)/c1n2[n+](c(c1)c1ccc(cc1)Cl)C.S(=O)(=O)([O-])C(F)(F)F	InChI=1S/C26H23ClN3.CHF3O3S/c1-28(2)21-14-8-18(9-15-21)16-23-22-6-4-5-7-24(22)30-26(23)17-25(29(30)3)19-10-12-20(27)13-11-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1	C27H23ClF3N3O3S	562.003	3	0	11.53	5	3	1	-0.0940999999999996	6.57178	3.88	7.176	37.6002	127.848	3.1563	370.751838805069
Cond-011069	NSC700582	700582	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.1964549540552	s1sc2c(n(c(=S)n2CCCC)CCCC)c2c(ss1)n(c(=S)n2CCCC)CCCC	InChI=1S/C22H36N4S6/c1-5-9-13-23-17-18-20(26(16-12-8-4)22(28)24(18)14-10-6-2)30-32-31-29-19(17)25(21(23)27)15-11-7-3/h5-16H2,1-4H3	C22H36N4S6	548.938	4	0	178.34	3	12	2	0.913400000000005	7.87378000000001	2.78	9.416	148.1516	155.528	4.0908	496.494094742536
Cond-011070	NSC703550	703550	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	c1cc(ccc1C)C(=O)N/N=C(\N=N\c1ccc(cc1)C)/c1ccc(cc1C)N(CCC#N)CCC#N	InChI=1S/C29H29N7O/c1-21-6-10-24(11-7-21)29(37)35-34-28(33-32-25-12-8-22(2)9-13-25)27-15-14-26(20-23(27)3)36(18-4-16-30)19-5-17-31/h6-15,20H,4-5,18-19H2,1-3H3,(H,35,37)/b33-32+,34-28-	C29H29N7O	491.587	8	1	117	3	11	2	0.989999999999999	5.77091000000001	3.77	8.715	66.4644	144.1952	3.9382	483.954845693464
Cond-011071	NSC70422	70422	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.111953017535	C1(C(C(C(O1)n1cnc2c1ncnc2N)O)O)CO	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)	C10H13N5O4	267.241	9	5	139.54	3	2	0	-2.2791	-1.45601	1.57	-1.809	34.5164	64.3148	1.7536	202.245801896945
Cond-011072	NSC705330	705330	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.3076495472387	O=C(N(C(C)(C)C)Cc1cc2c(cc1)OCO2)/C=C\S(=O)c1ccccc1	InChI=1S/C21H23NO4S/c1-21(2,3)22(14-16-9-10-18-19(13-16)26-15-25-18)20(23)11-12-27(24)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b12-11-	C21H23NO4S	385.477	5	0	75.05	3	7	0	-0.5734	4.48406	3.11	3.621	57.7767	104.9235	2.8958	356.477781203213
Cond-011073	NSC70845	70845	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	50.6126893411161	O1[C@@H]2Oc3c([C@]1([C@@H]([C@H]([C@@H]2O)N(C)C)O)C)cc(c1c3C(=O)c2cc3[C@H]([C@@](C[C@H](OC4OC(C(C(C4OC)(OC)C)OC)C)c3c(c2C1=O)O)(C)O)C(=O)OC)O	InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14?,19-,24-,25-,29-,31+,32?,33?,35-,36?,37-,38-,39?/m0/s1	C39H49NO16	787.803	17	5	229.44	7	8	1	-2.83430000000001	2.04108000000001	3.88	-1.417	146.4375	199.7054	5.49550000000001	702.716907313943
Cond-011074	NSC70929	70929	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.4319213376808	O1C(c2c(c3C(=O)c4c5oc(C6(OC6C6OC6C)C)cc(=O)c5c(cc4C(=O)c3c(c2)C2OC(C(C(C2)N(C)C)O)C)C)O)CC(C(C1C)O)(N(C)C)C	InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3	C41H50N2O11	746.843	13	3	171.13	8	6	1	-2.0242	3.46470000000001	4.54	0.897	150.5929	199.306599999999	5.43200000000001	689.361585869437
Cond-011075	NSC71300	71300	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.2249591659	O=c1cc(oc2c1c(c(c(c2OC)OC)OC)OC)c1c(ccc(c1)OC)OC	InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3	C21H22O8	402.395	8	0	81.68	3	7	0	-0.814400000000001	3.64087	2.89	1.792	60.4311	109.152	2.8673	362.132903739691
Cond-011076	NSC71669	71669	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	6.4367964027665	c1cc(cc(c1)C(F)(F)F)Cc1c(c2cccc(c2)C(F)(F)F)c(N)nc(N)n1	InChI=1S/C19H14F6N4/c20-18(21,22)12-5-1-3-10(7-12)8-14-15(16(26)29-17(27)28-14)11-4-2-6-13(9-11)19(23,24)25/h1-7,9H,8H2,(H4,26,27,28,29)	C19H14F6N4	412.332	4	4	77.82	3	5	1	1.0176	4.98009	2.45	7.147	26.068	96.1998	2.5783	324.075056117173
Cond-011077	NSC71669	71669	1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.6610491243187	c1cc(cc(c1)C(F)(F)F)Cc1c(c2cccc(c2)C(F)(F)F)c(N)nc(N)n1	InChI=1S/C19H14F6N4/c20-18(21,22)12-5-1-3-10(7-12)8-14-15(16(26)29-17(27)28-14)11-4-2-6-13(9-11)19(23,24)25/h1-7,9H,8H2,(H4,26,27,28,29)	C19H14F6N4	412.332	4	4	77.82	3	5	1	1.0176	4.98009	2.45	7.147	26.068	96.1998	2.5783	324.075056117173
Cond-011078	NSC71851	71851	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.8277053482311	n1c([nH]c2n(C3OC(C(C3)O)CO)cnc2c1=S)N	InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)	C10H13N5O3S	283.307	8	5	150.01	3	2	0	-1.6466	-0.63882	1.57	-1.285	51.1755	73.1767	1.8584	222.864599253984
Cond-011079	NSC71948	71948	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.203752433052	S(=O)(=O)(O)c1c2c([n+](c(s2)c2cc3c(cc2)[n+](c(s3)c2ccc(cc2)N(C)C)C)C)ccc1C.S(=O)(=O)(O)c1c2c([n+](c(s2)c2cc3c(cc2)[n+](c(s3)c2cc3c(cc2)[n+](c(s3)c2ccc(cc2)N(C)C)C)C)C)ccc1C	InChI=1S/C33H30N4O3S4.C25H24N3O3S3/c1-19-7-14-26-29(30(19)44(38,39)40)43-33(37(26)6)22-11-16-25-28(18-22)42-32(36(25)5)21-10-15-24-27(17-21)41-31(35(24)4)20-8-12-23(13-9-20)34(2)3;1-15-6-12-20-22(23(15)34(29,30)31)33-25(28(20)5)17-9-13-19-21(14-17)32-24(27(19)4)16-7-10-18(11-8-16)26(2)3/h7-18H,1-6H3;6-14H,1-5H3/q+2;+1/p+2	C58H56N7O6S7+++++	1171.56	7	1	162.35	7	5	1	-1.9347	8.77865	3.88	6.186	71.1835	177.9418	4.6469	525.330365152752
Cond-011080	NSC7210	7210	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	93.5264877703707	O=C1c2c(cccc2C(=O)c2c1c(ccc2)O)O	InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	C14H8O4	240.211	4	2	74.6	3	0	0	-1.4482	1.84159	2.56	1.304	15.8212	66.1001	1.6462	205.900104556378
Cond-011081	NSC72961	72961	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.665176275805	n1c(c2nnn(c2nc1)C1OC(C(C1O)O)CO)N	InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)	C9H12N6O4	268.229	10	5	152.43	3	2	0	-2.2791	-2.06101	1.35	-2.208	34.5164	62.1098	1.7125	195.946577479245
Cond-011082	NSC73413	73413	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	105.468976956599	N(=N\c1c(cc(c2c1ccc(c2)N(=O)=O)S(=O)(=O)O)O)/c1c(ccc2ccccc12)O.[Na+]	InChI=1S/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/b22-21+;	C20H13N3NaO7S+	462.388	10	3	171.07	4	4	0	-0.802	6.37388	2.45	4.555	19.9386	115.7124	2.85	342.843703591362
Cond-011083	NSC73495	73495	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.244880501671	CCCCCCCCCCCCOS(=O)(=O)O.Cc1ccc2c(C)c3CC4C(C(=C(C(=O)C4(C(=O)c3c(c2c1O)O)O)C(=O)C)O)N	InChI=1S/C22H21NO7.C12H26O4S/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h4-5,12,16,25-27,30H,6,23H2,1-3H3;2-12H2,1H3,(H,13,14,15)	C34H47NO11S	677.802	8	6	158.15	4	1	0	-2.2394	1.71492	3	1.384	68.3448	112.6935	2.8977	366.642504471563
Cond-011084	NSC7364	7364	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	91.6520053612717	c1cc(c2c(nc(nc2C)N)N)cc(c1Cl)Cl	InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)	C11H10Cl2N4	269.13	4	4	77.82	2	1	0	0.4283	3.55631	2.01	2.057	25.4079	73.1848	1.8273	210.889796352467
Cond-011085	NSC740	740	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	96.5733514729767	n1c2nc(nc(c2nc(c1)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	C20H22N8O5	454.439	13	7	210.54	3	10	1	-2.8974	1.37836	2.23	-2.583	54.4148	123.8716	3.2197	387.630944575074
Cond-011086	NSC74420	74420	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.1285549558126	Clc1ccc(/C(=N\NC(=N)N)/C2CC2)cc1.Cl	InChI=1S/C11H13ClN4.ClH/c12-9-5-3-8(4-6-9)10(7-1-2-7)15-16-11(13)14;/h3-7H,1-2H2,(H4,13,14,16);1H/b15-10-;	C11H14Cl2N4	273.162	4	4	74.26	2	4	0	0.535700000000001	1.83228	2.12	3.372	35.9436	68.0638	1.7479	209.215187282834
Cond-011087	NSC749	749	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.079471778129	n1c(=O)c2[nH]nnc2[nH]c1N	InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)	C4H4N6O	152.114	7	4	109.05	2	0	0	-1.6596	-1.33063	1.13	0.054	19.2412	40.4701	0.940500000000001	106.352432949028
Cond-011088	NSC750	750	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.645163470545	S(=O)(=O)(OCCCCOS(=O)(=O)C)C	InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3	C6H14O6S2	246.302	6	0	103.5	0	7	0	-1.1338	1.1136	1.24	-1.232	46.6246	44.0095	1.6332	202.091774774567
Cond-011089	NSC7521	7521	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.569252698157	O1C(O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](c6ccc(=O)oc6)CC[C@@]5([C@@H]4CCC3=C2)O)C)C)C(C(C(C1C)O)O)O	InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16?,19-,20+,21-,22+,24?,25?,26?,27?,28-,29+,30-/m0/s1	C30H42O8	530.65	8	4	125.68	6	3	0	-1.21470000000001	2.90236000000001	3.88	2.721	137.5548	139.6292	3.9816	513.073224073292
Cond-011090	NSC7522	7522	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	78.3042827123975	O1C(O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](C6=CC(=O)OC6)CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C)C=O)CC(C(C1C)O)OC	InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17?,19-,20+,21-,22+,23?,25?,26?,27+,28-,29-,30-/m0/s1	C30H44O9	548.665	9	3	131.75	6	5	0	-1.92170000000001	2.59338000000001	3.77	1.832	135.0061	141.1704	4.0833	524.499909474652
Cond-011091	NSC7525	7525	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	O1C(C(C(C(C1OC1C(C(OC(C1O)C)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@H](c5ccc(=O)oc5)CC[C@@]4([C@@H]3CCC2=C1)O)C)C)O)O)O)O)CO	InChI=1S/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17?,20-,21+,22-,23+,24?,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,36-/m0/s1	C36H52O13	692.79	13	7	204.83	7	6	2	-2.9616	0.726560000000006	3.99	0.755	169.9681	172.2626	5.01190000000001	648.443806630494
Cond-011092	NSC7530	7530	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	NA	C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)OC1CC(C(C(O1)C)OC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)OC	InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3/t19?,21-,22+,23-,24+,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39+,40-,41-,42-/m0/s1	C42H64O19	872.946	19	9	290.05	8	11	3	-5.4155	-1.75822	3.99	-0.813000000000001	199.8327	206.4372	6.14390000000002	795.241074589059
Cond-011093	NSC7532	7532	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.274389934175	OC12C3C(C4(C)C(CC3)CC(CC4)OC3CC(O)C(C(O3)C)OC3CC(O)C(C(O3)C)OC3CC(OC(=O)C)C(C(O3)C)OC3OC(CO)C(C(C3O)O)O)CCC1(C)C(CC2)C1=CC(=O)OC1	InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3	C49H76O19	969.116	19	7	268.05	9	12	3	-4.4729	1.80238000000001	4.76	2.618	224.9317	236.374599999999	7.02160000000003	903.956508269324
Cond-011094	NSC755	755	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.642384577287	n1c(=S)c2[nH]cnc2[nH]c1	InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4S	152.177	4	2	85.16	2	0	0	-0.8365	0.86748	1.46	-0.416	26.0834	44.9167	0.9866	111.3736945156
Cond-011095	NSC757	757	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	94.8613922880238	O=c1c(ccc2c3c(c(c(cc3CC[C@@H](c2c1)NC(=O)C)OC)OC)OC)OC	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	C22H25NO6	399.437	7	1	83.09	3	6	0	-0.9132	2.48966	3.11	1.283	86.4182	109.8237	2.9906	383.745195172602
Cond-011096	NSC76027	76027	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.921291871471	N(=N\c1ccc(cc1)C(=O)Nc1ccc(cc1)Sc1ccc(cc1)/N=N/c1c2c(cc(c1O)S(=O)(=O)O)cc(cc2)S(=O)(=O)O)/c1c2c(c(S(=O)(=O)O)cc(c2)S(=O)(=O)O)ccc1O	InChI=1S/C39H27N5O15S5/c45-33-16-15-31-32(19-29(62(51,52)53)20-34(31)63(54,55)56)36(33)43-41-24-3-1-21(2-4-24)39(47)40-23-5-9-26(10-6-23)60-27-11-7-25(8-12-27)42-44-37-30-14-13-28(61(48,49)50)17-22(30)18-35(38(37)46)64(57,58)59/h1-20,45-46H,(H,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/b43-41+,44-42+	C39H27N5O15S5	965.981	20	7	395.3	7	13	4	-3.1308	12.74545	3	6.439	64.0418	230.9615	6.09450000000001	741.68487862365
Cond-011097	NSC76455	76455	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	74.5221110784594	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cond-011098	NSC76747	76747	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.5214700073609	[nH]1c2ccccc2c(c1C)/C=C\1/c2c(N=C1C)cccc2	InChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11-	C19H16N2	272.344	2	1	28.15	4	1	1	0.1956	4.4266	3.33	5.469	30.1585	89.721	2.1639	253.319723898201
Cond-011099	NSC77021	77021	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.409641248325	O=C1C=C[C@@]2([C@@]3(F)[C@H](C[C@@]4([C@](CC[C@H]4[C@@H]3C[C@H](F)C2=C1)(C(=O)CO)O)C)O)C	InChI=1S/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1	C21H26F2O5	396.425	5	3	94.83	4	2	0	-0.261700000000001	1.68397	3	0.77	96.2032	98.3794000000001	2.79	367.88671744102
Cond-011100	NSC7833	7833	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.708608769611	c1(ccc(c2c1C(=O)c1ccccc1C2=O)N)N	InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2	C14H10N2O2	238.241	4	4	86.18	3	0	0	-2.0274	2.70308	2.56	1.592	19.1362	72.0113	1.7284	210.313171571589
Cond-011101	NSC78365	78365	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	96.5259470681799	c1c(ccc(c1)NC(=N)Nc1ccc(cc1)Cl)OCCCC	InChI=1S/C17H20ClN3O/c1-2-3-12-22-16-10-8-15(9-11-16)21-17(19)20-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H3,19,20,21)	C17H20ClN3O	317.813	4	3	57.14	2	8	1	-0.392399999999999	6.17527	2.78	5.946	34.8685	95.2411	2.4662	294.611644128829
Cond-011102	NSC79451	79451	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.0944424067879	c1(ccc(cc1NC(=O)c1cccc(c1O)N(=O)=O)N(=O)=O)C	InChI=1S/C14H11N3O6/c1-8-5-6-9(16(20)21)7-11(8)15-14(19)10-3-2-4-12(13(10)18)17(22)23/h2-7,18H,1H3,(H,15,19)	C14H11N3O6	317.254	9	2	135.61	2	5	0	0.867100000000001	2.83011	2.01	4.365	23.2882	86.7285	2.1286	266.190838582001
Cond-011103	NSC79456	79456	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	88.0701746911858	c1cc(cc(c1NC(=O)c1cccc(c1O)N(=O)=O)C)C	InChI=1S/C15H14N2O4/c1-9-6-7-12(10(2)8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)	C15H14N2O4	286.283	6	2	92.47	2	4	1	0.849	3.09093	2.45	5.012	24.9003	81.8405	2.0953	257.546068299378
Cond-011104	NSC79688	79688	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	89.0349032791817	o1c2cc(ccc2c(cc1=O)CC(=O)N/N=C/c1c(cc(cc1)N(CCCl)CCCl)C)O	InChI=1S/C23H23Cl2N3O4/c1-15-10-18(28(8-6-24)9-7-25)3-2-16(15)14-26-27-22(30)11-17-12-23(31)32-21-13-19(29)4-5-20(17)21/h2-5,10,12-14,29H,6-9,11H2,1H3,(H,27,30)/b26-14+	C23H23Cl2N3O4	476.352	7	2	91.23	3	10	1	1.1701	4.05139	3	5.122	75.9015	131.1305	3.3725	419.703464952947
Cond-011105	NSC80087	80087	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	103.352880704712	c1(ccc(cc1)/C=C/1\C=Cc2c1cccc2)N(C)C	InChI=1S/C18H17N/c1-19(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)16/h3-13H,1-2H3/b16-13+	C18H17N	247.334	1	0	3.24	3	2	1	0.957799999999999	3.84568	3.33	7.382	33.7085	81.2	2.0748	250.919896465767
Cond-011106	NSC80396	80396	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	21.1306050491216	s1c2ccccc2c(c1)C(=O)CC(=O)C(F)(F)F	InChI=1S/C12H7F3O2S/c13-12(14,15)11(17)5-9(16)8-6-18-10-4-2-1-3-7(8)10/h1-4,6H,5H2	C12H7F3O2S	272.243	2	0	62.38	2	4	0	1.1959	3.03148	2.12	3.609	29.4693	61.408	1.6582	208.068758614442
Cond-011107	NSC80756	80756	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.0374040725508	n1c2ccccc2c(cc1)/C=C\c1cc(c(cc1OC)OC)OC	InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8-	C20H19NO3	321.37	4	0	40.58	3	5	0	0.3124	4.54458	3.22	4.803	32.266	95.956	2.4897	298.346087118385
Cond-011108	NSC82025	82025	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	97.741043302259	c1c(c(c(cc1)N(=O)=O)O)C(=O)Nc1ccc(cc1N(=O)=O)C	InChI=1S/C14H11N3O6/c1-8-5-6-10(12(7-8)17(22)23)15-14(19)9-3-2-4-11(13(9)18)16(20)21/h2-7,18H,1H3,(H,15,19)	C14H11N3O6	317.254	9	2	135.61	2	5	1	0.867100000000001	2.7754	2.01	5.434	23.2882	86.4625	2.1286	266.190838582001
Cond-011109	NSC82116	82116	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.422997982001	N(=C\C(=N/NC(=S)N)\C(OCC)C)/NC(=S)N	InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)/b11-4+,12-6+	C8H16N6OS2	276.382	7	6	174.23	0	8	0	1.0563	-0.68271	1.35	1.32	70.839	77.6722	2.0483	248.167336969295
Cond-011110	NSC83265	83265	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7971611309326	C(SCC(N)C(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1	InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)	C22H21NO2S	363.473	3	3	88.62	3	7	1	-0.8295	3.55099	3.44	6.294	29.5729	107.8762	2.8333	340.020395026358
Cond-011111	NSC84074	84074	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.8490886498489	[Br-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCBr	InChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1	C21H21Br2P	464.173	0	0	0	3	6	1	0.4382	4.40389	3.55	9.697	21.1011	104.689	2.7558	318.703733170368
Cond-011112	NSC85236	85236	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.124144763659	O=C1C=C[C@H]2[C@@H](C[C@H]3OC(=O)C(=C)[C@H]3[C@@H]([C@]12C)O)C	InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1	C15H18O4	262.301	4	1	63.6	3	0	0	0.1812	1.33257	2.67	0.551	67.8609	70.7448	1.9591	255.541923985445
Cond-011113	NSC85561	85561	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	102.57537198101	N(=N\c1c(cc(c2c1cccc2N(=O)=O)S(=O)(=O)O)O)/c1ccc2ccccc2c1O.[Na+]	InChI=1S/C20H13N3O7S.Na/c24-16-10-17(31(28,29)30)18-13(6-3-7-15(18)23(26)27)19(16)22-21-14-9-8-11-4-1-2-5-12(11)20(14)25;/h1-10,24-25H,(H,28,29,30);/q;+1/b22-21+;	C20H13N3NaO7S+	462.388	10	3	171.07	4	4	0	-0.802	6.37388	2.45	4.555	19.9386	115.7124	2.85	342.843703591362
Cond-011114	NSC85700	85700	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.809557674519	c1cc(c2c(c1O)nccc2)/C=C/c1[n+](c2c(cc1)cc(cc2)C)C.[I-]	InChI=1S/C22H18N2O.HI/c1-15-5-11-20-17(14-15)7-10-18(24(20)2)9-6-16-8-12-21(25)22-19(16)4-3-13-23-22;/h3-14H,1-2H3;1H	C22H19IN2O	454.304	3	1	37	4	2	1	-0.692099999999999	5.39579	3.55	5.82	24.082	104.908	2.5808	299.143216425163
Cond-011115	NSC85998	85998	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.886606445971	C([C@H]([C@H]([C@@H]([C@@H](NC(=O)N(C)N=O)C=O)O)O)O)O	InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1	C8H15N3O7	265.221	10	5	159.76	0	9	0	-2.4582	-3.5624	1.24	-3.47	56.5774	55.8149	1.8171	233.536827133761
Cond-011116	NSC86100	86100	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.009776793133	N1=Cc2c(c(c3[nH]c4c(c3c2)cccc4)C)CC1	InChI=1S/C16H14N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-5,8-9,18H,6-7H2,1H3	C16H14N2	234.296	2	1	28.15	4	0	0	0.2304	3.19981	3	3.675	25.3303	78.164	1.8272	206.704687422201
Cond-011117	NSC87206	87206	0.5-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	87.547970792561	n1ccc2c(c3[nH]c4c(c3cc2c1)cccc4)C	InChI=1S/C16H12N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-9,18H,1H3	C16H12N2	232.28	2	1	28.68	4	0	0	0.2216	3.87532	3	3.615	8.8021	76.485	1.7842	193.168228721401
Cond-011118	NSC87206	87206	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	11.5053766244451	n1ccc2c(c3[nH]c4c(c3cc2c1)cccc4)C	InChI=1S/C16H12N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-9,18H,1H3	C16H12N2	232.28	2	1	28.68	4	0	0	0.2216	3.87532	3	3.615	8.8021	76.485	1.7842	193.168228721401
Cond-011119	NSC89303	89303	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.6854256424778	O=c1cccccc1O	InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)	C7H6O2	122.121	2	1	37.3	1	0	0	0.4698	1.13586	2.01	0.989	37.8322	36.4318	0.931700000000001	124.306510978989
Cond-011120	NSC89671	89671	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.614036293768	[C@H]1(/C=C/C(=O)O[C@H](CCC/C=C/[C@H]2[C@H]1C[C@H](C2)O)C)O	InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1	C16H24O4	280.359	4	2	66.76	2	0	0	-0.704100000000001	2.04867	2.78	2.363	72.8596	78.6156	2.2516	287.830826012912
Cond-011121	NSC90487	90487	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4506188222167	[C@H]1(CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C)C(=C)C	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1	C30H50O	426.717	1	1	20.23	5	1	1	3.2313	7.95099000000001	4.65	11.901	130.0375	130.3798	3.8083	471.807471972565
Cond-011122	NSC90636	90636	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.980203380725	[nH]1c2[C@](C[C@@H]3[C@H]4O[C@]4(CN(CCc2c2ccccc12)C3)CC)(c1cc2[C@]34[C@H]5N(CC=C[C@]5([C@H]([C@]([C@@H]3N(c2cc1OC)C)(O)C(=O)OC)OC(=O)C)CC)CC4)C(=O)OC.S(=O)(=O)(O)O	InChI=1S/C46H56N4O9.H2O4S/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t27-,36+,37-,38+,39+,42+,43-,44+,45-,46-;/m0./s1	C46H58N4O13S	907.037	13	2	146.4	10	10	1	-1.762	4.94056000000001	5.09	3.999	160.4436	224.729799999999	5.95850000000002	742.005199911582
Cond-011123	NSC90829	90829	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	65.767972933284	N1(CCC2(CCC(CC2)C(C)(C)C)CC1)CCCN1CCOCC1.Cl	InChI=1S/C21H40N2O.ClH/c1-20(2,3)19-5-7-21(8-6-19)9-13-22(14-10-21)11-4-12-23-15-17-24-18-16-23;/h19H,4-18H2,1-3H3;1H	C21H41ClN2O	373.016	3	0	15.71	3	5	1	1.7046	4.0272	3.44	5.41	100.1124	101.396	3	365.486506858497
Cond-011124	NSC92510	92510	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	25.3589306305234	Clc1nc(Cl)c(c(n1)Cl)CCCCCCCCC	InChI=1S/C13H19Cl3N2/c1-2-3-4-5-6-7-8-9-10-11(14)17-13(16)18-12(10)15/h2-9H2,1H3	C13H19Cl3N2	309.662	2	0	25.78	1	8	1	-0.5353	5.7299	2.34	6.611	49.3418	78.759	2.2695	269.8651477615
Cond-011125	NSC93135	93135	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.4706496534544	CN1CCc2cc(c3cc2C1Cc1ccc(c(c1)Oc1ccc(cc1)CC1c2c(cc(c(c2O3)OC)OC)CCN1C)O)OC	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3	C37H40N2O6	608.723	8	1	72.86	6	3	1	-0.1345	7.60408	4.65	5.579	79.7942	178.045999999999	4.59750000000001	561.510055162368
Cond-011126	NSC93419	93419	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.27321532324	O(c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1)C(=O)C(C(C2OC1OC(C(C(C1OC)O)O)C)OC)(O)C)O)O)C	InChI=1S/C28H30O13/c1-9-18(30)22(34)24(38-4)27(40-9)41-23-17-13(25(35)28(2,36)26(23)39-5)8-12-16(21(17)33)20(32)15-11(19(12)31)6-10(37-3)7-14(15)29/h6-9,18,22-24,26-27,29-30,33-34,36H,1-5H3	C28H30O13	574.53	13	5	198.51	5	5	0	-3.5208	0.435990000000003	3.11	-1.694	91.5457	141.2822	3.88690000000001	499.806553521164
Cond-011127	NSC93739	93739	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	TRUE	66.8400908978658	C(=C\1/C=CC(=N)C=C1)(/c1ccc(cc1)N)\c1cc(c(cc1)N)C.Cl	InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H/b20-14-,21-17?;	C20H20ClN3	337.846	3	5	75.89	3	2	0	-0.1646	4.65678	3.33	4.283	48.9148	97.9435	2.4702	302.232468732235
Cond-011128	NSC95580	95580	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.791391881698	C(=O)(C)NCCCCCCNC(=O)C	InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)	C10H20N2O2	200.278	4	2	58.2	0	9	0	-2.3786	1.05289	2.12	0.642	46.8026	59.0784	1.7486	215.817361375322
Cond-011129	NSC95678	95678	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	99.7748326066764	n1c(c(ccc1)O)/C=N/NC(=S)N	InChI=1S/C7H8N4OS/c8-7(13)11-10-4-5-6(12)2-1-3-9-5/h1-4,12H,(H3,8,11,13)/b10-4+	C7H8N4OS	196.23	5	4	115.62	1	3	0	-0.2231	0.32489	1.57	1.093	28.0491	55.8361	1.3927	164.475890467895
Cond-011130	NSC95848	95848	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.5731023482255	O1C(c2ccccc2)(C(C(=O)c2c1cccc2)(OC)O)OC	InChI=1S/C17H16O5/c1-20-16(19)15(18)13-10-6-7-11-14(13)22-17(16,21-2)12-8-4-3-5-9-12/h3-11,19H,1-2H3	C17H16O5	300.306	5	1	64.99	3	3	0	-0.9418	1.72339	2.78	3.87	28.7625	80.7318	2.1706	269.21474383534
Cond-011131	NSC96932	96932	0.1-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	92.6013622927521	[I-].s1c2ccccc2n(/c/1=C/C(=C/c1[n+](c2c(s1)cccc2)CC)/C)CC	InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1	C22H23IN2S2	506.466	2	0	60.66	4	4	1	1.8472	7.02937000000001	3.44	7.173	61.426	116.658	2.9351	343.543955241402
Cond-011132	NSC96932	96932	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	53.740760723016	[I-].s1c2ccccc2n(/c/1=C/C(=C/c1[n+](c2c(s1)cccc2)CC)/C)CC	InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1	C22H23IN2S2	506.466	2	0	60.66	4	4	1	1.8472	7.02937000000001	3.44	7.173	61.426	116.658	2.9351	343.543955241402
Cond-011133	NSC9706	9706	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	95.25904190224	N1(CC1)c1nc(N2CC2)nc(n1)N1CC1	InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2	C9H12N6	204.232	6	0	47.7	4	3	0	0.109199999999999	0.54717	1.79	-0.345	36.9672	59.589	1.4121	161.965670677
Cond-011134	NSC97338	97338	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.4609407355724	C1CN([C@@H]2c3c(c(c(cc13)OC)OC)Oc1cc3[C@H](N(CCc3cc1OC)C)Cc1ccc(cc1)Oc1c(ccc(C2)c1)OC)C	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1	C38H42N2O6	622.75	8	0	61.86	6	4	1	0.273999999999999	7.53649	4.76	6.098	84.5454	180.513999999999	4.7384	578.806039788234
Cond-011135	NSC97703	97703	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	61.0721283990188	O1C(c2cccc3ccccc23)(c2ccccc2C1=O)C	InChI=1S/C19H14O2/c1-19(17-11-5-4-10-15(17)18(20)21-19)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3	C19H14O2	274.313	2	0	26.3	4	1	1	0.0635	3.723	3.33	7.493	14.3272	83.836	2.0817	248.906656882989
Cond-011136	NSC97911	97911	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.718724114037	O(c1ccc(cc1)/C(=N\NC(=N)N)/C)c1ccc(cc1)C(=O)C.N(=O)(=O)O	InChI=1S/C17H18N4O2.HNO3/c1-11(20-21-17(18)19)13-3-7-15(8-4-13)23-16-9-5-14(6-10-16)12(2)22;2-1(3)4/h3-10H,1-2H3,(H4,18,19,21);(H,2,3,4)/b20-11-;	C17H19N5O5	373.363	6	4	100.56	2	6	0	-0.9732	3.35775	2.67	4.46	35.6167	95.3058	2.4163	293.914645865523
Cond-011137	NSC98447	98447	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	FALSE	FALSE	97.4503285103967	c1(ccc(cc1)C=C(C#N)C#N)N(=O)=O	InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H	C10H5N3O2	199.166	5	0	90.72	1	2	0	1.0017	1.76786	2.01	2.485	25.3857	54.629	1.4388	185.102451977089
Cond-011138	NSC98542	98542	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.197723451494	n1c(c2cc(c(cc2cc1)OC)OC)Cc1c(cc(c(c1)OC)OC)C(=O)C	InChI=1S/C22H23NO5/c1-13(24)16-11-21(27-4)20(26-3)10-15(16)8-18-17-12-22(28-5)19(25-2)9-14(17)6-7-23-18/h6-7,9-12H,8H2,1-5H3	C22H23NO5	381.422	6	0	66.88	3	7	0	-0.139900000000001	4.30329	3.22	2.865	44.7882	110.511	2.8889	350.518509771241
Cond-011139	NSC9856	9856	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	101.494993498505	C(=C\CCCCCCCC(=O)O)\CCCCCCCC	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-	C18H34O2	282.461	2	1	37.3	0	15	2	-2.3427	6.26858000000001	3.22	8.192	68.917	90.0608000000001	2.6762	332.191717965924
Cond-011140	NSC98904	98904	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	103.112051497252	s1cc([n+]2c1c1ccccc1c1c2cccc1)c1ccccc1.[Cl](=O)(=O)(=O)[O-]	InChI=1S/C21H14NS.ClHO4/c1-2-8-15(9-3-1)20-14-23-21-18-12-5-4-10-16(18)17-11-6-7-13-19(17)22(20)21;2-1(3,4)5/h1-14H;(H,2,3,4,5)/q+1;/p-1	C21H14ClNO4S	411.858	1	0	32.34	5	1	1	-0.8533	4.96619	3.55	8.525	7.7935	95.3630000000001	2.3363	257.312810247368
Cond-011141	NSC99016	99016	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	100.426756596277	c1ccc2c(c1)C13C4N(CCC3(C(N2)N(CC1)C)c1c(N4)cccc1)C	InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3	C22H26N4	346.469	4	2	30.54	6	0	0	-0.550599999999999	4.23678	3.44	4.24	53.7134	106.0414	2.698	321.297656892936
Cond-011142	NSC99027	99027	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	98.2013730393102	BrCc1cc2oc(=O)ccc2cc1	InChI=1S/C10H7BrO2/c11-6-7-1-2-8-3-4-10(12)13-9(8)5-7/h1-5H,6H2	C10H7BrO2	239.065	2	0	26.3	2	1	0	1.1704	2.72617	2.23	3.287	29.8465	57.228	1.3778	169.585166432556
Cond-011143	NSC99733	99733	10-uM	NCI-MECH-DIV	NCI-MECH-DIV	TRUE	TRUE	FALSE	104.364240103764	O=c1n(c(=O)c2ncn[nH]c2n1)C	InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)	C6H5N5O2	179.136	7	1	86.49	2	0	0	-2.0464	-1.74454	1.35	-1.096	40.5335	49.9627	1.1382	147.001409992356
Cond-011144	NSC105388	105388	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	69.5664349764173	C\1(=C/C=C/C=C/C=C/C=C/C(C(OC(=O)C(C(CC(CC(CC(CC(CC(C(C1O)O)O)O)O)O)O)O)C(O)CCCCC)C)O)/C	InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+	C35H58O12	670.828	12	10	228.6	1	5	2	-5.0972	0.723640000000011	3.99	2.402	166.813	178.549	5.37790000000002	691.223430107266
Cond-011145	NSC106399	106399	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	26.5641036984113	O=C1C(=C[C@H]2[C@@]3(C(=O)C[C@@]4([C@@H]([C@@](C)(O)C(=O)/C=C/C(OC(=O)C)(C)C)[C@@H](C[C@]4([C@@H]3CC=C2C1(C)C)C)O)C)C)O	InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1	C32H44O8	556.687	8	3	138.2	4	6	0	1.1668	4.20266000000001	4.1	3.404	152.7002	150.2874	4.3516	564.468734624224
Cond-011146	NSC114344	114344	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	76.1025664509824	O=c1c(c(c2coc([C@@H](C)CC)c(c2c1)C)O)C(=O)O	InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1	C15H16O5	276.285	5	2	83.83	2	3	0	-0.6678	2.56505	2.56	2.463	73.5259	73.8666	2.0404	271.415691985206
Cond-011147	NSC11440	11440	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	98.7319354853772	O1c2c(OC1)cc1C(=O)Cc3ccc4OCOc4c3CN(CCc1c2)C.Cl	InChI=1S/C20H19NO5.ClH/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17;/h2-3,7-8H,4-6,9-11H2,1H3;1H	C20H20ClNO5	389.829	6	0	57.23	5	0	0	-0.440100000000001	3.74327	3	1.86	47.3103	101.917	2.4759	307.386540519507
Cond-011148	NSC118343	118343	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	61.9953390001004	C(=C\c1oc(=O)c2C(=O)[C@H]([C@@H](Oc2c1)C)O)/C	InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10-/m0/s1	C12H12O5	236.221	5	1	72.83	2	1	0	-0.3718	0.61846	2.23	1.25	62.5644	60.0088	1.6607	222.164196808406
Cond-011149	NSC11926	11926	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	20.8951044940291	O1COc2c1c1c(c(c2)C(=O)O)c(cc2c1cccc2OC)N(=O)=O	InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)	C17H11NO7	341.272	8	1	108.13	4	3	0	0.0657999999999999	3.66488	2.45	2.79	25.8972	94.6988	2.1932	269.262581342229
Cond-011150	NSC12097	12097	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	83.3379979641612	o1c2c(nc3ccc(cc13)O)ccc(=O)c2	InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H	C12H7NO3	213.189	4	1	58.89	3	0	0	-0.8151	1.86386	2.34	1.294	35.8724	61.5778	1.4485	187.05112751305
Cond-011151	NSC122023	122023	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	14.9370630521002	C(C)(C)C1C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C)C(C)C)C(C)C)C(C)C)C	InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)	C54H90N6O18	1111.32	24	6	332.4	1	9	3	-0.930599999999996	2.57719000000001	4.76	8.031	268.3791	284.671199999999	8.74800000000003	1122.7503072463
Cond-011152	NSC122224	122224	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	104.083915782332	O=C1NC(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)OCC(CC(=O)NC1C(C)C)C)CC(C)C)C)C(C)C)C(C)C)CC(C)C	InChI=1S/C33H58N4O8/c1-17(2)13-23-32(42)45-28(21(9)10)30(40)36-27(20(7)8)31(41)37(12)24(14-18(3)4)33(43)44-16-22(11)15-25(38)35-26(19(5)6)29(39)34-23/h17-24,26-28H,13-16H2,1-12H3,(H,34,39)(H,35,38)(H,36,40)	C33H58N4O8	638.836	12	3	160.21	1	7	2	0.150899999999996	3.05669000000001	3.77	5.801	162.6994	173.6371	5.26050000000001	665.457594885956
Cond-011153	NSC122750	122750	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	17.6689982040246	O=C1C2=CC(=O)C(=C1C[C@H](C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)OC)OC(=O)N)\C)C)O)OC)C)OC.*.*.*		C29H40N2O9	560.636	11	4	163.48	2	5	1	0.815799999999998	1.63734	3.44	1.021	148.8241	148.0519	4.3184	562.804527863519
Cond-011154	NSC122819	122819	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	89.240091623872	s1c([C@@H]2OC[C@@H]3O[C@@H](O[C@H]4[C@@H]5[C@@H]([C@H](c6cc(c(c(c6)OC)O)OC)c6cc7OCOc7cc46)C(=O)OC5)[C@H]([C@H]([C@H]3O2)O)O)ccc1	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21?,23+,24-,26?,27?,28+,29?,31+,32?/m0/s1	C32H32O13S	656.654	13	3	189.07	8	6	0	-2.3208	2.30098000000001	3.44	1.374	93.2767	155.5824	4.28820000000001	539.530139979829
Cond-011155	NSC129536	129536	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	108.65453429221	O1C(=O)C23C4(C1C1OC(=O)C(C1C(C)(C)O)C4(CC3O2)O)C	InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3	C15H18O7	310.299	7	2	105.59	5	1	0	-1.3068	-0.63331	2.34	-0.988	66.8982	71.5586	2.004	262.472604087128
Cond-011156	NSC131547	131547	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	42.9472200754281	c1(c(cc2c(c1)CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@@H]1c2c(CCN1)c1c(ccc(c1)O)[nH]2)OC)OC	InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1	C29H37N3O3	475.622	6	3	69.75	6	5	0	-1.284	4.77949000000001	3.99	3.914	79.8497	141.0827	3.7176	444.20701046672
Cond-011157	NSC13252	13252	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	92.1678328984744	Clc1c2[C@@]([C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C(=O)c2c(cc1)O)O)O)C(=O)N)O)N(C)C)(C)O.Cl	InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1	C22H24Cl2N2O8	515.341	10	7	181.62	4	2	1	-2.6217	0.18417	2.67	0.225999999999999	92.1198	116.4759	3.2216	415.177017851524
Cond-011158	NSC133100	133100	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	101.047495217777	O1[C@]2(Oc3c(c(c4c(c(cc(c4c3C2=O)O)NC(=O)/C(=C\C=C\[C@@H](C([C@H]([C@H]([C@H]([C@@H]([C@@H](C(/C=C/1)OC)C)OC(=O)C)C)O)C)O)C)/C)O)O)C)C.[Na+]	InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25?,29?,30+,33+,37-;/m0./s1	C37H47NNaO12+	720.758	13	6	201.31	3	3	1	-1.2672	5.04168000000001	4.1	1.979	143.7943	187.4782	5.21870000000001	664.760489960766
Cond-011159	NSC145118	145118	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	70.4566248454849	CC12C(NC(=O)C(=O)C)/C=C(/C)\C=C/C(O)C/C=C(\C=C/C(CC(C(C1=O)C)OC2=O)O)/C	InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8-,11-7-,14-6-,15-12-	C25H33NO7	459.532	8	3	130	1	3	0	0.932800000000001	1.65635	3.33	1.248	123.2489	123.9743	3.5806	467.679834451564
Cond-011160	NSC14975	14975	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	99.5710910856796	O1[C@]2([C@@H]([C@@H]([C@H]3[C@]4([C@H]2[C@]2([C@@H]([C@H](C=C([C@@H]2C[C@H]4OC(=O)[C@@H]3OC(=O)[C@](O)(C)CC)C)O)O)C)C1)C)O)O	InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1	C25H36O10	496.547	10	5	162.98	5	4	0	-2.1375	-0.199219999999998	3.11	0.166	117.2616	121.118	3.54610000000001	459.16667174668
Cond-011161	NSC150817	150817	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	6.14258133718523	O1C(=O)CC(CC(CC(CCC(C(CC2OC(C(C(C2)O)C(=O)O)CC(OC2OC(C(C(C2O)N)O)C)/C=C/C=C/C=C/C=C/CC/C=C/C=C/C(C(C(C1C)C)O)C)O)O)O)O)O.*		C47H75NO16	910.096	17	12	299.38	3	3	2	-4.7481	1.40673000000001	4.76	3.018	228.053	237.546399999999	7.10010000000003	914.947077824875
Cond-011162	NSC153858	153858	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	109.498625298536	O=C1O[C@H]2C[C@@](N1)([C@@H](/C=C/C=C(/Cc1cc(c(Cl)c(N(C(=O)C[C@H](OC(=O)[C@@H](N(C(=O)C)C)C)[C@@]3(O[C@H]3[C@@H]2C)C)C)c1)OC)\C)OC)O.*.*	InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1	C34H46ClN3O10	692.196	13	2	156.47	4	7	1	0.381699999999995	2.98477000000001	3.66	2.752	149.8817	178.9425	5.08660000000001	648.669588270411
Cond-011163	NSC157035	157035	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	16.5056449836273	[C@H]12[C@@H](CC/C(=C\CC[C@@]3([C@@H]1O3)C)/C)C(=C)C(=O)O2	InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15+/m0/s1	C15H20O3	248.317	3	0	38.83	3	0	0	1.7578	2.84827	2.78	2.449	67.2934	70.716	1.9434	249.388155985684
Cond-011164	NSC15780	15780	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	101.902102329478	O1C(C(C(C(C1OCC1OC(O[C@H](c2ccccc2)C#N)C(C(C1O)O)O)O)O)O)CO	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1	C20H27NO11	457.428	12	7	202.32	3	7	2	-4.0765	-3.38291	2.34	-0.639999999999999	76.9126	103.0216	3.13130000000001	401.013735526074
Cond-011165	NSC169627	169627	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	92.9319648100834	O1COC(=C2C1=C(C(=O)c1c2c(OC(=O)C)c(c(c1O)NC(=O)/C(=C/C=C\C(C(O)C(C1C(C(C(C(O1)O)C)O)C(=O)OC)C)C)/C)C)C)/C(=C/C(=O)C)/C	InChI=1S/C40H49NO14/c1-16(30(44)21(6)37-28(40(50)51-10)32(46)23(8)39(49)55-37)12-11-13-17(2)38(48)41-29-20(5)36(54-24(9)43)25-26(33(29)47)31(45)22(7)35-27(25)34(52-15-53-35)18(3)14-19(4)42/h11-14,16,21,23,28,30,32,37,39,44,46-47,49H,15H2,1-10H3,(H,41,48)/b12-11-,17-13+,18-14+	C40H49NO14	767.815	15	5	224.45	4	14	2	-0.159699999999999	4.13817000000001	4.21	2.253	176.512	200.3894	5.67280000000001	739.855979837887
Cond-011166	NSC176503	176503	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	86.6164971166841	O(C(=O)C=C(C)C)C1C2C(C(C(C3C1(C)C(=O)C=C3)C)O)OC(=O)C2C	InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3	C20H26O6	362.417	6	1	89.9	3	3	0	1.0165	1.90037	3	1.11	93.5533	95.4628	2.738	356.965841815102
Cond-011167	NSC177406	177406	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	12.7631439820837	O1C(C2OC(C(CC2)(O)CC)C)(CC(C1C(C(=O)C(C(C(CCc1ccc(c(c1C(=O)O)O)C)C)O)C)CC)C)CC	InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)	C34H54O8	590.788	8	4	133.52	3	13	2	-2.21600000000001	5.95551000000001	4.32	6.143	131.1189	166.3424	4.82800000000001	605.790079978357
Cond-011168	NSC177858	177858	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	101.678026653232	O=C1CCN2C(=O)C(N(C(=O)C3N(CCC3)C(=O)C(NC(=O)C(C(OC(=O)C(NC(=O)C2C1)c1ccccc1)C)NC(=O)c1ncccc1O)CC)C)Cc1ccccc1	InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)	C43H49N7O10	823.89	17	4	224.72	6	7	2	-6.1209	1.09679000000001	4.32	5.733	131.8031	215.903399999999	6.07030000000002	765.504835957443
Cond-011169	NSC180515	180515	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	55.2628897444994	O=C1CCCC(OC(=O)/C=C/1)C(=O)C	InChI=1S/C10H12O4/c1-7(11)9-4-2-3-8(12)5-6-10(13)14-9/h5-6,9H,2-4H2,1H3/b6-5+	C10H12O4	196.2	4	0	60.44	1	1	0	-1.0527	0.95648	2.12	0.253	46.2717	51.532	1.4718	193.774918257711
Cond-011170	NSC209870	209870	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	101.016986707653	O=C1C(C(C(C(OC(=O)C(C(OC2OC(C(C(C2)(O)C)O)C)C(C(C(CC1C)(O)C)O)C)C)CC)C)O)C	InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3	C28H50O10	546.691	10	5	162.98	2	3	0	-2.08540000000001	1.80019000000001	3.44	1.632	134.9537	141.951	4.33760000000001	550.76046042748
Cond-011171	NSC210236	210236	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	75.8669784506142	O=C1OC2CC(C1=C)C(C/C(=C\CC/C(=C/C(CC2C)O)/C)/C)O	InChI=1S/C20H30O4/c1-12-6-5-7-13(2)9-18(22)17-11-19(24-20(23)15(17)4)14(3)10-16(21)8-12/h7-8,14,16-19,21-22H,4-6,9-11H2,1-3H3/b12-8+,13-7-	C20H30O4	334.45	4	2	66.76	2	0	0	1.8963	3.31126	3.22	2.555	94.1672	96.7196000000001	2.7722	354.37830581558
Cond-011172	NSC22070	22070	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	46.5268081409554	CC12C(O1)CC/C(=C/C(C1C(C2)OC(=O)C1=C)OC(=O)C)/C	InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+	C17H22O5	306.354	5	0	65.13	3	2	0	0.826999999999996	2.38987	2.78	1.792	76.4154	81.653	2.2996	298.92411993774
Cond-011173	NSC221019	221019	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	6.62056340261035	O=C1O[C@H](COC)[C@@]2(C3=C([C@H]4[C@@](C[C@H]3OC(=O)C)(C)C(=O)CC4)C(=O)c3c2c1co3)C	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	C23H24O8	428.432	8	0	109.11	5	4	0	-0.152100000000002	2.43098	3.11	-0.375	90.9124	107.2565	2.9749	385.548414290624
Cond-011174	NSC226080	226080	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	20.8685043812617	[C@@H]1([C@@H](C[C@@H](CC1)C[C@H]([C@@H]1CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]2CC[C@H]([C@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)(O2)O)C)OC)\C)C)C)OC)O)\C)C)C)OC)O	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	C51H79NO13	914.172	14	3	195.43	4	6	1	-1.1466	6.11925000000001	5.53	4.321	237.1376	247.300399999999	7.33600000000003	942.767418825058
Cond-011175	NSC22842	22842	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	90.8811172705977	c1(ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O)O	InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H	C15H8O5	268.221	5	2	79.9	4	0	0	-1.1658	3.48727	2.56	1.952	13.04	78.0676	1.7372	208.729857182006
Cond-011176	NSC23969	23969	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	7.90675974476209	C1C(N(C(CC1)/C=C/C1C2C(OC(=O)C2CC2C1CCCC2)C)C)C	InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+	C22H35NO2	345.519	3	0	29.54	4	2	1	-1.5201	4.57948000000001	3.55	5.431	91.126	103.066	2.9052	362.946581874358
Cond-011177	NSC250429	250429	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	100.29492368013	C1CC2(C3C(C1)(C1(C(CC3O)C)OC3(CC1)CCOC3=O)COC2=O)C	InChI=1S/C20H28O6/c1-12-10-13(21)14-17(2)4-3-5-18(14,11-25-15(17)22)20(12)7-6-19(26-20)8-9-24-16(19)23/h12-14,21H,3-11H2,1-2H3	C20H28O6	364.433	6	1	82.06	5	0	0	-1.17309999999999	2.20549	3	1.562	86.1629	93.2278	2.6498	340.162300515902
Cond-011178	NSC250430	250430	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	13.4852024633354	c12c(OC(C=C1)(C)C)cc1c(c2OC)[C@@H]2Oc3c([C@@H]2CO1)ccc(c3CC=C(C)C)O	InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3/t18-,25+/m0/s1	C26H28O5	420.498	5	1	57.15	5	3	0	1.62	7.21616000000001	3.77	4.221	74.5945	127.402	3.1785	397.529229365741
Cond-011179	NSC255109	255109	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	23.5940196854348	O=C1C2=C(N)C(=O)C=C1NC(=O)/C(=C/C=C\C(OC)C(/C(=C/C(C(C(CC(C2)C)OC)O)C)/C)OC(=O)N)/C	InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+	C28H39N3O8	545.625	11	6	180.27	2	4	1	0.117699999999994	0.949640000000003	3.33	0.718	145.7304	145.2303	4.2186	547.715076745259
Cond-011180	NSC26258	26258	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	47.2634048485337	O1C[C@H]2Oc3c4C[C@@H](Oc4ccc3C(=O)[C@H]2c2c1cc(c(c2)OC)OC)C(=C)C	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1	C23H22O6	394.417	6	0	63.22	5	3	0	0.152699999999997	4.59946	3.33	2.076	59.2591	112.778	2.8145	354.431502188702
Cond-011181	NSC26271	26271	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	105.137525839795	O1CCCN[P@@]1(=O)N(CCCl)CCCl	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)	C7H15Cl2N2O2P	261.086	4	1	51.38	1	5	0	0.084099999999999	0.5422	1.46	0.835	55.7243	54.4052	1.7527	207.095255147389
Cond-011182	NSC263164	263164	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	96.3490270545362	n1c(c2ncn([C@@H]([C@@H](O)C)CCCCCC)c2nc1)N.Cl	InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m0./s1	C14H24ClN5O	313.826	6	3	89.85	2	7	0	-2.6352	3.11118	2.34	2.42	42.8359	81.2942	2.2497	257.415518999529
Cond-011183	NSC26326	26326	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	5.49184141618638	C1(=O)C(=O)C2=C(c3c1cccc3)OC(CC2)(C)C	InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3	C15H14O3	242.27	3	0	43.37	3	0	0	0.0557999999999986	2.53778	2.78	3.196	43.8225	69.057	1.8144	230.578779883284
Cond-011184	NSC267461	267461	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	6.15275096684538	c1ccc2c(c1O)C(=O)C1=C(C2=O)CC(OC1C)CC(=O)O	InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)	C16H14O6	302.279	6	2	100.9	3	2	0	-1.2575	1.87998	2.56	0.142	52.0825	77.9716000000001	2.0884	271.608985910034
Cond-011185	NSC270914	270914	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	94.9964386532539	O=C1C[C@@H]2[C@@]3([C@@H]([C@]4([C@H](C4)C)C(=O)C4=C3[C@@]2([C@@H]([C@@H]([C@H]4O)OC(=O)C)C1(C)C)C)OC(=O)C)O	InChI=1S/C24H30O8/c1-9-8-23(9)19(29)14-15(28)16(31-10(2)25)18-21(4,5)13(27)7-12-22(18,6)17(14)24(12,30)20(23)32-11(3)26/h9,12,15-16,18,20,28,30H,7-8H2,1-6H3/t9-,12-,15-,16+,18-,20+,22+,23+,24+/m0/s1	C24H30O8	446.49	8	2	127.2	5	4	0	-0.829300000000003	1.27228	3.22	-0.868999999999999	109.188	111.7766	3.2018	419.017316318091
Cond-011186	NSC284200	284200	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	91.579376408801	O(CC(CO)O)CCCCCCCCCCCCCCCCCC	InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3	C21H44O3	344.572	3	2	49.69	0	20	2	-5.647	5.61770000000001	3.44	7.955	76.7671	103.4576	3.2436	398.142815945686
Cond-011187	NSC284437	284437	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	86.0164741913542	O=C1C2C34C(C1)C(C(C4)(C)C)CCC3C(=O)OC2	InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3	C15H20O3	248.318	3	0	43.37	4	0	0	0.845300000000002	2.42479	2.78	2.664	65.0379	67.851	1.8778	239.668155985684
Cond-011188	NSC285116	285116	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	114.939493475485	N1=C2SCC1C(=O)NC(C(C(C)O)(C)O)c1scc(n1)C(=O)NC1c3nc(cs3)C3N=C(CCC3(NC(=O)C(NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(NC3C=Cc4c(cc(C(=O)OC1C)nc4C3O)C(C)O)C(C)C)C)c1scc(n1)C(=O)NC(C(=O)N/C/2=C\C)C(O)C)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N	InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-	C71H81N19O18S5	1648.84	37	18	701	10	13	3	-5.1356	-0.871379999999988	4.65	2.609	331.2293	412.047600000001	11.4638	1436.48420525782
Cond-011189	NSC287088	287088	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	94.1014960889238	CC12C34C5C6(CC1OC(=O)C6COC(O3)(C5=O)C1C(CCC4(C(=O)O2)O)C2(C)C(=CC1)CC=CC2=O)C	InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3	C28H30O9	510.532	9	1	125.43	8	0	0	-0.407200000000001	1.64327	3.55	0.685000000000001	124.7255	125.0248	3.4553	457.285646718919
Cond-011190	NSC292567	292567	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	7.60703755900883	CC1C2(OC(C1)(C)C1OC(CC1)(C)C1OC(CC1C)C1OC(CO)(O)C(CC1C)C)OC(CC1OC(C(C(=O)O)C)C(CC1)C)CC(C2C)OC	InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)	C40H68O11	724.961	11	3	142.37	6	9	1	-1.34440000000001	5.93949000000001	4.65	4.727	177.245	191.9794	5.69570000000002	720.313126536037
Cond-011191	NSC2952	2952	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	9.56643372597004	c1cc2c(cc1C(C)C)CC[C@@H]1[C@@]2(CCC[C@]1(C(=O)O)C)C	InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1	C20H28O2	300.435	2	1	37.3	3	2	1	0.9014	5.13879000000001	3.44	7.946	63.4716	92.5308000000001	2.5462	313.541393713657
Cond-011192	NSC29854	29854	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	103.757576875821	N12C(c3[nH]c4cc(ccc4c3CC1)OC)CC1C(C(C(CC1C2)OC(=O)CCc1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC	InChI=1S/C35H44N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h8-9,13-14,16,20,24,26,29,31,34,36H,7,10-12,15,17-18H2,1-6H3	C35H44N2O9	636.732	11	1	117.78	6	12	1	-0.766999999999998	4.30618000000001	4.1	3.133	112.6724	173.623	4.7294	584.454600815517
Cond-011193	NSC301683	301683	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	87.5419542528336	c1(c2c(ccc(=O)o2)ccc1OC(=O)C)OC(=O)C	InChI=1S/C13H10O6/c1-7(14)17-10-5-3-9-4-6-11(16)19-12(9)13(10)18-8(2)15/h3-6H,1-2H3	C13H10O6	262.215	6	0	78.9	2	4	0	0.107599999999999	2.02137	2.23	2.049	39.9674	67.971	1.7743	232.077490733234
Cond-011194	NSC302289	302289	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	81.9383720013225	C1C2C(C(=C)C(=O)O2)C=C2C1(CCCC2C)C	InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3	C15H20O2	232.318	2	0	26.3	3	0	0	1.1063	3.32687	2.89	3.443	65.0402	69.035	1.8847	240.597929285122
Cond-011195	NSC305222	305222	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	9.04098451299606	C1(=C)C(C2/C=C/CC(CC(/C=C/C(C32C(C1C)C(Cc1ccccc1)NC3=O)OC(=O)C)(O)C)C)O	InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+	C30H39NO5	493.634	6	3	95.86	4	4	1	-0.170100000000002	3.75056000000001	4.1	5.379	113.5134	141.0893	3.95050000000001	500.966386778175
Cond-011196	NSC3053	3053	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	8.85780882542227	c1cc(c2c(c1C)oc1c(c(=O)c(N)c(c1n2)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C)C)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-011197	NSC30552	30552	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	11.3659674370236	o1c2c(c(c(c(c2)O)OC)CC=C(C)C)c(=O)c2c(c(c(cc12)O)CC=C(C)C)O	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3	C24H26O6	410.46	6	3	96.22	3	5	0	1.9042	5.98845000000001	3.44	3.11	71.6893	120.8104	3.1296	393.803945515369
Cond-011198	NSC307981	307981	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	7.85111397483536	C1(C=Cc2c(O1)c(c1c(c2OC)c(c(c(=O)o1)c1ccc(cc1)O)O)CC=C(C)C)(C)C	InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(25(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3	C26H26O6	434.481	6	2	85.22	4	4	0	1.8911	5.62555000000001	3.66	4.875	77.4391	125.1726	3.2598	413.402997365502
Cond-011199	NSC31048	31048	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	103.263400180198	c1(cc(C2CC(=O)c3c(cc(cc3O)OC3C(C(C(C(O3)CO)O)O)OC3C(C(C(C(O3)C)O)O)O)O2)ccc1OC)O	InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3	C28H34O15	610.561	15	8	234.29	5	7	1	-4.86	-1.52931	2.89	-1.489	93.3703	142.9424	4.09030000000001	522.659924323886
Cond-011200	NSC31867	31867	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	7.79487182194702	O1C(=O)c2c(cc(cc2Oc2c1cc(cc2CCCCC)O)O)C(=O)CCCC	InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3	C23H26O6	398.449	6	2	93.06	3	8	1	-2.6698	6.49827000000001	3.33	5.687	54.156	115.4741	3.0317	379.144419590302
Cond-011201	NSC32192	32192	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	87.7482526530044	O1c2ccc3[C@@H](OC(=O)c3c2OC1)[C@H]1N(CCc2cc3OCOc3cc12)C	InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1	C20H17NO6	367.352	7	0	66.46	6	1	0	-0.414599999999999	2.92718	2.89	2.504	45.7904	98.215	2.426	303.820308519268
Cond-011202	NSC325014	325014	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	6.40699701233205	[C@@H]1([C@@H](CC(=C2C(=O)O[C@@]([C@@H]([C@H]12)NC(=O)[C@@H](N)C)(C(Cl)Cl)C)O)O)O	InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1	C14H20Cl2N2O6	383.224	8	6	142.11	2	4	0	-1.6406	-0.34852	1.9	-0.596	83.8757	88.3195	2.5316	323.234966119501
Cond-011203	NSC325319	325319	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	96.2066499661586	C1(=O)C[C@H]([C@@H](NC(=O)C(C(OC(=O)C(N(C(=O)C2N(C(=O)C(NC(=O)C(C(=O)C(O1)C(C)C)C)CC(C)C)CCC2)C)Cc1ccc(cc1)OC)C)NC(=O)C(N(C)C(=O)C1CCCN1C(=O)C(O)C)CC(C)C)[C@H](C)CC)O	InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33?,34?,35?,36?,39?,40?,41?,42?,43?,44-,46+,47?,49?/m1/s1	C57H89N7O15	1112.35	22	5	287.9	4	18	3	-5.573	2.55039000000001	5.31	5.308	251.3239	293.431699999999	8.72560000000003	1108.65850642718
Cond-011204	NSC32979	32979	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	98.1818165650788	c1(cc2CCN(C3c2c(c1OC)c1c(c(ccc1C3)OC)O)C)OC	InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3	C20H23NO4	341.401	5	1	51.16	4	3	0	-0.221000000000001	3.3027	3.11	1.718	50.534	98.769	2.5688	313.589231220546
Cond-011205	NSC32982	32982	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	19.6643352589849	c1(c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c1ccc(c(c1)OC)O)O)OC	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	C21H20O6	368.38	6	2	93.06	2	8	0	-0.794800000000001	3.23837	3.11	2.847	55.489	103.1356	2.7725	351.635991637768
Cond-011206	NSC330753	330753	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	97.5694098913807	[C@]12(C(C(=C([C@H](C1)O)C)[C@H](C(=O)[C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@H](OC2)C[C@@H]1O)OC(=O)C)C)OC(=O)C)(C)C)O	InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1	C31H38O11	586.627	11	3	165.89	5	7	1	-1.1309	1.54718	3.66	1.155	116.6795	147.4704	4.2352	547.650512698441
Cond-011207	NSC332598	332598	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	83.5452060692356	c1(nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@H](OC)[C@H](C)[C@H]1C[C@@H](O)[C@@]2([C@@H](O2)/C=C/[C@@H](C)[C@@H]2C[C@@H](CC(=O)O2)C[C@@H]2[C@H](O2)C(=O)O1)C)C	InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22-,24-,26+,27-,28-,29-,30+,32-,33+,35-/m1/s1	C35H47NO9	625.749	10	1	133.15	5	7	0	1.57249999999999	5.05467000000001	4.21	4.039	151.0417	167.2978	4.78120000000001	610.250758008951
Cond-011208	NSC332876	332876	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	45.3676396703901	CC1C(=O)CC2C(C)(C)CCCC2(C)C1(CCc1ccoc1)O	InChI=1S/C20H30O3/c1-14-16(21)12-17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3	C20H30O3	318.45	3	1	50.44	3	3	0	0.376799999999999	4.61869000000001	3.33	4.291	73.2226	93.2388000000001	2.6479	324.968079115018
Cond-011209	NSC333856	333856	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	92.4743250348259	O=C1C23C(C(O)C=C(C3)C=O)/C=C(/C)\C(OC3CC(N(=O)=O)(C)C(C(O3)C)NC(=O)OC)C/C=C(\C3C(/C(=C\1/C(=O)O2)/O)(C)C1C(C(OC2CC(OC4OC(C)C(CC4)OC4CC(O)C(C(O4)C)OC4OC(C)C(CC4)O)C(C(O2)C)OC(=O)C)C(CC1C)C)C=C3)/C	InChI=1S/C67H96N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23-24,29,32-38,41-54,56-60,72-75H,17-22,25-28H2,1-13H3,(H,68,78)/b30-14-,31-23-,61-55-	C67H96N2O24	1313.48	26	5	341.43	10	17	3	-2.1457	6.08424000000001	5.97	5.074	310.6781	328.9599	9.59830000000003	1247.78075714688
Cond-011210	NSC337783	337783	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	85.8944401508562	[C@@]1([C@H]2[C@@](C3=CC(=O)[C@]4(O[C@H]4[C@@]3(CC2)O)C(C)C)(CCC1)C)(C)C(=O)OC	InChI=1S/C21H30O5/c1-12(2)21-15(22)11-14-18(3)8-6-9-19(4,17(23)25-5)13(18)7-10-20(14,24)16(21)26-21/h11-13,16,24H,6-10H2,1-5H3/t13-,16+,18+,19-,20+,21-/m1/s1	C21H30O5	362.46	5	1	76.13	4	3	0	0.0126999999999965	2.95978	3.22	1.426	94.3841	98.2598000000001	2.7976	358.388058441208
Cond-011211	NSC338250	338250	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	95.1896672996356	O=C1C(=C[C@H]2[C@]3([C@@H]([C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@]4([C@@H]([C@]4(CO)C)[C@@H]3C=C(C[C@]12O)CO)OC(=O)C)C)O)C	InChI=1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29+,30-,32?,34-,35-,36-,37-,38-/m1/s1	C38H60O9	660.878	9	4	150.59	4	20	2	-5.1034	5.59177000000001	4.65	6.517	157.6793	180.6682	5.34170000000001	682.307786481583
Cond-011212	NSC339555	339555	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	110.973253802011	OC12C(OC(=O)/C=C/C=C/CCC)/C(=C/C(=O)OC)/CC(O1)CC(C(C)O)OC(=O)CC(O)CC1OC(CC3OC(/C=C/C2(C)C)C/C(=C\C(=O)OC)/C3)(O)C(C)(C)C(C1)OC(=O)C	InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+	C47H68O17	905.033	17	4	240.11	4	13	2	-0.361799999999999	4.14474000000001	4.76	3.524	224.7038	230.225199999999	6.86440000000002	895.11116821487
Cond-011213	NSC345647	345647	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	85.2740802393416	c1c(c(c2c(cc(c3c2cc2c(c3O)C(=O)C(C(O2)C)C)O)O)c2c(c1O)c(c1c(c2)OC(C(C1=O)C)C)O)O	InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3	C30H26O10	546.521	10	6	173.98	6	1	1	-3.0062	5.85097	3.66	-0.0919999999999999	66.6192	152.7917	3.75500000000001	465.962007868013
Cond-011214	NSC349438	349438	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	86.7995542391261	c1occc1C(=O)CCC(O)C	InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3	C9H12O3	168.19	3	1	50.44	1	4	0	-1.1305	1.59169	2.12	0.459	26.2871	46.9748	1.3152	159.425165632083
Cond-011215	NSC350085	350085	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	36.0012209465745	O1c2cc(ccc2[C@@H]2Oc3c([C@@H]2C1)ccc(c3)OC)O	InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1	C16H14O4	270.28	4	1	47.92	4	1	0	-1.1652	3.59549	2.78	2.314	24.0315	76.674	1.9054	233.408532508912
Cond-011216	NSC35611	35611	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	87.7482526530044	O1C(C(C(OC2OC(C(C(C2O)O)O)CO)C(OC2OC(C(C(C2O)O)O)C)C1OC1CC2=CCC3C4CC5N6CC(CCC6C(C5C4(CCC3C2(CC1)C)C)C)C)O)CO.Cl	InChI=1S/C45H73NO15.ClH/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42;/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3;1H	C45H74ClNO15	904.52	16	9	240.69	9	8	2	-4.21260000000001	0.0813900000000085	4.65	2.664	210.8063	214.645199999999	6.40900000000003	815.88134057338
Cond-011217	NSC361902	361902	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	80.5857836000402	C1CC2(C(C1=O)(CC1C(=C)C(=O)OC1CC2C)C)O	InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)19-11)7-14(3)12(16)4-5-15(8,14)18/h8,10-11,18H,2,4-7H2,1,3H3	C15H20O4	264.317	4	1	63.6	3	0	0	0.328099999999999	1.77448	2.67	0.578	66.4984	71.1788	2.0021	258.178382686245
Cond-011218	NSC36351	36351	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	77.4545443026186	N12C(c3cc4OCOc4cc3CC1)Cc1ccc(c(c1C2)OC)OC	InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3	C20H21NO4	339.385	5	0	40.16	5	2	0	-0.102299999999999	3.46369	3.11	2.475	47.1412	95.5240000000001	2.4602	301.232772519746
Cond-011219	NSC36398	36398	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	101.622380091015	c1(c(cc2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)O)O)O)O	InChI=1S/C15H12O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,14-19,21H/t14-,15+/m0/s1	C15H12O7	304.252	7	5	127.45	3	1	0	-2.9269	0.813590000000001	2.34	0.457	26.5088	75.493	2.0062	252.203227984728
Cond-011220	NSC369397	369397	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	16.953117781216	CC1C2C34C(OC1=O)OC(OO4)(CCC3C(CC2)C)C	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3	C15H22O5	282.332	5	0	53.99	3	0	0	0.801200000000003	2.62879	2.56	3.039	61.3526	71.29	2.0382	259.885068087606
Cond-011221	NSC375294	375294	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	47.5033050885968	CC12C3=C(CCC1C(C)(C)CCC2)C(=O)OC3	InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3	C15H22O2	234.334	2	0	26.3	3	0	0	1.2074	3.62628	2.89	4.264	66.3689	69.421	1.9277	243.234387985922
Cond-011222	NSC376248	376248	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	69.6328708253436	O(c1c2CCC(Oc2c2c(c1)oc1c3c2cc(oc3cc(=O)c1)c1ccccc1)c1ccccc1)C	InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3	C31H22O5	474.503	5	0	53.99	7	3	1	-1.1277	6.71063	4.32	8.02	65.3611	139.274	3.4078	432.577482888675
Cond-011223	NSC382796	382796	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	88.9657311983047	c1ccc2c(c1)C1(OC(=O)C(C1)N1C(=O)c3c(C1=O)cccc3)C1N2C(=O)C(N1C(=O)OCc1ccccc1)(C)C	InChI=1S/C31H25N3O7/c1-30(2)28(38)33-22-15-9-8-14-21(22)31(27(33)34(30)29(39)40-17-18-10-4-3-5-11-18)16-23(26(37)41-31)32-24(35)19-12-6-7-13-20(19)25(32)36/h3-15,23,27H,16-17H2,1-2H3	C31H25N3O7	551.546	10	0	113.53	7	5	1	-1.0167	3.09649	3.77	6.216	66.6443	145.388	3.8246	483.148216914297
Cond-011224	NSC400978	400978	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	42.5912743236366	O=C1C2=CC([C@@H](C2=C(C2([C@@]1(C)O)CC2)C)O)(C)C	InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1	C15H20O3	248.317	3	2	57.53	3	0	0	0.579799999999999	1.83017	2.78	0.335	70.3636	70.5716	1.9434	249.388155985684
Cond-011225	NSC401005	401005	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	6.80362052505229	C1=CC(=O)C2=C(C1=O)C1C3C4C2OC(=O)C4CC2CCC(C32)C(CO1)C	InChI=1S/C21H22O5/c1-8-7-25-19-16-12(22)4-5-13(23)17(16)20-15-11(21(24)26-20)6-9-2-3-10(8)14(9)18(15)19/h4-5,8-11,14-15,18-20H,2-3,6-7H2,1H3	C21H22O5	354.396	5	0	69.67	6	0	0	-1.2274	1.94587	3.22	1.697	88.8676	92.458	2.4944	328.402223638007
Cond-011226	NSC407286	407286	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	86.5554800964351	c1(=O)c2cc(c(c3c2c2c(c(c(cc2c(=O)o3)O)O)o1)O)O	InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	C14H6O8	302.193	8	4	133.52	4	0	0	-2.0234	2.25957	2.12	-0.0460000000000004	22.8418	76.4817	1.7724	228.704552657823
Cond-011227	NSC407306	407306	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	81.5824292803784	N12C(c3[nH]c4ccccc4c3CC1)CC1C(C(CCC1C2)O)C(=O)OC	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3	C21H26N2O3	354.443	5	2	65.56	5	2	0	-1.212	2.46318	3.22	2.857	62.4654	102.5988	2.6852	323.371749354019
Cond-011228	NSC42038	42038	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	87.2354304016705	O1C(=O)[C@H]([C@H]2[C@H]1C1=C(/C(=N/O)/C=C[C@@]1(CC2)C)C)C	InChI=1S/C15H19NO3/c1-8-10-4-6-15(3)7-5-11(16-18)9(2)12(15)13(10)19-14(8)17/h5,7-8,10,13,18H,4,6H2,1-3H3/b16-11+/t8-,10-,13-,15-/m0/s1	C15H19NO3	261.316	4	1	58.89	3	0	0	1.2952	2.76697	2.67	2.288	71.7912	73.6395	2.0002	257.74845749305
Cond-011229	NSC45383	45383	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	8.54079269676649	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-011230	NSC45923	45923	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	96.1025620049483	c1cc(=O)oc2c1cc1ccoc1c2OC	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	C12H8O4	216.19	4	0	48.67	3	1	0	0.0640999999999999	3.42636	2.34	1.69	25.4701	63.738	1.4504	176.581052706245
Cond-011231	NSC51001	51001	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	70.2191127894398	O=C1[C@@H](C[C@@H]([C@H](OC2OC(C(OC3OC(C(C(C3)(C)O)OC(=O)CC(C)C)C)C(C2O)N(C)C)C)[C@H]([C@@H](CC(=O)O[C@@H](C[C@@H]2OC2/C=C/1)C)OC(=O)C)OC)CC=O)C	InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24?,25?,27+,29?,30+,31-,34?,35?,36?,37?,38+,39+,40?,41?,42?/m1/s1	C42H67NO16	841.978	17	2	215.42	4	14	2	-1.7631	2.59288000000001	4.21	2.131	204.6371	211.345599999999	6.37300000000002	821.383613396342
Cond-011232	NSC5113	5113	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	10.666666703717	O1c2c(c3occ(c4ccc(c(c4)O)O)c(=O)c3c(c2CC=C(C)C)O)C=CC1(C)C	InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3	C25H24O6	420.454	6	3	96.22	4	3	0	0.737599999999997	5.14245000000001	3.55	3.848	73.5621	120.3784	3.1189	396.107012739635
Cond-011233	NSC5159	5159	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	95.3752908539967	Cc1ccc2c3c1c(=O)oc1c4c(cccc4OC4C(C(C(C(C)O4)O)O)OC4C(C(C(C(C)O4)O)OC)O)c(c(c31)c(=O)o2)O	InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3	C32H32O14	640.588	14	5	199.9	7	5	0	-2.5461	2.09090000000001	3.44	1.353	90.0363	161.8945	4.24900000000001	539.53134262279
Cond-011234	NSC526417	526417	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	19.3633688830856	CC1C(=O)N(C)C2CSC(C(C(=O)N(C)C(C(=O)OCC(C(=O)N1)NC(=O)c1cnc3ccccc3n1)C(C)C)N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c1cnc2ccccc2n1)SC	InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)	C51H64N12O12S2	1101.26	24	4	352.4	6	9	1	-3.40929999999999	1.41407000000001	4.21	3.883	200.4154	289.484299999999	8.01190000000002	994.645639419132
Cond-011235	NSC5366	5366	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	94.7226130409742	N1(CCc2cc3OCOc3c(c2[C@@H]1[C@H]1OC(=O)c2c1ccc(c2OC)OC)OC)C	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1	C22H23NO7	413.421	8	0	75.69	5	4	0	-0.267299999999999	3.27899	3	2.133	60.2657	112.014	2.8751	359.558963172363
Cond-011236	NSC56464	56464	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	102.18182456794	N1(C2[C@@]34[C@@H]5C[C@]6([C@H](OC(=O)c7ccccc7)[C@@H]5[C@]([C@H]([C@@H]6OC)O)([C@H]2[C@@H]([C@@H]4[C@@]([C@@H](C[C@@H]3OC)O)(C1)COC)OC)OC(=O)C)O)CC	InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1	C34H47NO11	645.737	12	3	153.45	7	11	2	-2.8287	-3.9608	3.88	-0.164	161.3809	109.7749	7.75270000000001	593.731685485007
Cond-011237	NSC58368	58368	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	24.7552458201166	N(C1CCCCC1)C1CCCCC1.CC1(C2C3(CO3)CCC(C2OC)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)C(O1)CC=C(C)C	InChI=1S/C26H34O7.C12H23N/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28);11-13H,1-10H2/b7-5+,8-6+,11-9+,12-10+;	C38H57NO7	639.862	7	1	97.89	3	11	1	2.1703	3.78024	3.55	3.479	125.1543	125.4988	3.5561	464.259058869264
Cond-011238	NSC60387	60387	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	6.57342675414389	N12[C@@H](Cc3c4cc(c(cc4c4c(c3C2)ccc(c4OC)OC)OC)OC)CCC1	InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1	C24H27NO4	393.475	5	0	40.16	5	4	0	-0.7348	4.70919	3.55	3.006	55.6721	116.103	2.9808	356.880252322413
Cond-011239	NSC614552	614552	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	95.5049360482102	C1([C@H](C([C@@H]2N(C1)CC[C@@H]2O)O)O)O	InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5?,6+,7+,8?/m0/s1	C8H15NO4	189.209	5	4	84.16	2	0	0	-2.3448	-2.4821	1.79	-1.792	42.4819	44.0052	1.3532	168.369085316545
Cond-011240	NSC62709	62709	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	80.3356633516297	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2c3=NC(N=c3c(c(c2cc1)O)OC)(C)C	InChI=1S/C28H27N5O7/c1-11-16(12-8-10-15(38-4)25(39-5)23(12)34)17(29)20(31-18(11)27(36)37)14-9-7-13-19(30-14)21-22(26(40-6)24(13)35)33-28(2,3)32-21/h7-10,34-35H,29H2,1-6H3,(H,36,37)	C28H27N5O7	545.543	12	5	181.97	5	6	0	-1.5123	4.63438000000001	3.22	-1.077	71.3243	153.1668	3.8617	469.70315955543
Cond-011241	NSC63701	63701	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	101.351983409179	n1c(c2c(cn(c2nc1)C1OC(C(C1O)O)CO)C#N)N	InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)	C12H13N5O4	291.263	9	5	150.44	3	2	0	-2.2444	-0.91312	1.79	-1.915	40.715	72.7528	1.9494	231.564853747078
Cond-011242	NSC637086	637086	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	93.7353818440399	CC(=O)CCCCn1c(=O)c2c(n(c1=O)C)ncn2C	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3	C13H18N4O3	278.307	7	0	75.51	2	5	0	-1.3169	1.56498	2.12	-0.104	55.0305	76.638	2.0834	254.966768865817
Cond-011243	NSC661755	661755	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	100.650872462769	c12c(c(cc(c1[C@@H](N[C@H](C2)C)C)O)O)c1cc(c(c2c1cc(cc2OC)C)O)c1cc(c2cc(cc(c2c1O)OC)C)c1c2c([C@H](C)N[C@H](C2)C)c(cc1O)O.CC(=O)O	InChI=1S/C46H48N2O8.C2H4O2/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52;1-2(3)4/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3;1H3,(H,3,4)/t21-,22-,23-,24-;/m0./s1	C48H52N2O10	816.934	10	8	163.9	8	5	2	-2.2938	10.04681	5.42	5.274	94.5406	230.934	5.70240000000002	690.052076692288
Cond-011244	NSC67574	67574	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	97.724942095963	N1([C@@H]2[C@@]3([C@H]4N(CC=C[C@]4([C@H]([C@]2(O)C(=O)OC)OC(=O)C)CC)CC3)c2cc([C@]3(C[C@H]4C[C@](CN(CCc5c3[nH]c3c5cccc3)C4)(CC)O)C(=O)OC)c(cc12)OC)C=O.S(=O)(=O)(O)O	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H58N4O14S	923.036	14	3	171.17	9	11	2	-2.7746	4.45076000000001	4.98	3.564	163.0558	226.832599999999	6.08280000000002	760.515426612143
Cond-011245	NSC71795	71795	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	17.0909095607741	n1ccc2c(c3[nH]c4c(c3c(c2c1)C)cccc4)C	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3	C17H14N2	246.306	2	1	28.68	4	0	0	0.8636	3.90334	3.11	3.938	14.3042	80.125	1.9251	210.464213347267
Cond-011246	NSC719655	719655	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	44.6557511976545	c12c(C[C@@H]3N([C@H]1C=C(C)C)C(=O)[C@H]1N(C3=O)CCC1)c1c(cc(cc1)OC)[nH]2	InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1	C22H25N3O3	379.452	6	1	65.64	5	2	0	-1.0522	2.68397	3.22	2.14	71.0458	109.764	2.8399	346.391576786452
Cond-011247	NSC72116	72116	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	100.009325556627	[nH]1c2c(CCN3[C@@H]2C[C@H]2[C@H](C3)CC[C@@H]([C@@H]2C(=O)OC)O)c2ccccc12	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17+,18-,19+/m0/s1	C21H26N2O3	354.443	5	2	65.56	5	2	0	-1.212	2.46318	3.22	2.857	62.4654	102.5988	2.6852	323.371749354019
Cond-011248	NSC7524	7524	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	100.932400051485	O1[C@]23C[C@]4([C@H]5[C@@]([C@@]([C@H]6N(C[C@H](CC6)C)C5)(O)C)([C@H](C[C@]4([C@@H]2CC[C@H]2[C@@]3(CC[C@@H]([C@@]12O)OC(=O)c1cc(c(cc1)OC)OC)C)O)O)O)O	InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1	C36H51NO11	673.79	12	6	178.61	8	5	1	-4.13189999999999	1.32439000000001	4.1	2.391	138.4217	172.0548	4.88570000000001	618.603654736738
Cond-011249	NSC757	757	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	102.582756812381	O=c1c(ccc2c3c(c(c(cc3CC[C@@H](c2c1)NC(=O)C)OC)OC)OC)OC	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	C22H25NO6	399.437	7	1	83.09	3	6	0	-0.9132	2.48966	3.11	1.283	86.4182	109.8237	2.9906	383.745195172602
Cond-011250	NSC76022	76022	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	91.0023328341181	o1c(=O)c2c(cc(c3oc(=O)c4c(c23)c1c(cc4)OC)OC)CCN(C)C.C(=O)(O)C	InChI=1S/C20H19NO6.C2H4O2/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18;1-2(3)4/h5-6,9H,7-8H2,1-4H3;1H3,(H,3,4)	C22H23NO8	429.42	7	0	74.3	4	5	0	0.199200000000001	3.55847	2.89	1.96	50.6704	105.1845	2.6002	325.896767220068
Cond-011251	NSC7668	7668	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	101.361308965806	[C@@H]([C@@H](CCCCCCCC(=O)O)O)(CCCCCCO)O	InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14?,15-/m0/s1	C16H32O5	304.422	5	4	97.99	0	15	1	-4.8431	2.70019	2.67	2.479	62.9979	85.3822000000001	2.6135	326.606887516673
Cond-011252	NSC82151	82151	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	6.45221466408769	O=C1c2c(c(c3C[C@](C[C@H](O[C@@H]4O[C@@H]([C@H]([C@H](C4)N)O)C)c3c2O)(C(=O)C)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10?,14?,16-,17?,22?,27-;/m0./s1	C27H30ClNO10	563.981	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-011253	NSC8519	8519	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	99.8881155506494	o1c2c(c3occc3c(c2c(=O)cc1C)OC)OC	InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3	C14H12O5	260.242	5	0	57.9	3	2	0	-0.321800000000001	3.32427	2.45	1.094	38.5195	72.846	1.7909	219.963248658539
Cond-011254	NSC85236	85236	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	72.5967351437438	O=C1C=C[C@H]2[C@@H](C[C@H]3OC(=O)C(=C)[C@H]3[C@@H]([C@]12C)O)C	InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1	C15H18O4	262.301	4	1	63.6	3	0	0	0.1812	1.33257	2.67	0.551	67.8609	70.7448	1.9591	255.541923985445
Cond-011255	NSC85239	85239	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	92.9976684996927	C1(=C)C2CCC(C3(C(C2OC1=O)(C(=O)C=C3)C)O)C	InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3	C15H18O4	262.301	4	1	63.6	3	0	0	0.333199999999997	1.47667	2.67	0.423	67.4381	70.8148	1.9591	255.541923985445
Cond-011256	NSC87511	87511	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	TRUE	102.694641261731	O=Cc1c2Oc3c4C(OC(=O)c4c(c(c3OC(=O)c2c(cc1OC)C)C)O)O	InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3	C19H14O9	386.309	9	2	128.59	4	2	0	-0.0848999999999992	2.08613	2.56	1.513	47.1231	95.7296	2.4926	321.338243786918
Cond-011257	NSC89671	89671	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	12.5034970837351	[C@H]1(/C=C/C(=O)O[C@H](CCC/C=C/[C@H]2[C@H]1C[C@H](C2)O)C)O	InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1	C16H24O4	280.359	4	2	66.76	2	0	0	-0.704100000000001	2.04867	2.78	2.363	72.8596	78.6156	2.2516	287.830826012912
Cond-011258	NSC94600	94600	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	14.8065274894957	n1c2c3n(c(=O)c4COC(=O)[C@](c4c3)(O)CC)Cc2cc2ccccc12	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	C20H16N2O4	348.352	6	1	79.73	5	1	0	-1.587	1.96906	3	2.133	54.3602	95.6918	2.431	304.320156625513
Cond-011259	NSC9665	9665	100-uM	NCI-NP	NCI-NP	TRUE	FALSE	FALSE	97.4918476406344	O1[C@]2([C@@H]([C@]3(O[C@@H]3CC=C(C)C)C)[C@@H]([C@@H](CC2)O)OC)C1	InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1	C16H26O4	282.375	4	1	54.52	3	4	0	0.383099999999998	1.98129	2.78	1.415	73.0837	75.2668	2.229	280.747284713712
Cond-011260	NSC96911	96911	100-uM	NCI-NP	NCI-NP	TRUE	TRUE	FALSE	91.9440584422299	n1c2cc(c(cc2nc2c1[nH]c(=O)[nH]c2=O)C)C	InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)	C12H10N4O2	242.233	6	2	83.98	3	0	0	0.5328	1.36951	2.12	1.413	25.8883	68.2389	1.6892	200.351181436989
Cond-011261	NSC102816	102816	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	100.665205735657	n1c(nc(=O)n(c1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)N	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1	C8H12N4O5	244.205	9	5	140.97	2	2	0	-2.9436	-3.40263	1.35	-2.892	50.6896	59.5938	1.5823	202.240216539206
Cond-011262	NSC105014	105014	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	107.073788215853	Clc1nc(c2ncn(c2n1)[C@@H]1O[C@@H]([C@H](C1)O)CO)N	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)	C10H12ClN5O3	285.687	8	4	119.31	3	2	0	-1.7568	0.22659	1.57	-0.692	37.4576	67.935	1.8173	208.666642966817
Cond-011263	NSC109724	109724	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.499926393455	C1N([P@](=O)(OCC1)NCCCl)CCCl	InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1	C7H15Cl2N2O2P	261.086	4	1	51.38	1	5	0	0.084099999999999	0.5422	1.46	0.835	55.7243	54.4052	1.7527	207.095255147389
Cond-011264	NSC119875	119875	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.322860439232	[Cl]=[Pt](=[Cl])(N)N	InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+2	Cl2H4N2Pt	298.029	2	0	0	0	0	0	NA	-6.9557	0.91	NA	NA	4.268	0.4444	NA
Cond-011265	NSC122758	122758	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	71.9757228999618	C(=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)/C1=C(CCCC1(C)C)C	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	C20H28O2	300.435	2	1	37.3	1	5	1	3.8871	5.46744000000001	3.44	6.254	96.6302	95.6548000000001	2.6774	343.881393713657
Cond-011266	NSC122819	122819	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	98.8033188366352	s1c([C@@H]2OC[C@@H]3O[C@@H](O[C@H]4[C@@H]5[C@@H]([C@H](c6cc(c(c(c6)OC)O)OC)c6cc7OCOc7cc46)C(=O)OC5)[C@H]([C@H]([C@H]3O2)O)O)ccc1	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21?,23+,24-,26?,27?,28+,29?,31+,32?/m0/s1	C32H32O13S	656.654	13	3	189.07	8	6	0	-2.3208	2.30098000000001	3.44	1.374	93.2767	155.5824	4.28820000000001	539.530139979829
Cond-011267	NSC123127	123127	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	9.13454920758462	O=C1c2c(c(c3C[C@@](C(=O)CO)(C[C@H](O[C@@H]4O[C@@H]([C@H]([C@H](C4)N)O)C)c3c2O)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13+,15+,17+,22-,27+;/m1./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-011268	NSC123127	123127	1-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	89.8971266769067	O=C1c2c(c(c3C[C@@](C(=O)CO)(C[C@H](O[C@@H]4O[C@@H]([C@H]([C@H](C4)N)O)C)c3c2O)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13+,15+,17+,22-,27+;/m1./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-011269	NSC125066	125066	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	5.54977773502875	s1c(nc(c1)c1scc(n1)C(=O)NCCC[S+](C)C)CCNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)[C@H](NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)C(OC1OC(C(O)C(O)C1OC1OC(C(O)C(OC(=O)N)C1O)CO)CO)c1[nH]cnc1)C)C)[C@H](O)C.S(=O)(=O)(O)[O-]	InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41?,42?,43?,53?,54?;/m0./s1	C55H85N17O25S4	1512.62	38	25	683.55	6	41	3	-10.0755	-7.31160999999999	3	-8.13899999999999	255.6964	346.297599999999	9.91680000000003	1225.66204877889
Cond-011270	NSC125973	125973	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	108.231068587444	[C@@H]1(C(=O)[C@]2([C@H]([C@@H]([C@]3(C(C1=C([C@H](C3)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C)(C)C)O)OC(=O)c1ccccc1)[C@]1([C@@H](C[C@@H]2O)OC1)OC(=O)C)C)OC(=O)C	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	C47H51NO14	853.906	15	4	221.29	7	15	3	-2.0643	3.28918000000001	4.98	6.152	137.1334	219.663599999999	6.20430000000002	794.149120014154
Cond-011271	NSC127716	127716	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.777675371042	O=c1nc(ncn1[C@@H]1O[C@H](CO)[C@H](C1)O)N	InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1	C8H12N4O4	228.205	8	4	120.74	2	2	0	-2.7209	-2.37343	1.46	-2.291	47.6387	58.204	1.5236	193.449989838645
Cond-011272	NSC13875	13875	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.829104916825	n1c(nc(nc1N(C)C)N(C)C)N(C)C	InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3	C9H18N6	210.279	6	0	48.39	1	3	0	0.653399999999999	1.28517	1.79	0.285	42.8742	65.931	1.7379	199.0350467794
Cond-011273	NSC138783	138783	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.662327324288	c1c(cc2c(c1)n(c(n2)CCCC(=O)O)C)N(CCCl)CCCl.Cl	InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H	C16H22Cl3N3O2	394.724	5	1	58.36	2	9	0	0.8827	4.30887	2.45	3.426	59.1644	100.2658	2.5924	306.589871375557
Cond-011274	NSC1390	1390	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.831293247677	[nH]1c(=O)c2c(nc1)[nH]nc2	InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4O	136.111	5	2	70.14	2	0	0	-1.0894	-0.80292	1.46	-0.628	18.2925	38.4747	0.8818	101.654897158561
Cond-011275	NSC141540	141540	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	100.0377199053	O1c2c(OC1)cc1[C@@H](c3cc(c(c(c3)OC)O)OC)[C@H]3C(=O)OC[C@@H]3[C@H](O[C@@H]3O[C@H]4[C@@H](O[C@H](OC4)C)[C@@H]([C@@H]3O)O)c1c2	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15-,20+,21+,22-,24+,25-,26+,27+,29-/m0/s1	C29H32O13	588.557	13	3	160.83	7	5	0	-2.5703	1.71548000000001	3.22	0.199	90.7615	141.9444	3.89660000000001	497.66253814703
Cond-011276	NSC14229	14229	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	69.2086134556443	Clc1ccc2c(c3cc(ccc3nc2c1)OC)N[C@@H](C)CCCN(CC)CC.Cl	InChI=1S/C23H30ClN3O.ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H	C23H31Cl2N3O	436.418	4	1	37.39	3	9	1	0.427199999999999	6.37759000000001	3.44	5.121	58.9424	121.9587	3.203	375.13109318323
Cond-011277	NSC169780	169780	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.757098647669	O=C1NC(=O)CN([C@H](CN2CC(=O)NC(=O)C2)C)C1	InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1	C11H16N4O4	268.269	8	2	98.82	2	3	0	-2.2849	-2.47441	1.79	-2.616	62.8188	67.0174	1.9033	242.701485015445
Cond-011278	NSC180973	180973	0.5-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	93.9819827402226	O(c1ccc(/C(=C(/CC)\c2ccccc2)/c2ccccc2)cc1)CCN(C)C.C(CC(=O)O)(CC(=O)O)(O)C(=O)O	InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H37NO8	563.638	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-011279	NSC180973	180973	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	7.94129775358712	O(c1ccc(/C(=C(/CC)\c2ccccc2)/c2ccccc2)cc1)CCN(C)C.C(CC(=O)O)(CC(=O)O)(O)C(=O)O	InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H37NO8	563.638	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-011280	NSC18509	18509	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.720334125276	C(CC(=O)CN)C(=O)O.Cl	InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H	C5H10ClNO3	167.591	4	3	80.39	0	4	0	-1.3857	-0.38711	1.57	-1.549	30.4478	34.1742	1.003	127.130904738383
Cond-011281	NSC19893	19893	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	12.8480315782807	Fc1c[nH]c(=O)[nH]c1=O	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	C4H3FN2O2	130.077	4	2	58.2	1	0	0	-0.8946	-0.83912	1.35	-0.759	24.5722	28.4494	0.7693	103.116095068829
Cond-011282	NSC19893	19893	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	71.4093621216721	Fc1c[nH]c(=O)[nH]c1=O	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	C4H3FN2O2	130.077	4	2	58.2	1	0	0	-0.8946	-0.83912	1.35	-0.759	24.5722	28.4494	0.7693	103.116095068829
Cond-011283	NSC218321	218321	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.298584872025	C([C@H]1O[C@@H](C[C@@H]1O)n1cnc2[C@@H](CNC=Nc12)O)O	InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9-/m0/s1	C11H16N4O4	268.269	8	4	112.13	3	2	0	-2.3511	-1.04451	1.79	-1.206	47.9691	66.8341	1.8377	222.081485015445
Cond-011284	NSC226080	226080	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	9.17888853602418	[C@@H]1([C@@H](C[C@@H](CC1)C[C@H]([C@@H]1CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]2CC[C@H]([C@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)(O2)O)C)OC)\C)C)C)OC)O)\C)C)C)OC)O	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	C51H79NO13	914.172	14	3	195.43	4	6	1	-1.1466	6.11925000000001	5.53	4.321	237.1376	247.300399999999	7.33600000000003	942.767418825058
Cond-011285	NSC241240	241240	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.672603423327	C1CC2(C1)C(=O)O[Pt](OC2=O)(N)N	InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+4/p-2	C6H10N2O4Pt	369.233	6	4	104.64	2	0	0	-1.9062	-1.25621	1.35	-0.0880000000000002	38.4145	42.2198	1.0626	NA
Cond-011286	NSC24559	24559	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	98.1563791753306	c1(c(c2c(cc1O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O)O)C)O)C)cc1c(c2O)C(=O)[C@H]([C@@H](C1)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@](C1)(C)O)O)C)O)C)O)C)O)C	InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20?,21?,22?,23?,24?,27+,28?,30?,31?,32?,33?,34?,35?,36?,37?,41+,42?,43?,44?,45?,49+,50+,51?,52?/m1/s1	C52H76O24	1085.15	24	11	358.2	8	15	3	-8.07050000000001	0.234600000000015	4.54	-1.614	210.279	265.604199999999	7.67440000000003	979.806219547331
Cond-011287	NSC246131	246131	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	114.953361164231	O=C1c2c(C(=O)c3c(c4C[C@@](C[C@H](O[C@@H]5O[C@@H]([C@H]([C@H](C5)NC(=O)C(F)(F)F)O)C)c4c(c13)O)(O)C(=O)COC(=O)CCCC)O)cccc2OC	InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17+,19+,22+,27-,33+/m1/s1	C34H36F3NO13	723.644	14	5	215.22	5	13	2	-3.3263	3.28108000000001	3.33	0.998	114.9401	172.3741	4.79920000000001	627.508980633847
Cond-011288	NSC25154	25154	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	103.051700979497	N1(CCN(CC1)C(=O)CCBr)C(=O)CCBr	InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2	C10H16Br2N2O2	356.054	4	0	40.62	1	6	0	0.6472	1.46109	1.9	1.15	69.4528	73.225	1.99	242.028140629656
Cond-011289	NSC26271	26271	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.810728786952	O1CCCN[P@@]1(=O)N(CCCl)CCCl	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)	C7H15Cl2N2O2P	261.086	4	1	51.38	1	5	0	0.084099999999999	0.5422	1.46	0.835	55.7243	54.4052	1.7527	207.095255147389
Cond-011290	NSC266046	266046	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.607186672022	N1[Pt]2(=[O]C(=O)C(=O)[O]=2)NC2CCCCC12	InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2	C8H12N2O4Pt	395.27	6	2	58.2	3	0	0	NA	-4.42946	1.57	NA	NA	35.988	1.152	NA
Cond-011291	NSC26980	26980	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	70.9470584084027	C1(=C(C(=O)C2=C(C1=O)N1[C@@]([C@@H]2COC(=O)N)([C@@H]2[C@H](C1)N2)OC)N)C	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1	C15H18N4O5	334.327	9	5	146.89	4	4	0	-1.8914	-2.20083	2.12	-1.386	80.8988	82.4245	2.2654	293.326274117073
Cond-011292	NSC27640	27640	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.018647563587	Fc1c(=O)[nH]c(=O)n(c1)[C@@H]1O[C@@H]([C@H](C1)O)CO	InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	C9H11FN2O5	246.192	7	3	99.1	2	2	0	-2.2143	-1.02262	1.57	-1.4	48.9176	53.9123	1.5413	203.610239599046
Cond-011293	NSC279836	279836	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	152.458510709982	c1cc(c2c(c1NCCNCCO)C(=O)c1c(C2=O)c(ccc1O)O)NCCNCCO	InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2	C22H28N4O6	444.481	10	8	163.18	3	12	2	-3.9576	0.429280000000002	2.78	-2.166	71.848	123.2335	3.29	405.835475797102
Cond-011294	NSC296961	296961	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	97.2960142749095	S(P(=O)(O)O)CCNCCCN	InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)	C5H15N2O3PS	214.223	5	5	130.69	0	7	0	-1.2498	-0.2493	1.24	-1.866	48.5897	51.0432	1.5569	181.73685981375
Cond-011295	NSC3053	3053	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	14.5365651172862	c1cc(c2c(c1C)oc1c(c(=O)c(N)c(c1n2)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C)C)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-011296	NSC3088	3088	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.58660994865	c1cc(ccc1N(CCCl)CCCl)CCCC(=O)O	InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)	C14H19Cl2NO2	304.212	3	1	40.54	1	9	0	1.1176	3.61179	2.45	4.292	52.5235	83.9118	2.2626	275.897299109089
Cond-011297	NSC312887	312887	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	101.951036350106	Fc1nc(c2c(n1)n([C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H]1O)O)cn2)N	InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9+/m1/s1	C10H13FN5O7P	365.212	12	6	195.88	3	4	1	-2.112	-2.17991	1.02	-3.088	45.973	68.9496	2.152	254.511294256935
Cond-011298	NSC32065	32065	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	101.416127380954	C(=O)(NO)N	InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)	CH4N2O2	76.0547	4	4	75.35	0	1	0	-1.088	-1.35811	1.13	-1.606	12.5072	17.3596	0.5235	62.7899584433223
Cond-011299	NSC34462	34462	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.751199210335	O=c1[nH]c(=O)c(c[nH]1)N(CCCl)CCCl	InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)	C8H11Cl2N3O2	252.098	5	2	61.44	1	5	0	0.296999999999999	-0.0290199999999996	1.57	1.189	56.7501	60.3544	1.6598	207.651370471022
Cond-011300	NSC362856	362856	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.759286978521	c12n(c(=O)n(nn1)C)cnc2C(=O)N	InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)	C6H6N6O2	194.151	8	2	105.94	2	1	0	-0.7394	-0.29931	1.24	-1.943	27.795	47.1344	1.238	147.098170200523
Cond-011301	NSC369100	369100	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	101.720711016485	c1cccc2c1nc(c1c2n(cn1)CC(C)C)N	InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)	C14H16N4	240.304	4	2	56.73	3	2	0	-0.1522	4.03827	2.56	2.712	26.1001	77.4074	1.8966	209.0991559884
Cond-011302	NSC38721	38721	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	8.18817704762156	Clc1c(cccc1)[C@H](c1ccc(Cl)cc1)C(Cl)Cl	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H	C14H10Cl4	320.041	0	0	0	2	3	1	2.6539	5.9123	2.56	6.578	30.186	79.314	2.0956	249.212844938267
Cond-011303	NSC38721	38721	1-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	89.8668634517751	Clc1c(cccc1)[C@H](c1ccc(Cl)cc1)C(Cl)Cl	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H	C14H10Cl4	320.041	0	0	0	2	3	1	2.6539	5.9123	2.56	6.578	30.186	79.314	2.0956	249.212844938267
Cond-011304	NSC409962	409962	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	77.2836346194419	ClCCN(C(=O)NCCCl)N=O	InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)	C5H9Cl2N3O2	214.05	5	1	61.77	0	7	0	1.3048	0.6429	1.24	0.886	46.1797	46.1067	1.3887	170.756333995022
Cond-011305	NSC45388	45388	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	100.953230812282	n1c(c([nH]c1)/N=N/N(C)C)C(=O)N	InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+	C6H10N6O	182.183	7	3	99.73	1	3	0	-0.9411	-0.44461	1.35	-1.463	29.3491	48.7624	1.3309	153.300860901561
Cond-011306	NSC45923	45923	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.061989341184	c1cc(=O)oc2c1cc1ccoc1c2OC	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	C12H8O4	216.19	4	0	48.67	3	1	0	0.0640999999999999	3.42636	2.34	1.69	25.4701	63.738	1.4504	176.581052706245
Cond-011307	NSC49842	49842	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.204927820776	[nH]1c2[C@](C[C@H]3C[C@](CN(CCc2c2ccccc12)C3)(CC)O)(c1cc2[C@@]34[C@H]5N(CC=C[C@]5([C@H]([C@]([C@@H]4N(c2cc1OC)C)(O)C(=O)OC)OC(=O)C)CC)CC3)C(=O)OC.S(=O)(=O)(O)O	InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H60N4O13S	909.053	13	3	154.1	9	10	1	-1.9554	4.92416000000001	5.09	4.011	162.8566	226.692599999999	6.06710000000002	754.361658612382
Cond-011308	NSC606869	606869	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.17884790092	[C@@H]1([C@@H]([C@@H]([C@@H](O1)n1c2c(nc1)c(nc(n2)Cl)N)F)O)CO	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4-,6-,9+/m0/s1	C10H11ClFN5O3	303.677	8	4	119.31	3	2	0	-1.0395	0.17459	1.46	-0.548	38.8164	68.214	1.835	214.734201817123
Cond-011309	NSC608210	608210	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.195617444086	O([C@@H]1[C@]2([C@@H]3N(CC[C@@]43[C@@H](N(c3c4cc(c(OC)c3)[C@]3(C[C@H]4CN(Cc5c3[nH]c3c5cccc3)CC(=C4)CC)C(=O)OC)C)[C@@]1(O)C(=O)OC)CC=C2)CC)C(=O)C.O[C@H]([C@@H](O)C(=O)O)C(=O)O	InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;1-,2-/m01/s1	C49H60N4O14	929.019	12	2	133.87	9	10	1	-0.712399999999998	5.32826000000001	5.09	3.903	159.3105	219.581799999999	5.82450000000002	725.638988585154
Cond-011310	NSC609699	609699	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	104.306684902859	C1(=O)OCc2c([C@@]1(O)CC)cc1n(Cc3c1nc1c(c3)c(c(cc1)O)CN(C)C)c2=O.Cl	InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1	C23H24ClN3O5	457.907	8	2	103.2	5	3	0	-1.8179	1.82206	3.11	0.501	75.9284	116.6768	3.0122	375.995097411841
Cond-011311	NSC613327	613327	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.689481302865	[C@@H]1([C@@H](C([C@@H](O1)n1ccc(nc1=O)N)(F)F)O)CO.Cl	InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m0./s1	C9H12ClF2N3O4	299.659	7	4	108.38	2	2	0	-1.9392	-1.57183	1.46	-1.069	51.5282	58.097	1.6001	211.884331956957
Cond-011312	NSC616348	616348	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.81511157998	Cl.c12c(c(c3c(n1)ccc(c3)OC(=O)N1CC[C@@H](CC1)N1CCCCC1)CC)Cn1c2cc2c(c1=O)COC(=O)[C@@]2(CC)O	InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1	C33H39ClN4O6	623.139	10	1	112.51	7	6	0	-2.7949	3.90016000000001	3.99	3.633	113.2062	163.0508	4.3195	541.392554476835
Cond-011313	NSC628503	628503	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	100.149658819954	c1cccc(c1)[C@@H]([C@H](C(=O)O[C@H]1C[C@@]2(C(C(=C1C)[C@H](C(=O)[C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@@H](C[C@@H]1O)OC2)OC(=O)C)C)O)(C)C)O)O)NC(=O)OC(C)(C)C	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	C43H53NO14	807.879	15	5	224.45	6	14	2	-0.859000000000005	2.44268000000001	4.54	4.566	148.8337	205.410399999999	5.92130000000002	758.767475014687
Cond-011314	NSC63878	63878	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.956929656117	O1[C@@H](n2ccc(nc2=O)N)[C@@H]([C@@H]([C@H]1CO)O)O.Cl	InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H	C9H14ClN3O5	279.678	8	5	128.61	2	2	0	-2.9415	-2.84623	1.57	-2.193	52.8227	59.1568	1.6234	208.539440956906
Cond-011315	NSC6396	6396	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.483750857082	N1(P(=S)(N2CC2)N2CC2)CC1	InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2	C6H12N3PS	189.218	3	0	50.93	3	3	0	-0.761100000000001	-0.5335	1.57	0.76	50.7222	44.444	1.2957	146.5895484437
Cond-011316	NSC66847	66847	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.039224286959	c1ccc2c(c1)C(=O)N(C2=O)[C@H]1C(=O)NC(=O)CC1	InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1	C13H10N2O4	258.23	6	1	83.55	3	1	0	-1.9269	0.32169	2.23	0.697	35.5496	66.3567	1.7479	224.134099047645
Cond-011317	NSC67574	67574	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	101.027630535886	N1([C@@H]2[C@@]3([C@H]4N(CC=C[C@]4([C@H]([C@]2(O)C(=O)OC)OC(=O)C)CC)CC3)c2cc([C@]3(C[C@H]4C[C@](CN(CCc5c3[nH]c3c5cccc3)C4)(CC)O)C(=O)OC)c(cc12)OC)C=O.S(=O)(=O)(O)O	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1	C46H58N4O14S	923.036	14	3	171.17	9	11	2	-2.7746	4.45076000000001	4.98	3.564	163.0558	226.832599999999	6.08280000000002	760.515426612143
Cond-011318	NSC681239	681239	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	48.2958444767592	C(=O)(c1nccnc1)N[C@H](C(=O)N[C@H](B(O)O)CC(C)C)Cc1ccccc1	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	C19H25BN4O4	384.237	8	4	124.44	2	11	1	-1.7557	0.924590000000003	2.56	3.238	48.6507	104.97	2.9976	384.60175656958
Cond-011319	NSC686673	686673	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.123719511302	[C@@H]1([C@@H]([C@@H](O[C@H]1n1cnc2c1nc(nc2OC)N)CO)O)O	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6+,7-,10+/m0/s1	C11H15N5O5	297.267	10	5	148.77	3	3	0	-2.3309	-1.04222	1.57	-1.758	41.8322	71.9078000000001	1.9532	228.332013223373
Cond-011320	NSC698037	698037	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.352215011308	c1(nc2c(c(=O)[nH]1)c(c[nH]2)CCc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N	InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	C20H21N5O6	427.411	11	7	186.97	3	10	2	-2.4133	0.59217	2.45	-0.984	61.8357	114.6824	3.022	376.967349351935
Cond-011321	NSC701852	701852	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.199424624292	C(CCCCCC(=O)NO)C(=O)Nc1ccccc1	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	C14H20N2O3	264.32	5	3	78.43	1	10	0	-2.8123	3.30508	2.45	2.829	38.1924	76.1889	2.1333	262.62569177615
Cond-011322	NSC702294	702294	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	100.470779041061	O([C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCc2c1ccc(c2)OC(=O)N(CCCl)CCCl)C)P(=O)(O)O.[Na+]	InChI=1S/C23H32Cl2NO6P.Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);/q;+1/t18-,19-,20+,21+,23+;/m1./s1	C23H32Cl2NNaO6P+	543.373	7	2	106.11	4	9	1	1.5056	5.39778000000001	2.89	5.469	99.2036	131.9281	3.6443	449.479944849736
Cond-011323	NSC712807	712807	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.903299516833	n1c(=O)n(cc(c1NC(=O)OCCCCC)F)[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)C	InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10+,11+,13+/m1/s1	C15H22FN3O6	359.35	9	3	120.69	2	8	0	-2.7988	0.43627	2.01	0.787	77.286	87.6173	2.5022	324.536675562174
Cond-011324	NSC713563	713563	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	35.2215072621548	C1=C[C@]2(C(=CC1=O)C(=C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1	C20H24O2	296.403	2	0	34.14	4	0	0	1.6102	4.04196	3.44	3.819	88.1526	88.5790000000001	2.3946	309.448476312057
Cond-011325	NSC71423	71423	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	7.34467164338061	O=C1CC[C@@]2([C@H]3CC[C@@]4([C@](CC[C@H]4[C@@H]3C=C(C2=C1)C)(C(=O)C)OC(=O)C)C)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.56379999999999	4.66157000000001	3.66	4.049	108.3588	109.114	3.0756	396.212868216647
Cond-011326	NSC71423	71423	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	88.6262816331561	O=C1CC[C@@]2([C@H]3CC[C@@]4([C@](CC[C@H]4[C@@H]3C=C(C2=C1)C)(C(=O)C)OC(=O)C)C)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.56379999999999	4.66157000000001	3.66	4.049	108.3588	109.114	3.0756	396.212868216647
Cond-011327	NSC715055	715055	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	6.12055970281718	c12c(cc(c(c1)OC)OCCCN1CCOCC1)c(ncn2)Nc1cc(c(cc1)F)Cl	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	C22H24ClFN4O3	446.902	7	1	68.74	4	8	0	0.2384	4.94197	2.89	3.056	54.4249	121.5727	3.1454	377.486963615359
Cond-011328	NSC715055	715055	10-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	62.6748266357261	c12c(cc(c(c1)OC)OCCCN1CCOCC1)c(ncn2)Nc1cc(c(cc1)F)Cl	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	C22H24ClFN4O3	446.902	7	1	68.74	4	8	0	0.2384	4.94197	2.89	3.056	54.4249	121.5727	3.1454	377.486963615359
Cond-011329	NSC718781	718781	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.015975119292	c1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)C#C)OCCOC)OCCOC.Cl	InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H	C22H24ClN3O4	429.897	7	1	74.73	3	10	0	-0.0208999999999989	4.48997	3.11	3.144	47.7828	112.5787	2.9868	361.085344786213
Cond-011330	NSC719276	719276	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	110.653549475585	c1c(cc2c(c1)[C@@H]1[C@@H]([C@@H](C2)CCCCCCCCC[S@](=O)CCCC(C(F)(F)F)(F)F)[C@H]2[C@](CC1)([C@H](CC2)O)C)O	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41+/m1/s1	C32H47F5O3S	606.771	3	2	76.74	4	15	2	-1.7457	9.54830000000001	3.99	10.614	111.9548	152.7871	4.4821	569.01025423375
Cond-011331	NSC719344	719344	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.333148800918	c1c(cc(cc1C(C#N)(C)C)C(C#N)(C)C)Cn1ncnc1	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	C17H19N5	293.366	5	0	78.29	2	4	0	1.9226	2.80737	2.78	1.885	47.2568	83.341	2.3987	287.330952672568
Cond-011332	NSC719345	719345	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.137706716823	c1c(ccc(c1)C(c1ccc(cc1)C#N)n1cncn1)C#N	InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	C17H11N5	285.303	5	0	78.29	3	3	0	0.0322	3.15187	2.78	3.014	18.6931	80.548	2.1611	256.165117869367
Cond-011333	NSC719627	719627	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	7.83843099786501	c1(ccc(cc1)n1nc(cc1c1ccc(cc1)C)C(F)(F)F)S(=O)(=O)N	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	C17H14F3N3O2S	381.372	5	2	85.84	3	4	1	0.8168	4.344	2.34	5.417	25.9763	87.6074	2.4675	299.009586265876
Cond-011334	NSC719627	719627	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	72.7810665472329	c1(ccc(cc1)n1nc(cc1c1ccc(cc1)C)C(F)(F)F)S(=O)(=O)N	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	C17H14F3N3O2S	381.372	5	2	85.84	3	4	1	0.8168	4.344	2.34	5.417	25.9763	87.6074	2.4675	299.009586265876
Cond-011335	NSC721517	721517	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	99.2228755438453	n1ccn(c1)CC(P(=O)(O)O)(P(=O)(O)O)O	InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	C5H10N2O7P2	272.09	9	5	172.73	1	4	0	-1.1181	-2.4082	0.8	-4.318	35.6957	42.811	1.6382	189.686619863995
Cond-011336	NSC732517	732517	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	36.1061592154014	N1(CCN(CC1)c1nc(nc(c1)Nc1sc(cn1)C(=O)Nc1c(cccc1Cl)C)C)CCO	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	C22H26ClN7O2S	488.006	9	3	134.75	4	8	0	0.608700000000002	5.24630000000001	2.67	2.22	72.1852	137.0152	3.4889	411.492024045791
Cond-011337	NSC733504	733504	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	13.6086998597411	C1CN2[C@@H](CC1)C(=O)O[C@H]([C@@H](C[C@@H]1CC[C@H]([C@@H](C1)OC)OCCO)C)CC(=O)[C@@H](/C=C(/[C@@H](O)[C@H](C(=O)[C@@H](C[C@H](C)/C=C/C=C/C=C(/[C@H](C[C@@H]1CC[C@H]([C@](C(=O)C2=O)(O1)O)C)OC)\C)C)OC)\C)C	InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1	C53H83NO14	958.224	15	3	204.66	4	9	1	-1.2775	6.13585000000001	5.64	4.131	248.1811	258.119399999999	7.67650000000003	986.149614777352
Cond-011338	NSC737754	737754	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.656427886954	c1c(cc2c(c1)c(n(n2)C)C)N(c1ccnc(n1)Nc1cc(c(cc1)C)S(=O)(=O)N)C.Cl	InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H	C21H24ClN7O2S	473.979	9	3	127.41	4	5	0	-0.0444000000000003	4.67921	2.67	2.598	42.8656	116.8571	3.1826	365.448512948691
Cond-011339	NSC740	740	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	99.9245663207231	n1c2nc(nc(c2nc(c1)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	C20H22N8O5	454.439	13	7	210.54	3	10	1	-2.8974	1.37836	2.23	-2.583	54.4148	123.8716	3.2197	387.630944575074
Cond-011340	NSC743414	743414	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.535180402866	c1cc(nc(n1)Nc1c(ccc(c1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C)c1cccnc1	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	C29H31N7O	493.603	8	2	86.28	5	8	0	-0.226499999999999	5.24210000000001	3.77	4.265	51.2973	149.6984	3.85	456.251304394264
Cond-011341	NSC745750	745750	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	57.368671178381	c1c(cc2c(c1)ncnc2Nc1cc(Cl)c(cc1)OCc1cccc(c1)F)c1ccc(o1)CNCCS(=O)(=O)C	InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	C29H26ClFN4O4S	581.058	8	2	114.73	5	11	2	-0.2015	7.52067	3.44	6.038	49.5134	156.9874	4.0303	478.519354549787
Cond-011342	NSC747599	747599	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	51.3091668142752	c1c(cc(cc1n1cc(nc1)C)NC(=O)c1cc(c(cc1)C)Nc1nccc(n1)c1cccnc1)C(F)(F)F	InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	C28H22F3N7O	529.516	8	2	97.1	5	8	1	1.1376	7.20972000000001	3.33	6.357	31.3087	144.4154	3.67620000000001	440.985078917716
Cond-011343	NSC747971	747971	0.5-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	70.128429336211	c1(cc(ncc1)C(=O)NC)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	C21H16ClF3N4O3	464.825	7	3	92.35	3	9	1	0.5281	6.91275	2.56	5.131	36.7501	118.9026	3.0195	376.773179288504
Cond-011344	NSC747971	747971	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	11.9839525163291	c1(cc(ncc1)C(=O)NC)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	C21H16ClF3N4O3	464.825	7	3	92.35	3	9	1	0.5281	6.91275	2.56	5.131	36.7501	118.9026	3.0195	376.773179288504
Cond-011345	NSC747972	747972	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.098753863577	c1cc(c2c(c1)C(=O)N(C2)[C@H]1CCC(=O)NC1=O)N	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1	C13H13N3O3	259.261	6	3	92.5	3	1	0	-2.5417	1.08719	2.23	-0.463	39.5424	70.0686	1.832	228.97709125605
Cond-011346	NSC747973	747973	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	103.782064295393	s1cc(nc1C)/C=C(/[C@H]1NC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@]2(O[C@H]2C1)C)C)C)(C)C)\C	InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1	C27H42N2O5S	506.698	7	3	140.29	3	2	0	0.848199999999994	4.28120000000001	3.55	2.393	120.2458	140.3163	4.0287	498.850051969542
Cond-011347	NSC747974	747974	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	9.412288988185	c1(ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O)O	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	C28H27NO4S	473.583	5	2	98.24	5	7	1	-1.5523	5.49487000000001	3.88	5.077	50.3694	136.4426	3.5359	423.12738008028
Cond-011348	NSC747974	747974	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	89.2011867224158	c1(ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O)O	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	C28H27NO4S	473.583	5	2	98.24	5	7	1	-1.5523	5.49487000000001	3.88	5.077	50.3694	136.4426	3.5359	423.12738008028
Cond-011349	NSC749226	749226	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	73.1910225398266	C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC=C1c1cnccc1)C)O	InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1	C24H31NO	349.509	2	1	33.12	5	1	1	0.483000000000001	5.14208000000001	3.88	5.792	82.0437	103.9748	2.8907	357.58248962233
Cond-011350	NSC750	750	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.18104849442	S(=O)(=O)(OCCCCOS(=O)(=O)C)C	InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3	C6H14O6S2	246.302	6	0	103.5	0	7	0	-1.1338	1.1136	1.24	-1.232	46.6246	44.0095	1.6332	202.091774774567
Cond-011351	NSC750690	750690	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	18.7217112206479	c1(c(c(C)[nH]c1/C=C\1/c2c(ccc(c2)F)NC1=O)C(=O)NCCN(CC)CC)C	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	C22H27FN4O2	398.474	6	3	77.23	3	8	0	0.8852	3.34922	3.11	3.395	71.692	114.7319	3.0729	376.742127845164
Cond-011352	NSC752	752	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.162660101899	n1c(=S)c2[nH]cnc2[nH]c1N	InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)	C5H5N5S	167.192	5	4	111.18	2	0	0	-0.7605	0.15388	1.35	-0.741	27.2321	48.0471	1.0864	122.370454723767
Cond-011353	NSC754143	754143	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	73.5598669527215	S1SCC/C=C/[C@H]2OC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@H](NC(=O)[C@H](NC(=O)C2)C(C)C)C1)C(C)C	InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1	C24H36N4O6S2	540.696	10	4	193.3	2	2	0	-0.126700000000003	1.51587	2.78	3.619	136.1292	143.2408	4.0504	514.238410565636
Cond-011354	NSC754230	754230	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.506515911307	O=C(N[C@@H](CCC(=O)O)C(=O)O)c1ccc(C(Cc2nc3c(nc2)nc(nc3N)N)CC#C)cc1	InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1	C23H23N7O5	477.473	12	7	207.3	3	11	2	-2.1821	2.51065	2.67	-0.632999999999999	61.2949	131.7706	3.4566	423.249220842908
Cond-011355	NSC755	755	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.419832356113	n1c(=S)c2[nH]cnc2[nH]c1	InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4S	152.177	4	2	85.16	2	0	0	-0.8365	0.86748	1.46	-0.416	26.0834	44.9167	0.9866	111.3736945156
Cond-011356	NSC755986	755986	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	103.041424880459	Clc1c(ccc(S(=O)(=O)C)c1)C(=O)Nc1cc(c(Cl)cc1)c1ncccc1	InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	C19H14Cl2N2O3S	421.297	5	1	84.51	3	5	0	0.5309	6.40888	2.67	4.446	33.011	111.3907	2.8139	338.341563598351
Cond-011357	NSC756645	756645	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	5.61651351947747	Clc1c([C@H](Oc2cc(c3cn(nc3)C3CCNCC3)cnc2N)C)c(Cl)cc(F)c1	InChI=1S/C21H22Cl2FN5O/c1-12(20-17(22)7-15(24)8-18(20)23)30-19-6-13(9-27-21(19)25)14-10-28-29(11-14)16-2-4-26-5-3-16/h6-12,16,26H,2-5H2,1H3,(H2,25,27)/t12-/m1/s1	C21H22Cl2FN5O	450.337	6	3	77.99	4	5	0	0.0548000000000002	5.31207	2.78	2.834	52.085	121.8171	3.1093	368.81835356697
Cond-011358	NSC756645	756645	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	95.9084227833871	Clc1c([C@H](Oc2cc(c3cn(nc3)C3CCNCC3)cnc2N)C)c(Cl)cc(F)c1	InChI=1S/C21H22Cl2FN5O/c1-12(20-17(22)7-15(24)8-18(20)23)30-19-6-13(9-27-21(19)25)14-10-28-29(11-14)16-2-4-26-5-3-16/h6-12,16,26H,2-5H2,1H3,(H2,25,27)/t12-/m1/s1	C21H22Cl2FN5O	450.337	6	3	77.99	4	5	0	0.0548000000000002	5.31207	2.78	2.834	52.085	121.8171	3.1093	368.81835356697
Cond-011359	NSC757441	757441	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	103.936365195392	S(c1cc2[nH]nc(c2cc1)/C=C/c1ncccc1)c1c(cccc1)C(=O)NC	InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+	C22H18N4OS	386.47	5	2	95.97	4	6	1	0.1055	3.67226	3.22	5.771	34.5503	111.5067	2.8794	335.691072847896
Cond-011360	NSC758252	758252	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	106.192687985961	O1[C@](C1)(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)CC(C)C)Cc1ccccc1)CC(C)C)C	InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1	C40H57N5O7	719.91	12	4	158.47	4	24	3	-2.22180000000001	2.81739000000001	4.54	7.556	140.7795	201.407799999999	5.74710000000001	716.684351168226
Cond-011361	NSC760766	760766	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	6.5423127881454	Brc1cc(F)c(Nc2ncnc3cc(OCC4CCN(CC4)C)c(OC)cc23)cc1	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	C22H24BrFN4O2	475.354	6	1	59.51	4	6	0	0.0104	5.67057	3	4.174	53.0638	122.6077	3.1393	372.769288121931
Cond-011362	NSC760766	760766	10-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	91.0469368554261	Brc1cc(F)c(Nc2ncnc3cc(OCC4CCN(CC4)C)c(OC)cc23)cc1	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	C22H24BrFN4O2	475.354	6	1	59.51	4	6	0	0.0104	5.67057	3	4.174	53.0638	122.6077	3.1393	372.769288121931
Cond-011363	NSC761431	761431	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	71.3893843850261	Clc1ccc(c2cc3c(C(=O)c4c(F)c(NS(=O)(=O)CCC)ccc4F)c[nH]c3nc2)cc1	InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	C23H18ClF2N3O3S	489.922	6	2	100.3	4	7	1	-0.1421	6.56508	2.89	5.035	40.6707	129.4537	3.2387	389.553394838565
Cond-011364	NSC761432	761432	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	104.73910345964	O1[C@H]2[C@](OC(=O)C)([C@@H]3[C@@]([C@@H](OC)C2)(C(=O)[C@H](OC)C2=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@H]3OC(=O)c3ccccc3)C2(C)C)C)C)C1	InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1	C45H57NO14	835.932	15	3	202.45	6	16	3	-0.0420000000000016	3.75088000000001	4.76	5.175	158.3361	214.990799999999	6.20310000000002	793.35944426642
Cond-011365	NSC762	762	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	90.6357146803088	ClCCN(CCCl)C.Cl	InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H	C5H12Cl3N	192.514	1	0	3.24	0	4	0	1.6505	1.3958	1.68	1.593	38.6747	38.937	1.1577	136.455277579167
Cond-011366	NSC77213	77213	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	103.967218017803	c1cc(ccc1CNNC)C(=O)NC(C)C.Cl	InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H	C12H20ClN3O	257.76	4	3	53.16	1	6	0	-1.3095	0.67769	2.34	2.769	39.6457	67.2091	1.8769	224.086488032261
Cond-011367	NSC79037	79037	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	11.8605128693119	C1CCCCC1NC(=O)N(CCCl)N=O	InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)	C9H16ClN3O2	233.695	5	1	61.77	1	6	0	-0.9531	1.7368	1.79	2.378	49.0956	57.3927	1.7213	212.372746027256
Cond-011368	NSC82151	82151	0.5-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	98.2584758372134	O=C1c2c(c(c3C[C@](C[C@H](O[C@@H]4O[C@@H]([C@H]([C@H](C4)N)O)C)c3c2O)(C(=O)C)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10?,14?,16-,17?,22?,27-;/m0./s1	C27H30ClNO10	563.981	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-011369	NSC82151	82151	100-uM	NCI-ONC	NCI-ONC	TRUE	FALSE	FALSE	7.43725157024741	O=C1c2c(c(c3C[C@](C[C@H](O[C@@H]4O[C@@H]([C@H]([C@H](C4)N)O)C)c3c2O)(C(=O)C)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10?,14?,16-,17?,22?,27-;/m0./s1	C27H30ClNO10	563.981	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-011370	NSC85998	85998	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.444791872513	C([C@H]([C@H]([C@@H]([C@@H](NC(=O)N(C)N=O)C=O)O)O)O)O	InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1	C8H15N3O7	265.221	10	5	159.76	0	9	0	-2.4582	-3.5624	1.24	-3.47	56.5774	55.8149	1.8171	233.536827133761
Cond-011371	NSC8806	8806	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	102.686049054014	c1c(ccc(c1)N(CCCl)CCCl)C[C@H](N)C(=O)O.Cl	InChI=1S/C13H18Cl2N2O2.ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);1H/t12-;/m0./s1	C13H19Cl3N2O2	341.661	4	3	66.56	1	8	0	0.4638	2.15889	2.23	0.515000000000001	52.6076	82.6532	2.2215	269.598074691389
Cond-011372	NSC92859	92859	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	FALSE	105.582221024298	[AsH](=O)O[AsH]=O	InChI=1S/As2O3/c3-1-5-2-4	As2H2O3	199.857	3	0	43.37	0	2	0	-0.0142	-0.8056	0.91	-0.363	4.236	8.8985	0.6989	73.4943767576167
Cond-011373	NSC9706	9706	100-uM	NCI-ONC	NCI-ONC	TRUE	TRUE	TRUE	73.9812829656083	N1(CC1)c1nc(N2CC2)nc(n1)N1CC1	InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2	C9H12N6	204.232	6	0	47.7	4	3	0	0.109199999999999	0.54717	1.79	-0.345	36.9672	59.589	1.4121	161.965670677
Cond-011374	NSC100058	100058	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.457995723694	N1(Cc2ccc(c3OC4C(c23)(CC1)C=CC(C4)O)OC)C	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3	C17H21NO3	287.354	4	1	41.93	4	1	0	-0.562700000000001	1.43699	2.89	1.062	56.6169	78.7768000000001	2.1734	269.083968043984
Cond-011375	NSC100120	100120	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.7243155716399	n1c(=O)c2ncn(c2[nH]c1)c1cc(c(cc1)N)C	InChI=1S/C12H11N5O/c1-7-4-8(2-3-9(7)13)17-6-16-10-11(17)14-5-15-12(10)18/h2-6H,13H2,1H3,(H,14,15,18)	C12H11N5O	241.249	6	3	84.78	3	1	0	-1.4099	3.13508	2.12	1.339	27.4147	74.3061	1.7303	202.557714944595
Cond-011376	NSC100708	100708	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	5.96653161056822	c1ccc(cc1)C(c1ccccc1)(c1ccc(cc1CN(C)C)C(F)(F)F)O	InChI=1S/C23H22F3NO/c1-27(2)16-17-15-20(23(24,25)26)13-14-21(17)22(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,28H,16H2,1-2H3	C23H22F3NO	385.422	2	1	23.47	3	6	1	0.582299999999999	3.5641	3.44	8.279	30.3058	99.6418000000001	2.8481	350.856264145782
Cond-011377	NSC100708	100708	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc(cc1)C(c1ccccc1)(c1ccc(cc1CN(C)C)C(F)(F)F)O	InChI=1S/C23H22F3NO/c1-27(2)16-17-15-20(23(24,25)26)13-14-21(17)22(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,28H,16H2,1-2H3	C23H22F3NO	385.422	2	1	23.47	3	6	1	0.582299999999999	3.5641	3.44	8.279	30.3058	99.6418000000001	2.8481	350.856264145782
Cond-011378	NSC100729	100729	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.840031209083	c1cccc(c1c1nnco1)O	InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H	C8H6N2O2	162.145	4	1	59.15	2	1	0	-0.6144	1.86119	1.9	1.718	4.1837	44.702	1.1206	126.803098619589
Cond-011379	NSC10091	10091	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	29.1764782042645	c1(c[nH]c2c1cccc2)/C=C(/C#N)\C(=O)OCC	InChI=1S/C14H12N2O2/c1-2-18-14(17)10(8-15)7-11-9-16-13-6-4-3-5-12(11)13/h3-7,9,16H,2H2,1H3/b10-7-	C14H12N2O2	240.257	4	1	65.88	2	4	0	0.1481	2.44477	2.56	2.677	34.8793	70.451	1.837	222.669630272389
Cond-011380	NSC100942	100942	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	150.338394192361	c1c(ccc(c1)NC(=O)C)S(=O)(=O)N=S(C)C	InChI=1S/C10H14N2O3S2/c1-8(13)11-9-4-6-10(7-5-9)17(14,15)12-16(2)3/h4-7H,1-3H3,(H,11,13)	C10H14N2O3S2	274.36	5	1	103.19	1	4	0	-1.3568	2.83178	1.79	1.716	35.4009	67.8717	1.9397	233.096260088684
Cond-011381	NSC101266	101266	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.557867623276	N1(CC1)CCNC(=O)Nc1ccccc1C	InChI=1S/C12H17N3O/c1-10-4-2-3-5-11(10)14-12(16)13-6-7-15-8-9-15/h2-5H,6-9H2,1H3,(H2,13,14,16)	C12H17N3O	219.283	4	2	44.14	2	6	0	0.0739000000000003	1.40451	2.34	1.648	37.1915	66.9064	1.7683	211.730029331461
Cond-011382	NSC101298	101298	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.761069401952	N1(CC1)CCCNC(=O)Nc1c2ccccc2ccc1	InChI=1S/C16H19N3O/c20-16(17-9-4-10-19-11-12-19)18-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8H,4,9-12H2,(H2,17,18,20)	C16H19N3O	269.342	4	2	44.14	3	7	0	-0.8561	2.86508	2.78	3.559	34.601	85.1234	2.1373	252.384591732528
Cond-011383	NSC101345	101345	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.266105391426	n1c(c([nH]c1)/N=N/N(C1CCCCC1)C)C(=O)NN	InChI=1S/C11H19N7O/c1-18(8-5-3-2-4-6-8)17-16-10-9(11(19)15-12)13-7-14-10/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,19)	C11H19N7O	265.315	8	4	111.76	2	5	0	-3.1293	0.762890000000001	1.79	-0.115	46.8924	72.8471	2.0266	238.421085538262
Cond-011384	NSC1014	1014	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.7569164357805	n1c(cc(cc1)C)NC(c1ccccc1)c1c(c2ncccc2cc1)O	InChI=1S/C22H19N3O/c1-15-11-13-23-19(14-15)25-20(16-6-3-2-4-7-16)18-10-9-17-8-5-12-24-21(17)22(18)26/h2-14,20,26H,1H3,(H,23,25)	C22H19N3O	341.406	4	2	58.04	4	4	1	-0.2891	5.1778	3.44	5.861	14.7646	104.1497	2.6591	308.82174728293
Cond-011385	NSC101653	101653	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.4564398943734	O=c1nc[nH]c(c1O)CN1CCCCC1	InChI=1S/C10H15N3O2/c14-9-8(11-7-12-10(9)15)6-13-4-2-1-3-5-13/h7,14H,1-6H2,(H,11,12,15)	C10H15N3O2	209.245	5	2	64.93	2	2	0	-2.6733	0.45777	2.01	1.737	51.8137	60.3685	1.5882	199.464745481089
Cond-011386	NSC101679	101679	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.346843425345	n1c2c(cc(c(c2ccc1)NC(=O)C)OC)NC(=O)C	InChI=1S/C14H15N3O3/c1-8(18)16-11-7-12(20-3)14(17-9(2)19)10-5-4-6-15-13(10)11/h4-7H,1-3H3,(H,16,18)(H,17,19)	C14H15N3O3	273.287	6	2	80.32	2	5	0	-1.3016	3.49497	2.34	0.865	33.0476	82.4494	2.0385	245.093075881917
Cond-011387	NSC10173	10173	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.426391757377	O=C1CC(Cc2c1cc(c(c2)OC)OC)C(=O)OCC	InChI=1S/C15H18O5/c1-4-20-15(17)10-5-9-7-13(18-2)14(19-3)8-11(9)12(16)6-10/h7-8,10H,4-6H2,1-3H3	C15H18O5	278.3	5	0	61.83	2	5	0	0.1055	2.24589	2.56	1.231	49.1852	75.5635	2.0834	263.152150686006
Cond-011388	NSC101758	101758	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.053903821314	O1C(C(CC(C1OC)O)NC(=O)C(F)(F)F)O	InChI=1S/C8H12F3NO5/c1-16-6-4(13)2-3(5(14)17-6)12-7(15)8(9,10)11/h3-6,13-14H,2H2,1H3,(H,12,15)	C8H12F3NO5	259.18	6	3	88.02	1	4	0	-0.7876	-0.66051	1.35	-0.39	44.0026	49.7413	1.5306	205.081988568025
Cond-011389	NSC101777	101777	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.500001743959	O1P(=O)(OCC(C1)(N(=O)=O)C)N1CC1CC	InChI=1S/C8H15N2O5P/c1-3-7-4-9(7)16(13)14-5-8(2,6-15-16)10(11)12/h7H,3-6H2,1-2H3	C8H15N2O5P	250.189	7	0	91.49	2	3	0	-0.0799999999999993	-0.2119	1.46	-0.0640000000000001	50.4288	52.7825	1.6733	205.346866932472
Cond-011390	NSC101789	101789	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.7213750478662	n1(c2c(cccc2)O)c(c2ccccc2)ccc1c1ccccc1	InChI=1S/C22H17NO/c24-22-14-8-7-13-21(22)23-19(17-9-3-1-4-10-17)15-16-20(23)18-11-5-2-6-12-18/h1-16,24H	C22H17NO	311.376	2	1	24.64	4	3	1	-0.4471	6.41368	3.66	8.394	5.4626	103.976	2.4595	286.828226866596
Cond-011391	NSC102025	102025	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.6647436994635	O=c1[nH]c(=S)[nH]c(c1)CCCCC	InChI=1S/C9H14N2OS/c1-2-3-4-5-7-6-8(12)11-9(13)10-7/h6H,2-5H2,1H3,(H2,10,11,12,13)	C9H14N2OS	198.285	3	2	73.22	1	4	0	-0.494900000000002	1.61498	2.01	2.213	51.5315	59.0744	1.5609	193.247256704895
Cond-011392	NSC102086	102086	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3387472281708	c1ccc(cc1NC(=S)NCC=C)N(=O)=O	InChI=1S/C10H11N3O2S/c1-2-6-11-10(16)12-8-4-3-5-9(7-8)13(14)15/h2-5,7H,1,6H2,(H2,11,12,16)	C10H11N3O2S	237.278	5	2	99.29	1	6	0	1.6506	2.41428	1.9	2.959	36.6829	70.2294	1.7313	211.520852137089
Cond-011393	NSC10211	10211	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.2247129668749	n1(c2c(cccc2)C(=O)O)c2ccccc2c2c1cccc2	InChI=1S/C19H13NO2/c21-19(22)15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H,(H,21,22)	C19H13NO2	287.312	3	1	41.71	4	2	1	-0.2266	4.87968	3.22	6.097	10.1173	92.2448000000001	2.1385	246.366958390356
Cond-011394	NSC102288	102288	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.181409876963	C1C=CC2C1C1C/C(=N\NC(=O)N)/C2C1	InChI=1S/C11H15N3O/c12-11(15)14-13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-9H,2,4-5H2,(H3,12,14,15)/b13-10+	C11H15N3O	205.256	4	3	67.48	3	2	0	-0.8971	0.66467	2.23	1.218	53.9444	60.5041	1.5618	195.614044705595
Cond-011395	NSC102314	102314	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.370717777511	O1C2CC3C4CC(C(C4)C3C12)OCCOC1CC2C3CC4OC4C3C1C2	InChI=1S/C22H30O4/c1(23-15-5-9-3-13(15)19-11(9)7-17-21(19)25-17)2-24-16-6-10-4-14(16)20-12(10)8-18-22(20)26-18/h9-22H,1-8H2	C22H30O4	358.471	4	0	43.52	8	5	0	-2.1972	2.6434	3.44	1.996	86.2486	92.424	2.5744	325.377357665713
Cond-011396	NSC102509	102509	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.304712634644	Clc1cccc2c1nccc2O	InChI=1S/C9H6ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)	C9H6ClNO	179.603	2	1	33.12	2	0	0	0.284	3.36958	2.12	1.95	8.1802	51.878	1.2254	139.523164107161
Cond-011397	NSC102554	102554	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.316509318818	O=C1NC(=O)N2C(N1)(SCC2)Cc1ccccc1	InChI=1S/C12H13N3O2S/c16-10-13-11(17)15-6-7-18-12(15,14-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,14,16,17)	C12H13N3O2S	263.316	5	2	86.74	3	2	0	0.9147	0.96249	2.12	3.051	42.0176	71.9584	1.8389	224.036362688023
Cond-011398	NSC103189	103189	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.740770205858	O=C1NC(=O)C(C2(CCCC(C2)C(F)(F)F)C1C#N)C#N	InChI=1S/C13H12F3N3O2/c14-13(15,16)7-2-1-3-12(4-7)8(5-17)10(20)19-11(21)9(12)6-18/h7-9H,1-4H2,(H,19,20,21)	C13H12F3N3O2	299.248	5	1	93.75	2	1	0	-0.204900000000001	1.72747	2.01	1.081	60.8647	63.3197	1.935	261.645999807208
Cond-011399	NSC103331	103331	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.471210351473	n1c(c(sc1C)C(=O)N/N=C/c1ccc(cc1)N(CCCl)CCCl)C	InChI=1S/C17H20Cl2N4OS/c1-12-16(25-13(2)21-12)17(24)22-20-11-14-3-5-15(6-4-14)23(9-7-18)10-8-19/h3-6,11H,7-10H2,1-2H3,(H,22,24)/b20-11+	C17H20Cl2N4OS	399.338	5	1	85.83	2	9	1	1.9606	3.62773	2.45	5.169	67.3952	109.9587	2.8519	339.328496165029
Cond-011400	NSC103520	103520	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	110.859263174194	n1c(c(c(nc1N)Nc1ccc(Br)cc1)/C=N/c1ccc(Br)cc1)N	InChI=1S/C17H14Br2N6/c18-10-1-5-12(6-2-10)22-9-14-15(20)24-17(21)25-16(14)23-13-7-3-11(19)4-8-13/h1-9H,(H5,20,21,23,24,25)	C17H14Br2N6	462.141	6	5	102.21	3	4	0	-0.1768	5.96836	2.45	4.824	36.4934	112.8175	2.6969	311.002033434268
Cond-011401	NSC103770	103770	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.884264753448	n1scc(n1)NC(=O)c1nnsc1	InChI=1S/C5H3N5OS2/c11-5(3-1-12-9-7-3)6-4-2-13-10-8-4/h1-2H,(H,6,11)	C5H3N5OS2	213.24	6	1	137.14	2	3	0	0.5464	1.21038	1.13	0.895	23.0285	51.0357	1.2656	136.133246781128
Cond-011402	NSC103775	103775	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.981798570558	n1nsc(c1C(=O)NN)c1nnsc1	InChI=1S/C5H4N6OS2/c6-7-5(12)3-4(14-11-9-3)2-1-13-10-8-2/h1H,6H2,(H,7,12)	C5H4N6OS2	228.255	7	3	163.16	2	3	0	-0.0490999999999999	-0.32311	1.02	-0.586	28.3126	54.3711	1.3654	147.130006989295
Cond-011403	NSC10416	10416	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	62.3979894578548	n1(c2ccccc2)c2ccccc2c2c1cccc2	InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H	C18H13N	243.303	1	0	4.41	4	1	1	0.0132	5.21309	3.33	6.86	2.898	82.2640000000001	1.9232	214.126979064167
Cond-011404	NSC10427	10427	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.861119850135	O1C(=O)/C(=C/c2ccc(cc2)C)/CC1	InChI=1S/C12H12O2/c1-9-2-4-10(5-3-9)8-11-6-7-14-12(11)13/h2-5,8H,6-7H2,1H3	C12H12O2	188.222	2	0	26.3	2	1	0	1.0903	2.0961	2.56	4.349	30.0563	55.816	1.4846	184.893516706722
Cond-011405	NSC10428	10428	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.783817229902	C1COC(=O)/C/1=C\c1ccc(cc1)OC	InChI=1S/C12H12O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-5,8H,6-7H2,1H3/b10-8-	C12H12O3	204.222	3	0	35.53	2	2	0	0.3965	2.07668	2.45	2.527	31.87	58.728	1.5433	193.683743407284
Cond-011406	NSC104969	104969	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.796348110512	n12c(nc(Cl)cc2=O)ccc(c1)C	InChI=1S/C9H7ClN2O/c1-6-2-3-8-11-7(10)4-9(13)12(8)5-6/h2-5H,1H3	C9H7ClN2O	194.618	3	0	32.67	2	0	0	1.0102	1.69105	2.01	0.712	52.1465	54.362	1.3252	172.319924315328
Cond-011407	NSC105348	105348	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.933995153279	[nH]1c2ccccc2c(c1)C(=O)Cc1cc(c(cc1Cl)OC)OC	InChI=1S/C18H16ClNO3/c1-22-17-8-11(14(19)9-18(17)23-2)7-16(21)13-10-20-15-6-4-3-5-12(13)15/h3-6,8-10,20H,7H2,1-2H3	C18H16ClNO3	329.778	4	1	51.32	3	5	0	-0.00870000000000026	4.15558	2.89	3.694	33.4424	95.384	2.3733	281.601644337884
Cond-011408	NSC105432	105432	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.942856707634	C1(CCCC1)(Nc1ccc(cc1)S(=O)(=O)N)C(=O)O	InChI=1S/C12H16N2O4S/c13-19(17,18)10-5-3-9(4-6-10)14-12(11(15)16)7-1-2-8-12/h3-6,14H,1-2,7-8H2,(H,15,16)(H2,13,17,18)	C12H16N2O4S	284.331	6	4	117.87	2	4	0	-1.9464	1.92928	2.01	-1.532	38.6907	68.3459	2.0081	245.612973282578
Cond-011409	NSC105584	105584	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	75.6464240222837	O1C(c2ccc(cc2)C)(C(C(C1COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C	InChI=1S/C21H26O9/c1-12-6-8-17(9-7-12)21(11-27-14(3)23)20(29-16(5)25)19(28-15(4)24)18(30-21)10-26-13(2)22/h6-9,18-20H,10-11H2,1-5H3	C21H26O9	422.426	9	0	114.43	2	11	1	-0.249799999999999	1.19111	2.78	3.307	75.9067	103.472	3.0776	396.816047841852
Cond-011410	NSC105781	105781	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	21.7863497645818	[nH]1c2c(c3c(cc(nc3c(c2)C)C)C(=O)OC)c2ccccc12	InChI=1S/C19H16N2O2/c1-10-8-15-16(12-6-4-5-7-14(12)21-15)17-13(19(22)23-3)9-11(2)20-18(10)17/h4-9,21H,1-3H3	C19H16N2O2	304.343	4	1	54.98	4	2	0	0.6723	4.06352	3.11	4.055	26.523	95.527	2.2813	260.000177299323
Cond-011411	NSC105781	105781	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	[nH]1c2c(c3c(cc(nc3c(c2)C)C)C(=O)OC)c2ccccc12	InChI=1S/C19H16N2O2/c1-10-8-15-16(12-6-4-5-7-14(12)21-15)17-13(19(22)23-3)9-11(2)20-18(10)17/h4-9,21H,1-3H3	C19H16N2O2	304.343	4	1	54.98	4	2	0	0.6723	4.06352	3.11	4.055	26.523	95.527	2.2813	260.000177299323
Cond-011412	NSC105798	105798	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.4253278980872	c1cc(ccc1OC(=O)Oc1ccc(cc1)NC(=O)C)NC(=O)C	InChI=1S/C17H16N2O5/c1-11(20)18-13-3-7-15(8-4-13)23-17(22)24-16-9-5-14(6-10-16)19-12(2)21/h3-10H,1-2H3,(H,18,20)(H,19,21)	C17H16N2O5	328.319	7	2	93.73	2	8	0	-0.7901	3.78077	2.56	3.568	33.3748	95.1194	2.3928	298.291805550873
Cond-011413	NSC105827	105827	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	90.8319261625949	n1c(c2c(cn(c2nc1)C1OC(C(C1O)O)CO)C(=S)N)N	InChI=1S/C12H15N5O4S/c13-9-6-4(10(14)22)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)21-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,22)(H2,13,15,16)	C12H15N5O4S	325.344	9	7	184.76	3	3	0	-2.0148	-1.67671	1.68	-2.186	49.9488	81.1002	2.1559	252.710336505478
Cond-011414	NSC106045	106045	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9694638478509	O1C2(NC(C1)(CO)CO)CCCC2	InChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2	C9H17NO3	187.236	4	3	61.72	2	2	0	-2.8772	-0.4001	2.01	-0.573	40.4349	47.1893	1.4354	176.87484324185
Cond-011415	NSC106208	106208	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.63199001075751	n1c(c(/N=N/c2ccccc2Cl)ccc1N)N	InChI=1S/C11H10ClN5/c12-7-3-1-2-4-8(7)16-17-9-5-6-10(13)15-11(9)14/h1-6H,(H4,13,14,15)	C11H10ClN5	247.684	5	4	89.65	2	2	0	-0.7555	3.11018	2.01	3.318	14.0598	70.3198	1.7617	204.0390300894
Cond-011416	NSC106208	106208	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c(c(/N=N/c2ccccc2Cl)ccc1N)N	InChI=1S/C11H10ClN5/c12-7-3-1-2-4-8(7)16-17-9-5-6-10(13)15-11(9)14/h1-6H,(H4,13,14,15)	C11H10ClN5	247.684	5	4	89.65	2	2	0	-0.7555	3.11018	2.01	3.318	14.0598	70.3198	1.7617	204.0390300894
Cond-011417	NSC106231	106231	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	11.6531610094693	n1(c2ccccc2c(c1C)C(c1c2c(n(c1C)C)cccc2)(C)C(=O)O)C	InChI=1S/C23H24N2O2/c1-14-20(16-10-6-8-12-18(16)24(14)4)23(3,22(26)27)21-15(2)25(5)19-13-9-7-11-17(19)21/h6-13H,1-5H3,(H,26,27)	C23H24N2O2	360.449	4	1	47.16	4	3	1	1.1424	4.87350000000001	3.55	5.151	43.9963	111.3338	2.8449	329.184115802791
Cond-011418	NSC106261	106261	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6407303778977	O=C1C(=C/C(=N/OC)/C(=C1C)C)C	InChI=1S/C10H13NO2/c1-6-5-9(11-13-4)7(2)8(3)10(6)12/h5H,1-4H3/b11-9-	C10H13NO2	179.216	3	0	38.66	1	1	0	1.7469	1.94047	2.23	1.153	52.673	54.285	1.4542	187.191225064756
Cond-011419	NSC106282	106282	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	9.92847883403392	n1(c2ccccc2c(c1C)C(=O)c1ccccc1)C	InChI=1S/C17H15NO/c1-12-16(17(19)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(12)2/h3-11H,1-2H3	C17H15NO	249.307	2	0	22	3	2	1	0.2912	3.75619	3.11	5.434	19.6732	80.23	1.9926	231.514138540462
Cond-011420	NSC106282	106282	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1(c2ccccc2c(c1C)C(=O)c1ccccc1)C	InChI=1S/C17H15NO/c1-12-16(17(19)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(12)2/h3-11H,1-2H3	C17H15NO	249.307	2	0	22	3	2	1	0.2912	3.75619	3.11	5.434	19.6732	80.23	1.9926	231.514138540462
Cond-011421	NSC106461	106461	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	62.984395286846	n1c(c2nnc(s2)c2ncccc2)cccc1	InChI=1S/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H	C12H8N4S	240.284	4	0	79.8	3	2	0	0.5906	3.56928	2.23	2.933	7.7935	70.221	1.6923	187.743293392667
Cond-011422	NSC106464	106464	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3990248075335	O=c1n(c(=O)n(cc1C)C1OC(C(C1)O)CO)Cc1ccccc1	InChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3	C17H20N2O5	332.351	7	2	90.31	3	4	0	-1.6661	0.64338	2.56	1.715	57.784	86.5716	2.4132	304.744722952473
Cond-011423	NSC106506	106506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.357612369677	[nH]1c2cc(ccc2c2c1cccc2)CC(=O)N	InChI=1S/C14H12N2O/c15-14(17)8-9-5-6-11-10-3-1-2-4-12(10)16-13(11)7-9/h1-7,16H,8H2,(H2,15,17)	C14H12N2O	224.258	3	3	58.88	3	2	0	-1.0204	2.50608	2.67	2.579	15.2907	73.4194	1.7127	193.259403571828
Cond-011424	NSC106570	106570	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2802315884622	n1c(nc2[nH]ccc2c1NCc1ccccc1)C	InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)	C14H14N4	238.288	4	2	53.6	3	3	0	-0.7779	3.2418	2.56	3.712	17.2109	73.5647	1.8536	206.462697287601
Cond-011425	NSC106863	106863	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.235370218093	N(=N\c1ccccc1)/c1ccc(cc1C(=O)O)O	InChI=1S/C13H10N2O3/c16-10-6-7-12(11(8-10)13(17)18)15-14-9-4-2-1-3-5-9/h1-8,16H,(H,17,18)	C13H10N2O3	242.23	5	2	82.25	2	3	0	-0.7001	3.37188	2.34	4.163	9.7839	69.5206	1.7548	214.163872347084
Cond-011426	NSC106997	106997	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C(=O)(CCCC(C)C)CCCCCCC(=O)CCN(C(=O)C(N)CO)O.S(=O)(=O)(O)O	InChI=1S/C19H36N2O5.H2O4S/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22;1-5(2,3)4/h15,18,22,26H,3-14,20H2,1-2H3;(H2,1,2,3,4)	C19H38N2O9S	470.578	7	4	120.93	0	17	1	-3.4391	2.45289	2.78	1.218	91.7064	102.8257	3.1498	395.215444409008
Cond-011427	NSC107022	107022	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.003599057717	c1(=O)c2cc(c(c(c2c2c(cc(c(=O)o2)O)o1)O)O)O	InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H	C12H6O8	278.171	8	4	133.52	3	0	0	-2.0842	0.989060000000001	1.9	0.511	41.1753	64.9059	1.6422	220.005500807689
Cond-011428	NSC107522	107522	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.793012703429	O(C(=O)CCC(=O)O)CCN(C(=O)C(Cl)Cl)Cc1ccc(Oc2ccc(cc2)N(=O)=O)cc1	InChI=1S/C21H20Cl2N2O8/c22-20(23)21(29)24(11-12-32-19(28)10-9-18(26)27)13-14-1-5-16(6-2-14)33-17-7-3-15(4-8-17)25(30)31/h1-8,20H,9-13H2,(H,26,27)	C21H20Cl2N2O8	499.298	10	1	136.28	2	14	1	0.8497	4.18158	2.45	3.954	65.0968	124.7738	3.3343	421.632100996091
Cond-011429	NSC107582	107582	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.272981372068	O=C1c2cc(/N=C(\NO)/C(F)(F)F)c(Br)cc2c2c1cc(cc2)N(=O)=O	InChI=1S/C15H7BrF3N3O4/c16-11-4-8-7-2-1-6(22(25)26)3-9(7)13(23)10(8)5-12(11)20-14(21-24)15(17,18)19/h1-5,24H,(H,20,21)	C15H7BrF3N3O4	430.133	7	2	104.83	3	4	0	1.4463	3.91328	1.9	4.152	35.5329	94.3312000000001	2.2716	291.036206634431
Cond-011430	NSC107677	107677	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	22.6001713628642	n1ccccc1C(C1=C(Cc2c1cccc2)CCN(C)C)C.C(=C\C(=O)O)\C(=O)O	InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28N2O4	408.49	2	0	16.13	3	5	1	1.1512	4.36918000000001	3.44	5.137	44.4701	92.8680000000001	2.4994	299.145084626468
Cond-011431	NSC107679	107679	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.803500996049	Clc1c(cc2c(NC(NS2(=O)=O)CC2CCCC2)c1)S(=O)(=O)N	InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)	C13H18ClN3O4S2	379.883	7	4	135.12	3	3	0	-2.0758	3.19229	1.79	1.43	54.8175	82.8728	2.4691	297.905809944645
Cond-011432	NSC10768	10768	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3090294230031	[nH]1c(c(c(c1CO)C(=O)OCC)C)C(=O)OCC	InChI=1S/C12H17NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h13-14H,4-6H2,1-3H3	C12H17NO5	255.267	6	2	88.62	1	7	0	0.2961	0.55002	2.12	1.078	48.6433	66.5393	1.9121	237.253874418173
Cond-011433	NSC107701	107701	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.41496254631	n1(nc(SCc2ccccc2)c(=O)n(c1=O)C(c1ccccc1)c1ccccc1)C	InChI=1S/C24H21N3O2S/c1-26-24(29)27(23(28)22(25-26)30-17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3	C24H21N3O2S	415.507	5	0	78.28	4	6	1	-0.0624	4.45349	3.44	8.971	42.683	120.686	3.1201	378.976508592024
Cond-011434	NSC10772	10772	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.003093657274	NC(=O)NC(C)Cc1ccccc1	InChI=1S/C10H14N2O/c1-8(12-10(11)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12,13)	C10H14N2O	178.231	3	3	55.12	1	4	0	-0.5644	0.88389	2.23	2.98	24.1046	55.1811	1.4953	178.497758572361
Cond-011435	NSC108235	108235	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	72.36670901516	n1c(c(/N=N/c2ccc(cc2)O)ccc1N)N	InChI=1S/C11H11N5O/c12-10-6-5-9(11(13)14-10)16-15-7-1-3-8(17)4-2-7/h1-6,17H,(H4,12,13,14)	C11H11N5O	229.238	6	5	109.88	2	2	0	-1.9601	2.63528	2.01	2.259	11.0088	68.5788	1.698	197.618189019528
Cond-011436	NSC10865	10865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	6.18866390137837	[As]1(=O)(c2ccccc2c2c1cccc2)O	InChI=1S/C12H9AsO2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H,14,15)	C12H9AsO2	260.12	2	1	37.3	3	0	0	-0.1396	1.15669	2.45	4.033	3.7207	58.1783	1.5831	180.920676983489
Cond-011437	NSC10865	10865	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[As]1(=O)(c2ccccc2c2c1cccc2)O	InChI=1S/C12H9AsO2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H,14,15)	C12H9AsO2	260.12	2	1	37.3	3	0	0	-0.1396	1.15669	2.45	4.033	3.7207	58.1783	1.5831	180.920676983489
Cond-011438	NSC108655	108655	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.608018696597	C(=CCC/C(=C\C(=O)N)/C)(C)C	InChI=1S/C10H17NO/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H2,11,12)/b9-7-	C10H17NO	167.248	2	2	43.09	0	4	0	2.0469	2.25067	2.34	1.892	51.3869	54.3194	1.5471	193.393915765795
Cond-011439	NSC108750	108750	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	83.1631991464057	c1ccc(cc1)C1c2ccccc2C(=C1C(=O)N)N	InChI=1S/C16H14N2O/c17-15-12-9-5-4-8-11(12)13(14(15)16(18)19)10-6-2-1-3-7-10/h1-9,13H,17H2,(H2,18,19)	C16H14N2O	250.295	3	4	69.11	3	2	1	-1.4933	2.07639	2.89	5.048	23.7373	76.5488	1.9515	236.114914122762
Cond-011440	NSC108753	108753	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.098829849975	N1c2ccc(cc2C(=C(C#N)C#N)CC1)C	InChI=1S/C13H11N3/c1-9-2-3-13-12(6-9)11(4-5-16-13)10(7-14)8-15/h2-3,6,16H,4-5H2,1H3	C13H11N3	209.247	3	1	59.61	2	0	0	0.6348	2.21448	2.56	1.752	38.2417	61.7907	1.6785	209.689952453567
Cond-011441	NSC108783	108783	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	86.4372567830314	s1c2ccccc2c(c1)C=C1C(=O)NC(=O)NC1=O	InChI=1S/C13H8N2O3S/c16-11-9(12(17)15-13(18)14-11)5-7-6-19-10-4-2-1-3-8(7)10/h1-6H,(H2,14,15,16,17,18)	C13H8N2O3S	272.279	5	2	103.51	3	1	0	-0.0119	0.52357	2.23	1.987	36.7176	69.8274	1.8097	220.316437703884
Cond-011442	NSC108972	108972	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0071508522263	c1cccc2c1S(=O)(=O)C(=C2C)C(=O)N	InChI=1S/C10H9NO3S/c1-6-7-4-2-3-5-8(7)15(13,14)9(6)10(11)12/h2-5H,1H3,(H2,11,12)	C10H9NO3S	223.248	4	2	85.61	2	1	0	-0.5926	1.82218	2.01	1.362	30.0114	57.6414	1.5248	188.597558421317
Cond-011443	NSC109084	109084	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.04681399413208	n1c2ccccc2ccc1OCCN1CC1	InChI=1S/C13H14N2O/c1-2-4-12-11(3-1)5-6-13(14-12)16-10-9-15-7-8-15/h1-6H,7-10H2	C13H14N2O	214.263	3	0	25.13	3	4	0	-0.0944999999999998	2.33439	2.56	2.727	23.3659	64.719	1.6578	192.136336347561
Cond-011444	NSC109084	109084	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccccc2ccc1OCCN1CC1	InChI=1S/C13H14N2O/c1-2-4-12-11(3-1)5-6-13(14-12)16-10-9-15-7-8-15/h1-6H,7-10H2	C13H14N2O	214.263	3	0	25.13	3	4	0	-0.0944999999999998	2.33439	2.56	2.727	23.3659	64.719	1.6578	192.136336347561
Cond-011445	NSC109086	109086	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6606006861587	n1c2ccccc2c(OCCN2CC2)cc1C	InChI=1S/C14H16N2O/c1-11-10-14(17-9-8-16-6-7-16)12-4-2-3-5-13(12)15-11/h2-5,10H,6-9H2,1H3	C14H16N2O	228.29	3	0	25.13	3	4	0	0.345	2.36241	2.67	2.724	29.0984	68.3590000000001	1.7987	209.432320973428
Cond-011446	NSC109128	109128	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	77.0632014957938	O=C1C2(C(C(N3CC3)CC2C2C(C1)C1(CCC(CC1CC2)OC(=O)C)C)C(=O)C)C	InChI=1S/C25H37NO4/c1-14(27)23-21(26-9-10-26)12-20-18-6-5-16-11-17(30-15(2)28)7-8-24(16,3)19(18)13-22(29)25(20,23)4/h16-21,23H,5-13H2,1-4H3	C25H37NO4	415.566	5	0	63.45	5	4	0	-0.112800000000002	3.87299	3.66	3.257	109.7023	115.829	3.2937	417.422071751481
Cond-011447	NSC109174	109174	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.921327836478	n1c2cc(c(cc2cc2c1[nH]c(=O)[nH]c2=O)C)C	InChI=1S/C13H11N3O2/c1-6-3-8-5-9-11(14-10(8)4-7(6)2)15-13(18)16-12(9)17/h3-5H,1-2H3,(H2,14,15,16,17,18)	C13H11N3O2	241.245	5	2	71.09	3	0	0	0.5328	1.56932	2.34	2.247	25.8883	69.4029	1.7303	206.650405854689
Cond-011448	NSC109176	109176	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8276457053774	N1=C/C(=C/NC(=O)N)/C(=O)N1C	InChI=1S/C6H8N4O2/c1-10-5(11)4(3-9-10)2-8-6(7)12/h2-3H,1H3,(H3,7,8,12)/b4-2-	C6H8N4O2	168.153	6	3	87.79	1	2	0	-1.4432	-1.47942	1.46	-0.767	38.972	44.6481	1.19	150.997567185789
Cond-011449	NSC109231	109231	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.159308633456	c1(c(c(=O)[nH]c(c1)C)C(=O)OCC)O	InChI=1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)	C9H11NO4	197.188	5	2	75.63	1	3	0	-0.2036	0.48147	1.9	1.177	49.8065	50.8905	1.4307	187.475693840011
Cond-011450	NSC109292	109292	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	61.1799161255895	O=c1oc(C#CC#CC)ccc1	InChI=1S/C10H6O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,1H3	C10H6O2	158.153	2	0	26.3	1	0	0	2.1138	1.25545	2.34	2.188	48.8104	45.954	1.2254	168.285088754189
Cond-011451	NSC109466	109466	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.005851331443	n1c2ccc(cc2c(cc1CC(=O)OCC)O)C	InChI=1S/C14H15NO3/c1-3-18-14(17)8-10-7-13(16)11-6-9(2)4-5-12(11)15-10/h4-7H,3,8H2,1-2H3,(H,15,16)	C14H15NO3	245.274	4	1	59.42	2	4	0	0.478100000000001	2.7131	2.56	2.746	28.8981	71.6688	1.8819	225.736014166384
Cond-011452	NSC109528	109528	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.437086002152	c1cccc(c1NCCO)C(=O)OC	InChI=1S/C10H13NO3/c1-14-10(13)8-4-2-3-5-9(8)11-6-7-12/h2-5,11-12H,6-7H2,1H3	C10H13NO3	195.215	4	2	58.56	1	5	0	-0.8463	0.84579	2.12	1.645	27.2774	56.3785	1.5129	185.081451765317
Cond-011453	NSC109719	109719	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.293885857802	n1nc(n2c1c1ccccc1cc2)Cl	InChI=1S/C10H6ClN3/c11-10-13-12-9-8-4-2-1-3-7(8)5-6-14(9)10/h1-6H	C10H6ClN3	203.628	3	0	30.19	3	0	0	0.3128	2.94109	2.12	3.745	8.8901	56.544	1.3556	144.1295250472
Cond-011454	NSC109747	109747	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	62.6586758697198	n1c2ccc(cc2c(cc1C)O)C(=O)c1ccccc1	InChI=1S/C17H13NO2/c1-11-9-16(19)14-10-13(7-8-15(14)18-11)17(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)	C17H13NO2	263.291	3	1	50.19	3	2	0	-0.2846	3.9983	3	4.599	13.6431	83.67	2.0083	237.667906540223
Cond-011455	NSC109813	109813	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.354698749387	n1c2c(ccc(c2c(cc1C)O)C)C	InChI=1S/C12H13NO/c1-7-4-5-8(2)12-11(7)10(14)6-9(3)13-12/h4-6H,1-3H3,(H,13,14)	C12H13NO	187.238	2	1	33.12	2	0	0	1.2632	2.90966	2.56	2.997	19.3013	58.32	1.5257	176.200050214328
Cond-011456	NSC109885	109885	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.237447737345	n1cnc(nc1N)N1CCOCC1	InChI=1S/C7H11N5O/c8-6-9-5-10-7(11-6)12-1-3-13-4-2-12/h5H,1-4H2,(H2,8,9,10,11)	C7H11N5O	181.195	6	2	77.16	2	1	0	-0.8444	0.10078	1.57	-0.838	27.588	49.3534	1.3064	149.880085319261
Cond-011457	NSC10995	10995	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.561241433214	Brc1c2c(C(=O)CC2)c(cc1)OC	InChI=1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3	C10H9BrO2	241.081	2	0	26.3	2	1	0	0.6704	2.55499	2.23	1.955	30.6755	56.367	1.4208	172.221625133356
Cond-011458	NSC11023	11023	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.240129734307	c1c(c(ccc1)C)NC(=O)C(=O)Nc1ccccc1C	InChI=1S/C16H16N2O2/c1-11-7-3-5-9-13(11)17-15(19)16(20)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20)	C16H16N2O2	268.31	4	2	58.2	2	5	0	0.0144000000000002	3.86333	2.78	4.202	25.8872	81.6844	2.1188	257.261599524123
Cond-011459	NSC110300	110300	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	42.9611902797869	s1c(nc(c1)C)NC(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)C	InChI=1S/C16H14N4O2S2/c1-9-7-23-15(17-9)19-13(21)11-3-5-12(6-4-11)14(22)20-16-18-10(2)8-24-16/h3-8H,1-2H3,(H,17,19,21)(H,18,20,22)	C16H14N4O2S2	358.438	6	2	140.46	3	6	0	0.7906	5.24861	2.34	3.362	41.935	99.9779	2.4938	290.380250654057
Cond-011460	NSC110332	110332	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.1315452150974	c1cc(ccc1NC(=O)N(C1(CCCCC1)C#N)O)OCC	InChI=1S/C16H21N3O3/c1-2-22-14-8-6-13(7-9-14)18-15(20)19(21)16(12-17)10-4-3-5-11-16/h6-9,21H,2-5,10-11H2,1H3,(H,18,20)	C16H21N3O3	303.356	6	2	85.59	2	6	0	-1.4924	4.20118	2.56	2.191	50.2568	83.4452	2.3633	293.221503834451
Cond-011461	NSC110562	110562	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	93.7178197144699	Brc1c2c(nccc2)c(cc1)OS(=O)(=O)C	InChI=1S/C10H8BrNO3S/c1-16(13,14)15-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3	C10H8BrNO3S	302.144	4	0	64.64	2	2	0	0.5983	2.84959	1.9	1.918	24.2876	60.611	1.6998	196.981177398884
Cond-011462	NSC110899	110899	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.124612965675	o1c2cc(ccc2c(cc1=O)C)OS(=O)(=O)C	InChI=1S/C11H10O5S/c1-7-5-11(12)15-10-6-8(3-4-9(7)10)16-17(2,13)14/h3-6H,1-2H3	C11H10O5S	254.259	5	0	78.05	2	2	0	0.4259	2.98007	2.01	1.224	36.5057	65.486	1.6833	212.477236240139
Cond-011463	NSC111107	111107	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.395848324827	[nH]1c(c(c(=O)nc1SCC)C)C	InChI=1S/C8H12N2OS/c1-4-12-8-9-6(3)5(2)7(11)10-8/h4H2,1-3H3,(H,9,10,11)	C8H12N2OS	184.259	3	1	66.76	1	2	0	1.1223	1.57697	1.9	1.862	50.886	55.8717	1.42	175.951272079028
Cond-011464	NSC111118	111118	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	27.2361746497302	Clc1ccc(cc1)SC(=S)Sc1ccc(Cl)cc1	InChI=1S/C13H8Cl2S3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H	C13H8Cl2S3	331.304	0	0	82.69	2	4	1	3.9638	5.59579	2.34	5.364	39.7517	82.868	2.1574	254.385338243534
Cond-011465	NSC111194	111194	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.227788997142	N1(CCN(c2cccc(Cl)c2)CC1)C(=S)c1ccc(cc1)OC	InChI=1S/C18H19ClN2OS/c1-22-17-7-5-14(6-8-17)18(23)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3	C18H19ClN2OS	346.874	3	0	47.8	3	4	0	1.0164	4.87418	2.89	4.646	50.1106	102.417	2.5622	307.063433903329
Cond-011466	NSC111210	111210	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	22.2624338952084	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1cccc2ccccc12)O	InChI=1S/C23H25ClN2O2/c24-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-21(27)17-28-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,21,27H,12-17H2	C23H25ClN2O2	396.91	4	1	35.94	4	6	1	0.1755	5.08298000000001	3.44	5.48	47.2664	118.0398	3.0103	357.931642274024
Cond-011467	NSC11128	11128	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.778210402116	n1nnn(c1N)C(C)(C)CC(C)(C)C	InChI=1S/C9H19N5/c1-8(2,3)6-9(4,5)14-7(10)11-12-13-14/h6H2,1-5H3,(H2,10,11,13)	C9H19N5	197.281	5	2	69.62	1	3	0	1.7348	2.23698	1.9	2.536	44.7695	57.7054	1.6811	190.674745272034
Cond-011468	NSC11141	11141	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.409057662047	C(C(=O)N)(c1ccccc1)(C)C	InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)	C10H13NO	163.216	2	2	43.09	1	2	0	0.2794	1.68339	2.34	2.846	21.0662	51.9054	1.3955	167.500998364195
Cond-011469	NSC11149	11149	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.84497305630039	Clc1c(cccc1)Cc1ccc(cc1O)O	InChI=1S/C13H11ClO2/c14-12-4-2-1-3-9(12)7-10-5-6-11(15)8-13(10)16/h1-6,8,15-16H,7H2	C13H11ClO2	234.678	2	2	40.46	2	2	0	0.2799	3.95029	2.56	3.499	15.3458	68.113	1.7049	203.864110402223
Cond-011470	NSC11149	11149	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c(cccc1)Cc1ccc(cc1O)O	InChI=1S/C13H11ClO2/c14-12-4-2-1-3-9(12)7-10-5-6-11(15)8-13(10)16/h1-6,8,15-16H,7H2	C13H11ClO2	234.678	2	2	40.46	2	2	0	0.2799	3.95029	2.56	3.499	15.3458	68.113	1.7049	203.864110402223
Cond-011471	NSC11150	11150	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.58369105862628	Clc1ccc(cc1)Cc1ccc(cc1O)O	InChI=1S/C13H11ClO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(15)8-13(10)16/h1-6,8,15-16H,7H2	C13H11ClO2	234.678	2	2	40.46	2	2	0	0.2799	3.95029	2.56	3.499	15.3458	68.113	1.7049	203.864110402223
Cond-011472	NSC11150	11150	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc(cc1)Cc1ccc(cc1O)O	InChI=1S/C13H11ClO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(15)8-13(10)16/h1-6,8,15-16H,7H2	C13H11ClO2	234.678	2	2	40.46	2	2	0	0.2799	3.95029	2.56	3.499	15.3458	68.113	1.7049	203.864110402223
Cond-011473	NSC111552	111552	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	12.9031214658185	c1ccc2c(c1)c(c(cc2O)C(=O)C)O	InChI=1S/C12H10O3/c1-7(13)10-6-11(14)8-4-2-3-5-9(8)12(10)15/h2-6,14-15H,1H3	C12H10O3	202.206	3	2	57.53	2	1	0	-1.1745	2.79258	2.45	2.255	15.8996	62.7228	1.5003	180.147284706484
Cond-011474	NSC111552	111552	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)c(c(cc2O)C(=O)C)O	InChI=1S/C12H10O3/c1-7(13)10-6-11(14)8-4-2-3-5-9(8)12(10)15/h2-6,14-15H,1H3	C12H10O3	202.206	3	2	57.53	2	1	0	-1.1745	2.79258	2.45	2.255	15.8996	62.7228	1.5003	180.147284706484
Cond-011475	NSC111847	111847	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	8.43462734693418	N(=C\c1c(ccc2c1cccc2)O)/c1c(cccc1)O	InChI=1S/C17H13NO2/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20/h1-11,19-20H	C17H13NO2	263.291	3	2	52.82	3	2	1	-0.9548	4.26988	3	5.317	12.6802	84.2078	2.0083	237.667906540223
Cond-011476	NSC111847	111847	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N(=C\c1c(ccc2c1cccc2)O)/c1c(cccc1)O	InChI=1S/C17H13NO2/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20/h1-11,19-20H	C17H13NO2	263.291	3	2	52.82	3	2	1	-0.9548	4.26988	3	5.317	12.6802	84.2078	2.0083	237.667906540223
Cond-011477	NSC112125	112125	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.158848612572	n1c(c2nc(nc(n2)c2ncccc2)c2ncccc2)cccc1	InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H	C18H12N6	312.328	6	0	77.34	4	3	0	0	4.41837	2.78	4.122	0	95.295	2.2932	261.201404002601
Cond-011478	NSC112203	112203	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.75254666017	O1C(C(C(C1Nc1c(cc(c(c1)C)C)C(=O)OC)O)O)CO	InChI=1S/C15H21NO6/c1-7-4-9(15(20)21-3)10(5-8(7)2)16-14-13(19)12(18)11(6-17)22-14/h4-5,11-14,16-19H,6H2,1-3H3	C15H21NO6	311.33	7	4	108.25	2	5	0	-0.667599999999998	-0.651470000000001	2.34	2.045	53.6889	79.4661	2.2849	285.575596295534
Cond-011479	NSC112541	112541	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.0133675244051	O=c1nc([nH]c(c1Cc1c(cccc1)O)c1ccccc1)C	InChI=1S/C18H16N2O2/c1-12-19-17(13-7-3-2-4-8-13)15(18(22)20-12)11-14-9-5-6-10-16(14)21/h2-10,21H,11H2,1H3,(H,19,20,22)	C18H16N2O2	292.332	4	2	61.69	3	3	1	-1.4151	2.84307	3	5.087	34.4563	89.4205	2.249	276.860651374256
Cond-011480	NSC112547	112547	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.16185748017231	[nH]1c(=S)[nH]c(=O)c(c1C)Cc1c2ccccc2ccc1O	InChI=1S/C16H14N2O2S/c1-9-12(15(20)18-16(21)17-9)8-13-11-5-3-2-4-10(11)6-7-14(13)19/h2-7,19H,8H2,1H3,(H2,17,18,20,21)	C16H14N2O2S	298.36	4	3	93.45	3	2	0	0.4087	2.89687	2.67	3.663	44.1993	91.2854	2.1737	263.414164880923
Cond-011481	NSC112547	112547	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c(=S)[nH]c(=O)c(c1C)Cc1c2ccccc2ccc1O	InChI=1S/C16H14N2O2S/c1-9-12(15(20)18-16(21)17-9)8-13-11-5-3-2-4-10(11)6-7-14(13)19/h2-7,19H,8H2,1H3,(H2,17,18,20,21)	C16H14N2O2S	298.36	4	3	93.45	3	2	0	0.4087	2.89687	2.67	3.663	44.1993	91.2854	2.1737	263.414164880923
Cond-011482	NSC112677	112677	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.728215296629	[nH]1c2c(nccc2c2c1cccc2)CCCCO	InChI=1S/C15H16N2O/c18-10-4-3-7-14-15-12(8-9-16-14)11-5-1-2-6-13(11)17-15/h1-2,5-6,8-9,17-18H,3-4,7,10H2	C15H16N2O	240.3	3	2	48.91	3	4	0	-1.1895	2.95439	2.78	2.91	20.8518	75.0968	1.8966	213.191846898495
Cond-011483	NSC11275	11275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6280765166997	O=c1n(c(=O)c2n(c(nc2n1C)OCCCC)C)C	InChI=1S/C12H18N4O3/c1-5-6-7-19-11-13-9-8(14(11)2)10(17)16(4)12(18)15(9)3/h5-7H2,1-4H3	C12H18N4O3	266.296	7	0	67.67	2	4	0	-1.0983	2.01957	2.01	0.776	52.9254	74.607	1.9855	240.30724294075
Cond-011484	NSC11276	11276	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2789883485636	O=c1n(c(=O)c2n(c(nc2n1C)OC(CC)C)C)C	InChI=1S/C12H18N4O3/c1-6-7(2)19-11-13-9-8(14(11)3)10(17)16(5)12(18)15(9)4/h7H,6H2,1-5H3	C12H18N4O3	266.296	7	0	67.67	2	3	0	-0.820999999999999	2.01797	2.01	0.667	54.5982	74.585	1.9855	240.30724294075
Cond-011485	NSC11296	11296	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8169436315519	O=c1n(c(=O)c2n(c(nc2n1C)Oc1ccccc1)C)C	InChI=1S/C14H14N4O3/c1-16-10-11(17(2)14(20)18(3)12(10)19)15-13(16)21-9-7-5-4-6-8-9/h4-8H,1-3H3	C14H14N4O3	286.286	7	0	67.67	3	2	0	-0.585200000000001	3.13376	2.23	1.969	36.4913	82.781	2.0297	243.733377389284
Cond-011486	NSC112965	112965	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.043980116425	FCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O	InChI=1S/C16H14FNO2/c17-12-16(19)18(20)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,20H,12H2	C16H14FNO2	271.286	3	1	40.54	2	5	1	-0.3494	4.01807	2.78	6.393	25.7592	78.8725	2.0367	252.332398166262
Cond-011487	NSC112975	112975	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.4097656101744	N1(CCc2cc3OCOc3cc2C1)C	InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3	C11H13NO2	191.226	3	0	21.7	3	0	0	0.0916000000000003	1.56449	2.34	1.214	29.943	53.908	1.4209	171.510750989822
Cond-011488	NSC11307	11307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.7499074883844	O=c1n(c(=O)c2n(c(nc2n1C)OCCc1ccccc1)C)C	InChI=1S/C16H18N4O3/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3	C16H18N4O3	314.339	7	0	67.67	3	4	0	-0.318	2.46217	2.45	3.114	45.6553	89.845	2.3115	278.325346641018
Cond-011489	NSC113486	113486	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7041625357444	[nH]1c(c(c(=O)nc1NC(=N)N(C)C)C)C	InChI=1S/C9H15N5O/c1-5-6(2)11-9(12-7(5)15)13-8(10)14(3)4/h1-4H3,(H3,10,11,12,13,15)	C9H15N5O	209.248	6	3	80.58	1	3	0	-0.0859000000000008	-0.0901600000000001	1.79	1.631	55.6951	62.2891	1.6538	205.092054570995
Cond-011490	NSC113532	113532	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.152750494966	C(=N)(c1ccccc1)NC#N	InChI=1S/C8H7N3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,(H2,10,11)	C8H7N3	145.161	3	2	59.67	1	2	0	-0.3417	1.14886	2.01	2.92	15.3542	43.5374	1.1686	140.839405426634
Cond-011491	NSC11437	11437	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.839925248394	Clc1cc(c(cc1)O)C(=O)/C=C/c1ccc(cc1)N(C)C	InChI=1S/C17H16ClNO2/c1-19(2)14-7-3-12(4-8-14)5-9-16(20)15-11-13(18)6-10-17(15)21/h3-11,21H,1-2H3/b9-5+	C17H16ClNO2	301.767	3	1	40.54	2	4	0	0.5991	3.79338	2.89	4.385	38.0611	89.2098	2.2823	278.771891712256
Cond-011492	NSC114414	114414	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0603590527694	N(=N\C1C(=O)N(N=C1C)c1ccccc1)/c1ccc(cc1)S(=O)(=O)N	InChI=1S/C16H15N5O3S/c1-11-15(16(22)21(20-11)13-5-3-2-4-6-13)19-18-12-7-9-14(10-8-12)25(17,23)24/h2-10,15H,1H3,(H2,17,23,24)	C16H15N5O3S	357.387	8	2	125.93	3	4	0	-1.8241	2.71736	2.23	3.397	33.9334	93.0404	2.4888	302.558213505185
Cond-011493	NSC114449	114449	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.790002551004	O=c1n(c(c(/N=N/c2ccc(cc2)S(=O)(=O)N)c(=O)n1C)N)C	InChI=1S/C12H14N6O4S/c1-17-10(13)9(11(19)18(2)12(17)20)16-15-7-3-5-8(6-4-7)23(14,21)22/h3-6H,13H2,1-2H3,(H2,14,21,22)	C12H14N6O4S	338.342	10	4	159.9	2	3	0	-2.2027	0.07907	1.57	0.38	49.3283	77.8488	2.2783	281.690638012845
Cond-011494	NSC114490	114490	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.9687940616101	C(=N\Cc1ccccc1)(/c1ccccc1)\NO	InChI=1S/C14H14N2O/c17-16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,17H,11H2,(H,15,16)	C14H14N2O	226.274	3	2	44.62	2	4	1	-1.1495	2.0814	2.67	5.502	15.7886	68.6014	1.8213	216.515862272628
Cond-011495	NSC11470	11470	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.167320558829	c1cc(ccn1)/C=C/c1ccncc1	InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H	C12H10N2	182.221	2	0	25.78	2	2	0	0.4678	2.35539	2.56	3.322	10.3186	55.548	1.4808	173.133666320334
Cond-011496	NSC114831	114831	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.7542289650828	o1c(cc(=O)c(c1CN(C)CC(=O)O)O)CO	InChI=1S/C10H13NO6/c1-11(4-9(14)15)3-8-10(16)7(13)2-6(5-12)17-8/h2,12,16H,3-5H2,1H3,(H,14,15)	C10H13NO6	243.213	7	3	107.3	1	5	0	-1.8089	-0.66583	1.79	-0.987	60.1531	58.7514	1.689	222.352131867
Cond-011497	NSC114997	114997	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.0918471792213	o1c2ccccc2nc1NC(C(=O)OCC)Cc1ccc(cc1)O	InChI=1S/C18H18N2O4/c1-2-23-17(22)15(11-12-7-9-13(21)10-8-12)20-18-19-14-5-3-4-6-16(14)24-18/h3-10,15,21H,2,11H2,1H3,(H,19,20)	C18H18N2O4	326.347	6	2	84.59	3	7	0	-0.8679	4.35887	2.78	3.643	31.9541	94.3905	2.4094	286.177563476179
Cond-011498	NSC11624	11624	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.454834978523	n1c(Sc2ccc(Cl)cc2)c2c(nc1)n(nc2)C	InChI=1S/C12H9ClN4S/c1-17-11-10(6-16-17)12(15-7-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3	C12H9ClN4S	276.745	4	0	68.9	3	2	0	1.4504	3.81656	2.12	2.487	22.0038	70.654	1.8577	205.5908198639
Cond-011499	NSC116339	116339	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	107.030063757048	O=C1/C(=C\O)/CC2(C3C(CC4(C5(OCOC65OCOC6)C(CC4C3C=C(C2=C1)C)C)C)O)C	InChI=1S/C26H34O7/c1-14-5-17-19-6-15(2)26(25(32-13-33-26)11-30-12-31-25)24(19,4)9-21(29)22(17)23(3)8-16(10-27)20(28)7-18(14)23/h5,7,10,15,17,19,21-22,27,29H,6,8-9,11-13H2,1-4H3/b16-10-	C26H34O7	458.544	7	2	94.45	6	0	0	0.237299999999998	3.40916	3.55	2.464	119.6415	120.1006	3.3593	435.099058869264
Cond-011500	NSC116397	116397	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.8823179288604	O1CCOC21CC13C(CC2)C(N(CC1)C)Cc1c3cc(cc1)OC	InChI=1S/C20H27NO3/c1-21-8-7-19-13-20(23-9-10-24-20)6-5-16(19)18(21)11-14-3-4-15(22-2)12-17(14)19/h3-4,12,16,18H,5-11,13H2,1-2H3	C20H27NO3	329.433	4	0	30.93	5	1	0	-0.568	3.23719	3.22	2.794	65.9531	93.4480000000001	2.5305	311.251921921585
Cond-011501	NSC11643	11643	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	40.5367501780947	Clc1nc(c2c(n1)n(nc2)C)N(c1ccccc1)CC	InChI=1S/C14H14ClN5/c1-3-20(10-7-5-4-6-8-10)13-11-9-16-19(2)12(11)17-14(15)18-13/h4-9H,3H2,1-2H3	C14H14ClN5	287.747	5	0	46.84	3	3	0	0.781	4.51217	2.34	3.368	27.4753	82.942	2.0758	232.670525266201
Cond-011502	NSC116508	116508	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.266043296145	C(=O)(c1ccc(cc1)C(=O)NC(C)(C)C)NC(C)(C)C	InChI=1S/C16H24N2O2/c1-15(2,3)17-13(19)11-7-9-12(10-8-11)14(20)18-16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)	C16H24N2O2	276.374	4	2	58.2	1	6	0	0.797599999999998	2.71159	2.78	3.45	53.884	83.9019000000001	2.3564	288.427434327323
Cond-011503	NSC116565	116565	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.322065265123	O=c1n(c(=O)c2sc(nc2[nH]1)C)O	InChI=1S/C6H5N3O3S/c1-2-7-4-3(13-2)5(10)9(12)6(11)8-4/h12H,1H3,(H,8,11)	C6H5N3O3S	199.187	6	2	110.77	2	0	0	-0.5696	1.206	1.35	0.536	31.1409	47.1327	1.2038	144.043599034984
Cond-011504	NSC11664	11664	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	51.5521729143473	n1c(nc2n(ncc2c1NC(C)(C)C)c1ccccc1)CC	InChI=1S/C17H21N5/c1-5-14-19-15(21-17(2,3)4)13-11-18-22(16(13)20-14)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,19,20,21)	C17H21N5	295.382	5	1	55.11	3	4	0	0.3897	4.82807	2.78	4.38	34.5088	92.9787000000001	2.3761	269.347411373368
Cond-011505	NSC116640	116640	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.0538106783933	[nH]1c(c2nccc3ccccc23)c(cc1c1ccccc1)C#N	InChI=1S/C20H13N3/c21-13-16-12-18(15-7-2-1-3-8-15)23-19(16)20-17-9-5-4-6-14(17)10-11-22-20/h1-12,23H	C20H13N3	295.337	3	1	52.47	4	2	1	-0.3857	4.44969	3.33	6.155	9.4986	95.399	2.2756	262.803092629834
Cond-011506	NSC116644	116644	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	46.2005091140948	[nH]1c(c2nccc3ccccc23)ccc1c1ccccc1	InChI=1S/C19H14N2/c1-2-7-15(8-3-1)17-10-11-18(21-17)19-16-9-5-4-6-14(16)12-13-20-19/h1-13,21H	C19H14N2	270.328	2	1	28.68	4	2	1	-0.4204	4.91699	3.33	6.807	3.3	90.2070000000001	2.1209	239.783265197401
Cond-011507	NSC11667	11667	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Brc1ccc(cc1)Nc1nc(c2c(n1)n(nc2)C)Nc1ccc(Br)cc1	InChI=1S/C18H14Br2N6/c1-26-17-15(10-21-26)16(22-13-6-2-11(19)3-7-13)24-18(25-17)23-14-8-4-12(20)5-9-14/h2-10H,1H3,(H2,22,23,24,25)	C18H14Br2N6	474.152	6	2	67.66	4	4	1	1.0523	7.79125	2.56	5.034	32.3929	114.7624	2.7292	305.041559359335
Cond-011508	NSC11667	11667	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.8952572254533	Brc1ccc(cc1)Nc1nc(c2c(n1)n(nc2)C)Nc1ccc(Br)cc1	InChI=1S/C18H14Br2N6/c1-26-17-15(10-21-26)16(22-13-6-2-11(19)3-7-13)24-18(25-17)23-14-8-4-12(20)5-9-14/h2-10H,1H3,(H2,22,23,24,25)	C18H14Br2N6	474.152	6	2	67.66	4	4	1	1.0523	7.79125	2.56	5.034	32.3929	114.7624	2.7292	305.041559359335
Cond-011509	NSC11668	11668	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	21.7843153184212	c1(nc(c2c(n1)n(nc2)C)Nc1cccc(c1)Cl)Nc1cccc(c1)Cl	InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)	C18H14Cl2N6	385.25	6	2	67.66	4	4	0	0.7633	7.57305	2.56	4.358	26.4259	109.3824	2.624	296.896456945068
Cond-011510	NSC116702	116702	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	95.9515772733224	o1c(nc(c1c1ccccc1)c1ccc(cc1)C)c1nccc2ccccc12	InChI=1S/C25H18N2O/c1-17-11-13-19(14-12-17)22-24(20-8-3-2-4-9-20)28-25(27-22)23-21-10-6-5-7-18(21)15-16-26-23/h2-16H,1H3	C25H18N2O	362.423	3	0	38.92	5	3	1	0.4879	7.2074	3.88	9.412	7.1212	116.486	2.7874	321.183564849963
Cond-011511	NSC116709	116709	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	48.8677848754849	N1(c2ccccc2C=CC1CC(=O)c1ccccc1)C(=O)c1ccccc1	InChI=1S/C24H19NO2/c26-23(19-10-3-1-4-11-19)17-21-16-15-18-9-7-8-14-22(18)25(21)24(27)20-12-5-2-6-13-20/h1-16,21H,17H2	C24H19NO2	353.413	3	0	37.38	4	5	1	-0.4464	5.31457	3.77	8.04	31.0532	110.2885	2.757	338.473964118091
Cond-011512	NSC117028	117028	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.6562846702588	n1c2c(c(cc(Br)c2ccc1)CN1CCN(c2ccccc2)CC1)O	InChI=1S/C20H20BrN3O/c21-18-13-15(20(25)19-17(18)7-4-8-22-19)14-23-9-11-24(12-10-23)16-5-2-1-3-6-16/h1-8,13,25H,9-12,14H2	C20H20BrN3O	398.296	4	1	39.6	4	3	0	0.512900000000001	4.58328	3.11	4.016	40.5207	107.127	2.6813	312.322773111163
Cond-011513	NSC117028	117028	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1c2c(c(cc(Br)c2ccc1)CN1CCN(c2ccccc2)CC1)O	InChI=1S/C20H20BrN3O/c21-18-13-15(20(25)19-17(18)7-4-8-22-19)14-23-9-11-24(12-10-23)16-5-2-1-3-6-16/h1-8,13,25H,9-12,14H2	C20H20BrN3O	398.296	4	1	39.6	4	3	0	0.512900000000001	4.58328	3.11	4.016	40.5207	107.127	2.6813	312.322773111163
Cond-011514	NSC117197	117197	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	104.278906658528	O=c1n(c(=O)c2NC3(Nc2n1C)C(=O)Nc1c3cccc1)C	InChI=1S/C14H13N5O3/c1-18-10-9(11(20)19(2)13(18)22)16-14(17-10)7-5-3-4-6-8(7)15-12(14)21/h3-6,16-17H,1-2H3,(H,15,21)	C14H13N5O3	299.285	8	3	93.78	4	0	0	-1.9719	0.15098	2.12	1.716	50.3067	78.6801	2.0209	253.273678896651
Cond-011515	NSC117268	117268	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.670093699497	N1=C(N(C(N=C1N)c1ccc(Cl)cc1)c1ccc(cc1)S(=O)(=O)N)N	InChI=1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21)	C15H15ClN6O2S	378.837	8	6	148.54	3	3	0	-1.689	1.30839	2.01	2.2	39.6656	92.6502	2.5544	305.316288858157
Cond-011516	NSC117386	117386	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.031853004019	n1[nH]cc(n1)C/C(=N/O)/C(=O)O	InChI=1S/C5H6N4O3/c10-5(11)4(8-12)1-3-2-6-9-7-3/h2,12H,1H2,(H,10,11)(H,6,7,9)/b8-4-	C5H6N4O3	170.126	7	3	111.46	1	3	0	-0.8473	-0.98601	1.24	-0.334	23.9494	40.6193	1.1078	131.591809260484
Cond-011517	NSC117446	117446	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.476617491831	C1(C(SC(N1)(C)CC(=O)OCC)(C)C)C(=O)O	InChI=1S/C11H19NO4S/c1-5-16-7(13)6-11(4)12-8(9(14)15)10(2,3)17-11/h8,12H,5-6H2,1-4H3,(H,14,15)	C11H19NO4S	261.338	5	2	100.93	1	5	0	0.735099999999999	1.45789	2.01	1.571	64.4343	69.1275	1.962	245.849604550945
Cond-011518	NSC117554	117554	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	54.011702662886	C1CC(CCC1=O)(c1ccccc1)c1ccccc1	InChI=1S/C18H18O/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2	C18H18O	250.335	1	0	17.07	3	2	1	-0.4392	4.11699	3.33	7.848	26.7957	79.4490000000001	2.0767	251.349821658962
Cond-011519	NSC117741	117741	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.605984771439	n1c(Oc2cccnc2)c(ccc1)N(=O)=O	InChI=1S/C10H7N3O3/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8/h1-7H	C10H7N3O3	217.181	6	0	78.15	2	3	0	0.506	3.09878	1.9	2.279	5.5091	60.246	1.4749	175.90913737845
Cond-011520	NSC117908	117908	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	44.4295881016207	s1c2ccccc2nc1SCCNc1ccccc1	InChI=1S/C15H14N2S2/c1-2-6-12(7-3-1)16-10-11-18-15-17-13-8-4-5-9-14(13)19-15/h1-9,16H,10-11H2	C15H14N2S2	286.415	2	1	78.46	3	5	0	0.784	4.96337	2.67	4.984	28.3114	83.1117	2.1219	238.783209612334
Cond-011521	NSC117922	117922	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.674254955498	n1c(c(ncc1)C(=O)O)C(=O)NC(=O)N	InChI=1S/C7H6N4O4/c8-7(15)11-5(12)3-4(6(13)14)10-2-1-9-3/h1-2H,(H,13,14)(H3,8,11,12,15)	C7H6N4O4	210.147	8	4	135.27	1	4	0	-0.991	-1.04831	1.35	-1.384	22.1034	49.0624	1.3623	169.701087811178
Cond-011522	NSC117987	117987	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3990297176191	O=C1c2c(Sc3ccccc3)c(ccc2C(=O)c2c1cccc2)C(=O)O	InChI=1S/C21H12O4S/c22-18-13-8-4-5-9-14(13)19(23)17-15(18)10-11-16(21(24)25)20(17)26-12-6-2-1-3-7-12/h1-11H,(H,24,25)	C21H12O4S	360.383	4	1	96.74	4	3	1	-0.1768	3.71288	3.22	5.319	25.7048	95.9468000000001	2.5154	311.678727491046
Cond-011523	NSC11826	11826	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.480569223699	n1c(=O)c2nn([nH]c2nc1N)c1ccccc1	InChI=1S/C10H8N6O/c11-10-12-8-7(9(17)13-10)14-16(15-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,17)	C10H8N6O	228.21	7	3	95.44	3	1	0	-1.9431	0.0746500000000001	1.79	1.739	31.4409	69.6681	1.5483	189.862505901028
Cond-011524	NSC118628	118628	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.79577312834	O=C1c2c(c(ccc2)O)C(C2C(C=CCC12)OC(=O)C)O	InChI=1S/C16H16O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,16,18,20H,5H2,1H3	C16H16O5	288.295	5	2	83.83	3	2	0	-1.287	1.99018	2.67	0.756	50.5955	78.5683	2.0727	265.455217910273
Cond-011525	NSC118723	118723	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	34.4180755466013	[nH]1c2ccccc2cc/c/1=N/N=C1CCCCC1	InChI=1S/C15H17N3/c1-2-7-13(8-3-1)17-18-15-11-10-12-6-4-5-9-14(12)16-15/h4-6,9-11H,1-3,7-8H2,(H,16,18)	C15H17N3	239.316	3	1	36.75	3	1	0	-1.0155	3.45657	2.78	4.657	43.3784	77.6217	1.9377	237.198380406101
Cond-011526	NSC11881	11881	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.961413127587	c1cc(cc2c1N(c1ccc(cc1S2)N(C)C)C(=O)c1ccccc1)N(C)C	InChI=1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3	C23H23N3OS	389.513	4	0	52.09	4	4	1	0.391399999999999	5.19027	3.44	5.883	43.8178	117.67	3.0065	358.163214667197
Cond-011527	NSC118818	118818	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	56.8264831597784	N1(CC2C3C(=O)N(C(=O)C3C1C(=C2)C#N)c1ccccc1)Cc1ccccc1	InChI=1S/C23H19N3O2/c24-12-16-11-17-14-25(13-15-7-3-1-4-8-15)21(16)20-19(17)22(27)26(23(20)28)18-9-5-2-6-10-18/h1-11,17,19-21H,13-14H2	C23H19N3O2	369.416	5	0	64.41	3	3	0	-1.0609	2.93637	3.44	3.875	53.4464	104.657	2.7501	344.351499908558
Cond-011528	NSC118832	118832	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.132201913745	n1cc(sc1CO)c1ccccc1	InChI=1S/C10H9NOS/c12-7-10-11-6-9(13-10)8-4-2-1-3-5-8/h1-6,12H,7H2	C10H9NOS	191.25	2	1	61.36	2	2	0	0.1419	2.4712	2.23	2.685	15.0703	54.9078	1.4074	160.117105020195
Cond-011529	NSC11891	11891	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.003233928424	c1c2c(ccc1)sc(n2)SCC(=O)O	InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)	C9H7NO2S2	225.287	3	1	103.73	2	3	0	0.7396	2.54517	1.9	2.009	27.3683	57.9158	1.4887	170.120371152489
Cond-011530	NSC11912	11912	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	111.786496876267	n1c2ccccc2ccc1/C=C/c1ccc(cc1)N(C)C	InChI=1S/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3	C19H18N2	274.36	2	0	16.13	3	3	1	0.6856	4.58478	3.33	6.122	24.61	90.6270000000001	2.2725	265.676182599001
Cond-011531	NSC119805	119805	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	109.122045476194	c1c(c(ccc1)O)/C=N/N=C/C=C/c1ccccc1N(=O)=O	InChI=1S/C16H13N3O3/c20-16-10-4-2-7-14(16)12-18-17-11-5-8-13-6-1-3-9-15(13)19(21)22/h1-12,20H/b8-5?,17-11?,18-12+	C16H13N3O3	295.293	6	1	88.09	2	5	1	0.4925	3.55437	2.56	5.812	31.8001	89.0588	2.1913	271.775669031251
Cond-011532	NSC11991	11991	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	38.6503666932597	O=C1C2C(=NN=C2c2c1cccc2)C(C)(C)C	InChI=1S/C14H14N2O/c1-14(2,3)13-10-11(15-16-13)8-6-4-5-7-9(8)12(10)17/h4-7,10H,1-3H3	C14H14N2O	226.274	3	0	41.79	3	1	0	0.9365	2.56998	2.67	3.154	41.3006	71.526	1.7557	217.695862272628
Cond-011533	NSC119969	119969	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6775444947544	n1c(cc(c2ccc(nc12)OC)C)C	InChI=1S/C11H12N2O/c1-7-6-8(2)12-11-9(7)4-5-10(13-11)14-3/h4-6H,1-3H3	C11H12N2O	188.226	3	0	35.01	2	1	0	1.0297	2.61424	2.34	2.797	18.5504	55.984	1.4846	169.900825796628
Cond-011534	NSC12028	12028	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.622263780689	N1(c2ccccc2CCC1)C(=O)NC(=O)C(CC)CC=C	InChI=1S/C17H22N2O2/c1-3-8-13(4-2)16(20)18-17(21)19-12-7-10-14-9-5-6-11-15(14)19/h3,5-6,9,11,13H,1,4,7-8,10,12H2,2H3,(H,18,20,21)	C17H22N2O2	286.369	4	1	49.41	2	7	0	-0.576699999999998	3.32897	2.89	4.567	54.8178	87.2507000000001	2.3457	290.73050155159
Cond-011535	NSC120286	120286	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.92328293085	n1c(c(ccc1)C)NC(=O)c1nnsc1	InChI=1S/C9H8N4OS/c1-6-3-2-4-10-8(6)11-9(14)7-5-15-13-12-7/h2-5H,1H3,(H,10,11,14)	C9H8N4OS	220.251	5	1	96.01	2	3	0	0.5978	1.83661	1.79	1.685	20.7371	59.2697	1.5229	173.174942318028
Cond-011536	NSC120289	120289	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.172053144275	n1nc(c(s1)c1ccc(c2snnc2C(=O)OCC)cc1)C(=O)OCC	InChI=1S/C16H14N4O4S2/c1-3-23-15(21)11-13(25-19-17-11)9-5-7-10(8-6-9)14-12(18-20-26-14)16(22)24-4-2/h5-8H,3-4H2,1-2H3	C16H14N4O4S2	390.437	8	0	160.64	3	8	0	1.7044	3.14219	2.12	3.314	48.1514	100.9505	2.6112	307.960704055179
Cond-011537	NSC120290	120290	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.471672122412	n1nc(c(s1)c1ccc(c2snnc2C(=O)N)cc1)C(=O)N	InChI=1S/C12H8N6O2S2/c13-11(19)7-9(21-17-15-7)5-1-2-6(4-3-5)10-8(12(14)20)16-18-22-10/h1-4H,(H2,13,19)(H2,14,20)	C12H8N6O2S2	332.361	8	4	194.22	3	4	0	-0.0884	0.98659	1.68	0.37	30.47	86.0733	2.1298	243.189832566923
Cond-011538	NSC120307	120307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2750323426897	[nH]1c(nc2[nH]nc(c2c1=O)N)c1ccccc1	InChI=1S/C11H9N5O/c12-8-7-10(16-15-8)13-9(14-11(7)17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)	C11H9N5O	227.222	6	4	96.16	3	1	0	-1.7704	0.602970000000001	2.01	1.824	21.1622	68.4151	1.5894	185.261730318728
Cond-011539	NSC120312	120312	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3486311151457	n12n(c(=O)c(c1C)CCO)CCCC2	InChI=1S/C10H16N2O2/c1-8-9(4-7-13)10(14)12-6-3-2-5-11(8)12/h13H,2-7H2,1H3	C10H16N2O2	196.246	4	1	43.78	2	2	0	-1.1026	0.65588	2.12	-0.437	51.4744	55.0288	1.5314	191.104443973722
Cond-011540	NSC120622	120622	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	100.056168955086	O(c1ccc(cc1)NC(=O)C)CCOc1ccc(cc1)N(=O)=O	InChI=1S/C16H16N2O5/c1-12(19)17-13-2-6-15(7-3-13)22-10-11-23-16-8-4-14(5-9-16)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)	C16H16N2O5	316.309	7	1	90.7	2	8	0	-0.2498	4.20477	2.45	3.627	29.4185	92.2527000000001	2.2949	283.632279625806
Cond-011541	NSC120631	120631	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	88.9276645873143	O(c1ccc(cc1)C(=O)O)CCOc1ccccc1	InChI=1S/C15H14O4/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)	C15H14O4	258.269	4	1	55.76	2	6	0	-0.5248	3.31178	2.67	3.942	19.8819	75.9158000000001	1.9387	238.189006583845
Cond-011542	NSC120844	120844	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.9479796389292	O=c1n(n(c(c1)C)C(CC)C)C(CC)C	InChI=1S/C12H22N2O/c1-6-9(3)13-11(5)8-12(15)14(13)10(4)7-2/h8-10H,6-7H2,1-5H3	C12H22N2O	210.316	3	0	23.55	1	4	0	-0.739399999999999	2.70648	2.45	2.237	61.857	64.921	1.8631	229.262645225695
Cond-011543	NSC120913	120913	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.1952226086314	O=C1NC(=O)C(C(=O)N1)(C1=CCCCC1)CCC=C	InChI=1S/C14H18N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h2,7H,1,3-6,8-9H2,(H2,15,16,17,18,19)	C14H18N2O3	262.304	5	2	75.27	2	4	0	-0.204800000000001	1.25577	2.45	2.379	66.1494	72.4104	2.0247	261.16923307535
Cond-011544	NSC120961	120961	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.206703432778	O(C(=O)c1ccc(cc1)N(=O)=O)CCNC(CC)CC	InChI=1S/C14H20N2O4/c1-3-12(4-2)15-9-10-20-14(17)11-5-7-13(8-6-11)16(18)19/h5-8,12,15H,3-4,9-10H2,1-2H3	C14H20N2O4	280.32	6	1	81.47	1	9	0	-0.351999999999999	2.35719	2.34	3.454	43.9246	80.6467000000001	2.192	271.415918476712
Cond-011545	NSC121182	121182	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.396323648048	n1c(c2ncn(c2nc1)C1OC(C(C1N)O)CO)N	InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)	C10H14N6O3	266.257	9	6	145.33	3	2	0	-2.5687	-1.48961	1.57	-1.876	36.1739	66.2834	1.7947	204.45233540455
Cond-011546	NSC121268	121268	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.222223734164	N12C3N(C(=O)CC3)CCC1c1ccc(cc1CC2)OC	InChI=1S/C16H20N2O2/c1-20-12-2-3-13-11(10-12)6-8-17-14(13)7-9-18-15(17)4-5-16(18)19/h2-3,10,14-15H,4-9H2,1H3	C16H20N2O2	272.342	4	0	32.78	4	1	0	-0.853999999999999	1.83939	2.78	1.71	48.4793	77.962	2.0736	253.994516925723
Cond-011547	NSC121781	121781	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	95.0812758556464	c1(ccc(cc1)C(=O)C(=O)c1ccc(cc1)N)N	InChI=1S/C14H12N2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,15-16H2	C14H12N2O2	240.257	4	4	86.18	2	3	0	-2.0274	1.88499	2.56	2.002	19.1362	73.3913	1.837	222.669630272389
Cond-011548	NSC121868	121868	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	15.478176300117	O=C1N2C3C4C(OCC=C5C4CC4N(C5)CCC34c3c2cccc3)/C/1=C/c1ccccc1	InChI=1S/C28H26N2O2/c31-27-20(14-17-6-2-1-3-7-17)25-24-19-15-23-28(11-12-29(23)16-18(19)10-13-32-25)21-8-4-5-9-22(21)30(27)26(24)28/h1-10,14,19,23-26H,11-13,15-16H2/b20-14-	C28H26N2O2	422.518	4	0	32.78	8	1	1	-0.5467	3.76337	4.1	5.804	72.3857	125.122	3.115	388.038204128925
Cond-011549	NSC121908	121908	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.312518068989	O=C1N(c2ccc(OCCCCC)cc2)C(=S)NCC1C	InChI=1S/C16H22N2O2S/c1-3-4-5-10-20-14-8-6-13(7-9-14)18-15(19)12(2)11-17-16(18)21/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,21)	C16H22N2O2S	306.423	4	1	73.66	2	6	0	-0.500899999999998	3.87378	2.67	3.595	57.9061	92.3797	2.4113	294.579999684123
Cond-011550	NSC122131	122131	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.85863519859809	n1c2c(ccc(c2ccc1)C=O)O	InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H	C10H7NO2	173.168	3	1	50.19	2	1	0	-0.6527	2.09188	2.23	1.505	8.8585	54.236	1.2596	147.761848962356
Cond-011551	NSC122131	122131	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2c(ccc(c2ccc1)C=O)O	InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H	C10H7NO2	173.168	3	1	50.19	2	1	0	-0.6527	2.09188	2.23	1.505	8.8585	54.236	1.2596	147.761848962356
Cond-011552	NSC122253	122253	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.048135483833	O=c1n2c3C4(C5N(CC4)C(=O)C(C5)c3cc1)c1ccccc21	InChI=1S/C18H14N2O2/c21-15-6-5-10-11-9-14-18(7-8-19(14)17(11)22)12-3-1-2-4-13(12)20(15)16(10)18/h1-6,11,14H,7-9H2	C18H14N2O2	290.316	4	0	40.62	6	0	0	-1.1252	2.34266	3	0.993	56.8085	83.124	2.0092	255.964192673456
Cond-011553	NSC122276	122276	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.663877042174	c1cnc2c(c1)OCC(=O)N2	InChI=1S/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)	C7H6N2O2	150.135	4	1	51.22	2	0	0	-0.9907	1.24648	1.79	0.164	13.6226	41.8477	1.0227	123.043572694522
Cond-011554	NSC122280	122280	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.788036270318	c1ccc2c(c1)nc1n2C(=O)CSC1	InChI=1S/C10H8N2OS/c13-10-6-14-5-9-11-7-3-1-2-4-8(7)12(9)10/h1-4H,5-6H2	C10H8N2OS	204.248	3	0	60.19	3	0	0	-0.2344	2.41728	2.12	2.063	24.5092	61.135	1.3986	158.757406527561
Cond-011555	NSC122297	122297	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0994854235639	N1(NC(=CC1)N)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C10H13N3O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12-13/h2-6,12H,7,11H2,1H3	C10H13N3O2S	239.294	5	3	83.81	2	2	0	-0.9761	0.4637	1.9	1.701	37.2374	54.8061	1.7087	204.437310837889
Cond-011556	NSC122376	122376	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	85.6989621273324	O1C(c2cc3ccccc3cc2)(CCC1=O)C	InChI=1S/C15H14O2/c1-15(9-8-14(16)17-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3	C15H14O2	226.27	2	0	26.3	3	1	1	0.3539	3.28479	2.89	5.457	23.3282	69.091	1.7557	210.888553182723
Cond-011557	NSC122385	122385	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.521819592048	s1c2ccc(cc2nc1C)S(=O)(=O)NC(=O)C	InChI=1S/C10H10N2O3S2/c1-6(13)12-17(14,15)8-3-4-10-9(5-8)11-7(2)16-10/h3-5H,1-2H3,(H,12,13)	C10H10N2O3S2	270.328	5	1	112.75	2	3	0	-0.4082	2.3568	1.79	0.997	35.1997	64.5087	1.7881	207.203342687084
Cond-011558	NSC12262	12262	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.333997491893	N1(CCN(CC1)Cc1c2ccccc2ccc1O)C(=O)OCC	InChI=1S/C18H22N2O3/c1-2-23-18(22)20-11-9-19(10-12-20)13-16-15-6-4-3-5-14(15)7-8-17(16)21/h3-8,21H,2,9-13H2,1H3	C18H22N2O3	314.379	5	1	53.01	3	5	0	-0.1204	2.50329	2.89	3.488	47.8069	94.268	2.4367	293.560254177218
Cond-011559	NSC122819	122819	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	97.176041511954	s1c([C@@H]2OC[C@@H]3O[C@@H](O[C@H]4[C@@H]5[C@@H]([C@H](c6cc(c(c(c6)OC)O)OC)c6cc7OCOc7cc46)C(=O)OC5)[C@H]([C@H]([C@H]3O2)O)O)ccc1	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21?,23+,24-,26?,27?,28+,29?,31+,32?/m0/s1	C32H32O13S	656.654	13	3	189.07	8	6	0	-2.3208	2.30098000000001	3.44	1.374	93.2767	155.5824	4.28820000000001	539.530139979829
Cond-011560	NSC122987	122987	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.53966197926642	C12C3C1/C(=N/N=C/1\C4C5C4CC1C5)/C(C2)C3	InChI=1S/C14H16N2/c1-5-2-8-7(1)11(8)13(5)15-16-14-6-3-9-10(4-6)12(9)14/h5-12H,1-4H2/b15-13-,16-14+	C14H16N2	212.29	2	0	24.72	2	1	0	-1.7648	2.15038	2.78	1.57	58.3654	62.888	1.5432	193.282094272867
Cond-011561	NSC122987	122987	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C12C3C1/C(=N/N=C/1\C4C5C4CC1C5)/C(C2)C3	InChI=1S/C14H16N2/c1-5-2-8-7(1)11(8)13(5)15-16-14-6-3-9-10(4-6)12(9)14/h5-12H,1-4H2/b15-13-,16-14+	C14H16N2	212.29	2	0	24.72	2	1	0	-1.7648	2.15038	2.78	1.57	58.3654	62.888	1.5432	193.282094272867
Cond-011562	NSC123141	123141	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.191808368508	S=c1[nH]c(=O)c(c[nH]1)CC(=O)OCC	InChI=1S/C8H10N2O3S/c1-2-13-6(11)3-5-4-9-8(14)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,14)	C8H10N2O3S	214.242	5	2	99.52	1	4	0	0.1955	-0.0121200000000002	1.68	0.143	52.0466	56.1824	1.4944	190.89526677935
Cond-011563	NSC123389	123389	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	40.8201463584842	N12C(c3cc4OCOc4cc3CC1)Cc1ccc(c(c1C2)OC)O	InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3	C19H19NO4	325.358	5	1	51.16	5	1	0	-0.510800000000001	3.03049	3	1.956	42.39	90.995	2.3193	283.936787893879
Cond-011564	NSC123418	123418	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	28.2748872971615	O1C(C2C3NC4=C(C(=O)C(=O)C=C4C43C3N(CC4)CC(=CC1)C2C3)N(=O)=O)CC(=O)OC	InChI=1S/C22H23N3O7/c1-31-16(27)8-14-17-11-6-15-22(3-4-24(15)9-10(11)2-5-32-14)12-7-13(26)20(28)19(25(29)30)18(12)23-21(17)22/h2,7,11,14-15,17,21,23H,3-6,8-9H2,1H3	C22H23N3O7	441.434	10	1	128.08	6	4	0	-0.686300000000001	-0.00513999999999992	2.78	0.161	108.2627	111.8117	2.9661	390.996024887896
Cond-011565	NSC123458	123458	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.965426847044	N1c2c(C=Cc3ccccc13)cccc2	InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H	C14H11N	193.244	1	1	12.03	3	0	1	0.0473999999999999	4.40519	2.89	5.01	13.6186	64.5457	1.5542	184.3724166631
Cond-011566	NSC123527	123527	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	11.3592996354211	S(C1(c2cccc3ccccc23)c2ccccc2c2c1cccc2)CC(C(=O)O)N	InChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)	C26H21NO2S	411.515	3	3	88.62	5	5	1	-0.8295	4.73299	3.88	7.338	29.5729	125.2602	3.09370000000001	368.318498726624
Cond-011567	NSC123797	123797	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.576376238614	n1n(cc(c1N)C#N)C(C)C	InChI=1S/C7H10N4/c1-5(2)11-4-6(3-8)7(9)10-11/h4-5H,1-2H3,(H2,9,10)	C7H10N4	150.181	4	2	67.63	1	1	0	-0.649799999999999	1.38928	1.79	-0.102	28.514	44.2984	1.2135	139.813098410534
Cond-011568	NSC124146	124146	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.1970076142803	N1CC(NC21c1ccccc1N(C2=O)C(=O)C)C	InChI=1S/C13H15N3O2/c1-8-7-14-13(15-8)10-5-3-4-6-11(10)16(9(2)17)12(13)18/h3-6,8,14-15H,7H2,1-2H3	C13H15N3O2	245.277	5	2	61.44	3	1	0	-1.5567	0.78839	2.34	1.679	40.7168	70.0424	1.8163	222.823323256289
Cond-011569	NSC124818	124818	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	7.38096833105018	Brc1ccc2[nH]cc(c2c1)/C=N/N1C(=S)SCC1=O	InChI=1S/C12H8BrN3OS2/c13-8-1-2-10-9(3-8)7(4-14-10)5-15-16-11(17)6-19-12(16)18/h1-5,14H,6H2	C12H8BrN3OS2	354.245	4	1	105.85	3	2	0	1.4822	3.68177	2.01	2.611	52.1806	91.615	2.0327	236.865861621028
Cond-011570	NSC124818	124818	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Brc1ccc2[nH]cc(c2c1)/C=N/N1C(=S)SCC1=O	InChI=1S/C12H8BrN3OS2/c13-8-1-2-10-9(3-8)7(4-14-10)5-15-16-11(17)6-19-12(16)18/h1-5,14H,6H2	C12H8BrN3OS2	354.245	4	1	105.85	3	2	0	1.4822	3.68177	2.01	2.611	52.1806	91.615	2.0327	236.865861621028
Cond-011571	NSC12488	12488	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	39.1047465355224	Clc1cc2nccc(c2cc1)Nc1ccc(cc1)O	InChI=1S/C15H11ClN2O/c16-10-1-6-13-14(7-8-17-15(13)9-10)18-11-2-4-12(19)5-3-11/h1-9,19H,(H,17,18)	C15H11ClN2O	270.714	3	2	45.15	3	2	0	-0.1364	5.71327	2.67	3.642	11.4802	81.8457	1.933	223.129997267328
Cond-011572	NSC125043	125043	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9050733629321	n1ncn(/N=C/c2ccc3CCCc3c2)c1	InChI=1S/C12H12N4/c1-2-11-5-4-10(6-12(11)3-1)7-15-16-8-13-14-9-16/h4-9H,1-3H2	C12H12N4	212.25	4	0	43.07	3	2	0	-0.1842	2.05419	2.34	4.712	23.0914	62.522	1.6148	185.407186736667
Cond-011573	NSC125095	125095	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6778606044839	O(C(=O)c1ccc2c(c1)c(cc(n2)c1ccc(cc1)S(=O)(=O)F)O)CC	InChI=1S/C18H14FNO5S/c1-2-25-18(22)12-5-8-15-14(9-12)17(21)10-16(20-15)11-3-6-13(7-4-11)26(19,23)24/h3-10H,2H2,1H3,(H,20,21)	C18H14FNO5S	375.371	6	1	101.94	3	5	0	-0.4251	5.31567	2.56	3.177	28.9897	100.504	2.5065	305.91115417568
Cond-011574	NSC125197	125197	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.131042725297	C(=N)(Nc1ccc(cc1)O)NC(=N)N	InChI=1S/C8H11N5O/c9-7(10)13-8(11)12-5-1-3-6(14)4-2-5/h1-4,14H,(H6,9,10,11,12,13)	C8H11N5O	193.206	6	7	118.01	1	4	1	-0.888	0.81945	1.68	1.364	22.464	56.235	1.4699	174.259611244328
Cond-011575	NSC125344	125344	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.3281598995379	ClC1=CC2(C(=C(C1=O)C)C1OC(=O)C(C1CC2)C)C	InChI=1S/C15H17ClO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h6-7,9,13H,4-5H2,1-3H3	C15H17ClO3	280.747	3	0	43.37	3	0	0	1.7287	3.07237	2.67	2.622	73.0476	74.221	2.0228	261.962765055317
Cond-011576	NSC12544	12544	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	53.3794459155387	Clc1ccc(OS(=O)(=O)c2c3ncccc3ccc2)cc1	InChI=1S/C15H10ClNO3S/c16-12-6-8-13(9-7-12)20-21(18,19)14-5-1-3-11-4-2-10-17-15(11)14/h1-10H	C15H10ClNO3S	319.763	4	0	64.64	3	3	0	0.3515	4.67058	2.45	3.432	15.6074	78.766	2.1141	248.222714517884
Cond-011577	NSC125605	125605	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	88.5362998932785	N(=N\Nc1ccccc1OC)/c1ccccc1OC	InChI=1S/C14H15N3O2/c1-18-13-9-5-3-7-11(13)15-17-16-12-8-4-6-10-14(12)19-2/h3-10H,1-2H3,(H,15,16)	C14H15N3O2	257.288	5	1	55.21	2	5	0	-0.1941	3.60998	2.45	3.978	21.8458	75.7567	1.9798	236.302849181356
Cond-011578	NSC125727	125727	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.6905082664047	O=C1C(C(=O)NC(=S)N1)(C/C=C/C)CC	InChI=1S/C10H14N2O2S/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)	C10H14N2O2S	226.295	4	2	90.29	1	3	0	1.19	1.03998	2.01	1.411	61.5932	64.0114	1.7175	216.697009330522
Cond-011579	NSC12588	12588	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.115131339446	N1CCN(C1=S)CCCC	InChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)	C7H14N2S	158.264	2	1	47.36	1	3	0	-0.2185	0.9766	1.9	1.948	43.792	47.0817	1.3064	155.1379781542
Cond-011580	NSC126224	126224	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.24225418575764	C(=Cc1ccccc1N(=O)=O)(C(=O)OC)C(=O)OC	InChI=1S/C12H11NO6/c1-18-11(14)9(12(15)19-2)7-8-5-3-4-6-10(8)13(16)17/h3-7H,1-2H3	C12H11NO6	265.219	7	0	95.74	1	6	0	0.954700000000001	1.23438	2.01	3.491	36.9653	69.16	1.8418	238.134725016334
Cond-011581	NSC126224	126224	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C(=Cc1ccccc1N(=O)=O)(C(=O)OC)C(=O)OC	InChI=1S/C12H11NO6/c1-18-11(14)9(12(15)19-2)7-8-5-3-4-6-10(8)13(16)17/h3-7H,1-2H3	C12H11NO6	265.219	7	0	95.74	1	6	0	0.954700000000001	1.23438	2.01	3.491	36.9653	69.16	1.8418	238.134725016334
Cond-011582	NSC126226	126226	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.275062178155	n1cc(ccc1)C(=O)OCC(O)COC(=O)c1cccnc1	InChI=1S/C15H14N2O5/c18-13(9-21-14(19)11-3-1-5-16-7-11)10-22-15(20)12-4-2-6-17-8-12/h1-8,13,18H,9-10H2	C15H14N2O5	302.282	7	1	98.61	2	8	0	-0.6697	0.81969	2.34	1.034	27.9703	78.0673	2.154	266.336294999939
Cond-011583	NSC12628	12628	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.043472832022	O=[As](c1ccc(c(c1)N(=O)=O)OCC(=O)O)(O)O	InChI=1S/C8H8AsNO8/c11-8(12)4-18-7-2-1-5(9(13,14)15)3-6(7)10(16)17/h1-3H,4H2,(H,11,12)(H2,13,14,15)	C8H8AsNO8	321.073	9	3	147.2	1	5	0	-0.1915	-0.78712	1.24	0.97	23.2889	63.9169	1.7317	213.724234993956
Cond-011584	NSC12633	12633	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9198844993408	O=[As](c1ccc(NCC(=O)O)cc1)(O)O	InChI=1S/C8H10AsNO5/c11-8(12)5-10-7-3-1-6(2-4-7)9(13,14)15/h1-4,10H,5H2,(H,11,12)(H2,13,14,15)	C8H10AsNO5	275.09	6	4	106.86	1	4	0	-1.1179	-0.42192	1.57	0.887	21.0798	56.5656	1.5986	189.990013593072
Cond-011585	NSC126347	126347	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.655834675961	N1(CCCCC1)S(=O)(=O)c1ccc2sc(nc2c1)SC	InChI=1S/C13H16N2O2S3/c1-18-13-14-11-9-10(5-6-12(11)19-13)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3	C13H16N2O2S3	328.473	4	0	112.19	3	3	0	-0.493799999999999	4.11188	2.12	2.469	50.5845	80.748	2.25	259.090093921723
Cond-011586	NSC126405	126405	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.4167751538385	ClC1=C(Cl)/C(=N/N)/C(=C1Cl)Cl	InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2	C5H2Cl4N2	231.895	2	2	38.38	1	0	0	1.7093	2.44317	1.35	2.149	51.3892	49.3614	1.2647	157.608338525
Cond-011587	NSC126405	126405	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	ClC1=C(Cl)/C(=N/N)/C(=C1Cl)Cl	InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2	C5H2Cl4N2	231.895	2	2	38.38	1	0	0	1.7093	2.44317	1.35	2.149	51.3892	49.3614	1.2647	157.608338525
Cond-011588	NSC12644	12644	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.740337624709	O=[As](c1cc(ccc1)NC(=O)OCC)(O)O	InChI=1S/C9H12AsNO5/c1-2-16-9(12)11-8-5-3-4-7(6-8)10(13,14)15/h3-6H,2H2,1H3,(H,11,12)(H2,13,14,15)	C9H12AsNO5	289.117	6	3	95.86	1	5	0	0.0128000000000004	0.0140799999999999	1.68	1.985	24.7818	60.6958	1.7395	207.285998218939
Cond-011589	NSC12646	12646	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.678395836298	O=[As](c1cc2c(cccc2cc1)N)(O)O	InChI=1S/C10H10AsNO3/c12-10-3-1-2-7-4-5-8(6-9(7)10)11(13,14)15/h1-6H,12H2,(H2,13,14,15)	C10H10AsNO3	267.113	4	4	83.55	2	1	0	-1.0058	1.55338	2.01	2.358	10.2206	56.7775	1.6114	181.108612042084
Cond-011590	NSC12650	12650	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.727273726752	O=[As](c1ccc(/N=N/c2ccc(cc2)O)cc1)(O)O	InChI=1S/C12H11AsN2O4/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17,18)19/h1-8,16H,(H2,17,18,19)	C12H11AsN2O4	322.148	6	3	102.48	2	3	0	-0.7162	1.72838	2.01	4.064	8.5631	67.5409000000001	1.9657	230.214650800945
Cond-011591	NSC12666	12666	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.590405785755	O=[As](c1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)N)(O)O	InChI=1S/C14H13AsN2O5/c16-13(18)9-1-3-10(4-2-9)14(19)17-12-7-5-11(6-8-12)15(20,21)22/h1-8H,(H2,16,18)(H,17,19)(H2,20,21,22)	C14H13AsN2O5	364.185	7	5	129.72	2	5	0	-1.5255	0.16728	2.12	2.013	20.8815	83.1317	2.2632	270.960388052439
Cond-011592	NSC126757	126757	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.016261449382	c12c(cc(cc1)N(=O)=O)nc([nH]2)NC(=N)N	InChI=1S/C8H8N6O2/c9-7(10)13-8-11-5-2-1-4(14(15)16)3-6(5)12-8/h1-3H,(H5,9,10,11,12,13)	C8H8N6O2	220.188	8	5	133.72	2	3	0	-0.2298	1.52584	1.46	1.428	18.3897	63.7818	1.4768	168.153680751456
Cond-011593	NSC126837	126837	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3670235398564	O(CCS(=O)(=O)c1ccc(cc1)C)C(=O)CNC(=O)OCc1ccccc1	InChI=1S/C19H21NO6S/c1-15-7-9-17(10-8-15)27(23,24)12-11-25-18(21)13-20-19(22)26-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,22)	C19H21NO6S	391.438	7	1	107.15	2	11	1	-0.1253	1.7303	2.67	4.693	47.9268	95.5177	2.84	351.822724053402
Cond-011594	NSC127133	127133	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	51.3882472416675	[nH]1c(=O)c2ccccc2c2c1cc(cc2)NC(=O)c1c(cccc1)c1ccccc1C(=O)O	InChI=1S/C27H18N2O4/c30-25(21-10-4-1-7-17(21)18-8-3-6-12-23(18)27(32)33)28-16-13-14-20-19-9-2-5-11-22(19)26(31)29-24(20)15-16/h1-15H,(H,28,30)(H,29,31)(H,32,33)	C27H18N2O4	434.443	6	3	95.5	5	5	1	-1.5094	6.20208	3.77	7.782	22.1023	131.6542	3.15930000000001	387.77329680178
Cond-011595	NSC127216	127216	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.87707159384	[nH]1s/c(=N\N)/nc1SC	InChI=1S/C3H6N4S2/c1-8-3-5-2(6-4)9-7-3/h4H2,1H3,(H,5,6,7)	C3H6N4S2	162.237	4	3	113.37	1	1	0	0.6367	-0.0181199999999999	1.13	0.156	41.2672	44.9291	1.0629	123.820125423867
Cond-011596	NSC127458	127458	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8323143730142	n1c2n(ncc2ccc1)c1ccccc1	InChI=1S/C12H9N3/c1-2-6-11(7-3-1)15-12-10(9-14-15)5-4-8-13-12/h1-9H	C12H9N3	195.22	3	0	30.19	3	1	0	0.0132	3.25508	2.45	3.261	2.898	61.389	1.472	160.8739678277
Cond-011597	NSC127886	127886	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.7019787217912	C1CCC2C(C1)OC(=O)C2C(=N)C(C#N)C(=O)OCC	InChI=1S/C14H18N2O4/c1-2-19-13(17)9(7-15)12(16)11-8-5-3-4-6-10(8)20-14(11)18/h8-11,16H,2-6H2,1H3	C14H18N2O4	278.304	6	1	100.24	2	5	0	-1.1547	1.50706	2.34	0.791	62.0061	70.3087	2.0834	269.959459775911
Cond-011598	NSC127947	127947	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.109243709108	C1(C(C(C1)CC(=O)O)(C)C)/C(=N\O)/C	InChI=1S/C10H17NO3/c1-6(11-14)8-4-7(5-9(12)13)10(8,2)3/h7-8,14H,4-5H2,1-3H3,(H,12,13)/b11-6-	C10H17NO3	199.247	4	2	69.89	1	3	0	0.1088	2.20739	2.12	1.52	50.9883	55.7693	1.5989	201.254369166917
Cond-011599	NSC128068	128068	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.68089774601734	c1(c2cc(ccc2ccc1C)C#N)O	InChI=1S/C12H9NO/c1-8-2-4-10-5-3-9(7-13)6-11(10)12(8)14/h2-6,14H,1H3	C12H9NO	183.206	2	1	44.02	2	0	0	0.2164	2.8819	2.56	2.747	14.2653	57.905	1.4397	170.927132812728
Cond-011600	NSC128068	128068	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(c2cc(ccc2ccc1C)C#N)O	InChI=1S/C12H9NO/c1-8-2-4-10-5-3-9(7-13)6-11(10)12(8)14/h2-6,14H,1H3	C12H9NO	183.206	2	1	44.02	2	0	0	0.2164	2.8819	2.56	2.747	14.2653	57.905	1.4397	170.927132812728
Cond-011601	NSC128141	128141	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.327704789431	O(c1ccc(cc1C(C)C)N(C)C)C(=O)NC	InChI=1S/C13H20N2O2/c1-9(2)11-8-10(15(4)5)6-7-12(11)17-13(16)14-3/h6-9H,1-5H3,(H,14,16)	C13H20N2O2	236.31	4	1	41.57	1	5	0	0.809000000000001	2.69298	2.45	3.001	43.0487	74.8567	1.9767	239.175939150523
Cond-011602	NSC128606	128606	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4143709508945	O=c1oc2c(c3c1cccc3)cc(cc2)NC(=O)c1c(c2ccccc2C(=O)O)cccc1	InChI=1S/C27H17NO5/c29-25(20-10-4-1-7-17(20)18-8-2-5-11-21(18)26(30)31)28-16-13-14-24-23(15-16)19-9-3-6-12-22(19)27(32)33-24/h1-15H,(H,28,29)(H,30,31)	C27H17NO5	435.428	6	2	92.7	5	5	1	-0.9657	6.66977	3.77	8.313	20.9525	130.7205	3.11820000000001	385.566763294174
Cond-011603	NSC12865	12865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	6.76031293399424	c1cc(cc2c1nccc2C(C1N2CC(C(C1)CC2)C=C)O)OC.Br	InChI=1S/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H	C20H25BrN2O2	405.329	4	1	45.59	2	4	0	-0.513600000000002	3.21819000000001	3.22	2.662	52.1148	95.2858000000001	2.5512	307.005538027591
Cond-011604	NSC128737	128737	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8114392708112	n1ccc2[nH]c(nc2c1)c1ccccc1N	InChI=1S/C12H10N4/c13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,13H2,(H,15,16)	C12H10N4	210.235	4	3	67.59	3	1	0	-1.1703	2.58398	2.34	1.862	7.5221	67.1354	1.5718	171.870728035867
Cond-011605	NSC128751	128751	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	41.732768851248	c1ccc2c(c1)nc([nH]2)c1ccccc1Cl	InChI=1S/C13H9ClN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)	C13H9ClN2	228.677	2	1	28.68	3	1	0	0.3239	4.26018	2.56	4.384	8.9156	69.938	1.6355	182.384260015834
Cond-011606	NSC129220	129220	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.726960108704	O1C2n3ccc(=N)nc3OC2C(C1CO)O.CC(=O)O	InChI=1S/C9H11N3O4.C2H4O2/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;1-2(3)4/h1-2,4,6-8,10,13-14H,3H2;1H3,(H,3,4)	C11H15N3O6	285.253	7	3	98.37	3	1	0	-1.7793	-1.55283	1.68	-0.215	50.3654	54.7983	1.4561	187.392755555545
Cond-011607	NSC129260	129260	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	44.761247995194	Fc1cc(ccc1C)Nc1n[nH]c(=S)s1	InChI=1S/C9H8FN3S2/c1-5-2-3-6(4-7(5)10)11-8-12-13-9(14)15-8/h2-4H,1H3,(H,11,12)(H,13,14)	C9H8FN3S2	241.308	3	2	93.81	2	2	0	2.5368	1.87372	1.79	3.103	38.3013	66.8234	1.5886	191.500997018007
Cond-011608	NSC129536	129536	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.13865588189	O1C(=O)C23C4(C1C1OC(=O)C(C1C(C)(C)O)C4(CC3O2)O)C	InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3	C15H18O7	310.299	7	2	105.59	5	1	0	-1.3068	-0.63331	2.34	-0.988	66.8982	71.5586	2.004	262.472604087128
Cond-011609	NSC129929	129929	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	32.2777373873252	n1c2c(c(c3ccccc13)NC(=O)OCC)cccc2	InChI=1S/C16H14N2O2/c1-2-20-16(19)18-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3,(H,17,18,19)	C16H14N2O2	266.295	4	1	51.22	3	4	0	0.2687	4.55967	2.78	4.496	18.7833	84.0317	2.0102	234.005140823323
Cond-011610	NSC13051	13051	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc2c(c3cc(ccc3nc2c1)OC)Nc1c(cc(c(c1)C(C)C)O)C	InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)	C24H23ClN2O2	406.905	4	2	54.38	4	4	1	1.0267	8.08120000000001	3.55	5.916	38.5659	123.8987	3.0652	359.054709498291
Cond-011611	NSC13051	13051	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.3943900466283	Clc1ccc2c(c3cc(ccc3nc2c1)OC)Nc1c(cc(c(c1)C(C)C)O)C	InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)	C24H23ClN2O2	406.905	4	2	54.38	4	4	1	1.0267	8.08120000000001	3.55	5.916	38.5659	123.8987	3.0652	359.054709498291
Cond-011612	NSC130801	130801	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.74698327057694	n1c2c(cc(cc2ccc1)OC)NCc1c(cccc1)O	InChI=1S/C17H16N2O2/c1-21-14-9-12-6-4-8-18-17(12)15(10-14)19-11-13-5-2-3-7-16(13)20/h2-10,19-20H,11H2,1H3	C17H16N2O2	280.321	4	2	54.38	3	4	0	-0.9209	4.24699	2.89	3.256	17.8926	85.9007	2.1511	251.30112544919
Cond-011613	NSC130847	130847	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	89.9647760694992	O=c1oc(n[nH]1)c1cc(nc2c1cccc2)c1ccccc1	InChI=1S/C17H11N3O2/c21-17-20-19-16(22-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,20,21)	C17H11N3O2	289.288	5	1	63.58	4	2	1	-0.0493	3.35478	2.78	5.927	14.9914	88.1117	2.0563	244.668509554956
Cond-011614	NSC130872	130872	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	39.0489342611805	n1ccccc1/C=C(/c1ccc(cc1)OC)\C#N	InChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3	C15H12N2O	236.269	3	0	45.91	2	3	0	0.2551	2.92898	2.78	3.588	22.6129	70.379	1.8762	228.538929496895
Cond-011615	NSC131388	131388	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6843000211815	[nH]1c(nc(=O)cc1N)N1CCN(CC1)C	InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-11-7(10)6-8(15)12-9/h6H,2-5H2,1H3,(H3,10,11,12,15)	C9H15N5O	209.248	6	3	73.96	2	1	0	-1.4568	-1.42253	1.79	0.474	55.8911	60.7061	1.5882	195.372054570995
Cond-011616	NSC131467	131467	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.939535027061	[nH]1c(c2nccc3ccccc23)c(c(c1c1ccccc1)C(=O)OC)C(=O)OC	InChI=1S/C23H18N2O4/c1-28-22(26)17-18(23(27)29-2)21(25-19(17)15-9-4-3-5-10-15)20-16-11-7-6-8-14(16)12-13-24-20/h3-13,25H,1-2H3	C23H18N2O4	386.4	6	1	81.28	4	6	1	-0.398	4.45858000000001	3.33	6.781	27.2768	115.9075	2.8333	338.855193101513
Cond-011617	NSC13151	13151	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	7.17245126177605	Clc1c(cccc1)/C=C/C(=O)c1ccc(cc1)O	InChI=1S/C15H11ClO2/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10,17H/b10-7+	C15H11ClO2	258.7	2	1	37.3	2	3	0	0.3813	3.72738	2.78	4.357	23.7697	74.8828	1.9007	233.183162252356
Cond-011618	NSC13151	13151	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	Clc1c(cccc1)/C=C/C(=O)c1ccc(cc1)O	InChI=1S/C15H11ClO2/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10,17H/b10-7+	C15H11ClO2	258.7	2	1	37.3	2	3	0	0.3813	3.72738	2.78	4.357	23.7697	74.8828	1.9007	233.183162252356
Cond-011619	NSC13156	13156	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.444663212948	n1c2ccccc2nc(c1NS(=O)(=O)c1ccc(cc1)N)C	InChI=1S/C15H14N4O2S/c1-10-15(18-14-5-3-2-4-13(14)17-10)19-22(20,21)12-8-6-11(16)7-9-12/h2-9H,16H2,1H3,(H,18,19)	C15H14N4O2S	314.362	6	3	106.35	3	3	0	-1.2469	3.6147	2.34	2.579	21.0962	82.0871	2.2324	257.21170067139
Cond-011620	NSC131616	131616	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	114.710808063853	n12C(CC3(CCCN4C3c1c(CC4)c1c2cccc1)CC)(O)C(=O)OC	InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3	C21H26N2O3	354.443	5	1	54.7	5	3	0	-0.4004	2.96409	3.22	3.261	65.5371	101.7338	2.6852	323.371749354019
Cond-011621	NSC13176	13176	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.513832871561	N1(CCCCC1)C(C)CC(c1ccccc1)(c1ccccc1)C#N	InChI=1S/C22H26N2/c1-19(24-15-9-4-10-16-24)17-22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3	C22H26N2	318.455	2	0	27.03	3	5	1	-1.0994	4.59429000000001	3.66	7.704	44.0383	99.3650000000001	2.7382	331.100595177402
Cond-011622	NSC131982	131982	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.87707159384	c1ccccc1NC(=S)NCCC	InChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)	C10H14N2S	194.297	2	2	56.15	1	5	0	0.0463000000000001	2.383	2.23	3.449	31.456	60.9564	1.6001	188.2165559294
Cond-011623	NSC131986	131986	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8456951227099	c1ccccc1NC(=S)NC(CC)C	InChI=1S/C11H16N2S/c1-3-9(2)12-11(14)13-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,13,14)	C11H16N2S	208.323	2	2	56.15	1	5	0	0.0355999999999997	2.7715	2.34	3.909	36.0404	65.5514	1.741	205.512540555267
Cond-011624	NSC13213	13213	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.831183725167	n1c2ccccc2c(nc1C(=O)N)C	InChI=1S/C10H9N3O/c1-6-7-4-2-3-5-8(7)13-10(12-6)9(11)14/h2-5H,1H3,(H2,11,14)	C10H9N3O	187.198	4	2	68.87	2	1	0	-0.1953	1.18501	2.12	1.203	13.174	56.0244	1.4005	160.965142678128
Cond-011625	NSC13248	13248	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.020922959083	Clc1cc2nccc(c2cc1)NC1CCN(CC1)CC	InChI=1S/C16H20ClN3/c1-2-20-9-6-13(7-10-20)19-15-5-8-18-16-11-12(17)3-4-14(15)16/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,18,19)	C16H20ClN3	289.803	3	1	28.16	3	3	0	0.0866000000000001	4.78968	2.78	3.092	40.4496	86.7957	2.244	261.441891503201
Cond-011626	NSC13294	13294	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.87209700643229	Clc1cc(/N=C\2/CC(N(C2=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)ccc1	InChI=1S/C22H15Cl3N2O/c23-15-9-7-14(8-10-15)21-13-20(26-18-5-1-3-16(24)11-18)22(28)27(21)19-6-2-4-17(25)12-19/h1-12,21H,13H2	C22H15Cl3N2O	429.726	3	0	32.67	4	3	1	1.4769	7.21507	3.22	6.767	38.8385	119.999	2.9265	354.358190386063
Cond-011627	NSC13294	13294	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1cc(/N=C\2/CC(N(C2=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)ccc1	InChI=1S/C22H15Cl3N2O/c23-15-9-7-14(8-10-15)21-13-20(26-18-5-1-3-16(24)11-18)22(28)27(21)19-6-2-4-17(25)12-19/h1-12,21H,13H2	C22H15Cl3N2O	429.726	3	0	32.67	4	3	1	1.4769	7.21507	3.22	6.767	38.8385	119.999	2.9265	354.358190386063
Cond-011628	NSC133002	133002	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2205286311071	O1P(=O)(Oc2ccc(cc2)N(=O)=O)COCC1	InChI=1S/C9H10NO6P/c11-10(12)8-1-3-9(4-2-8)16-17(13)7-14-5-6-15-17/h1-4H,5-7H2	C9H10NO6P	259.153	7	0	97.71	2	3	0	0.3203	1.94549	1.57	1.182	28.7781	56.8575	1.6441	201.626941948334
Cond-011629	NSC133071	133071	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.52015616048888	Clc1c(OCCCOc2ccccc2)ccc(N2C(N=C(N=C2N)N)(C)C)c1.C(C)S(=O)(=O)O	InChI=1S/C20H24ClN5O2.C2H6O3S/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15;1-2-6(3,4)5/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)	C22H30ClN5O5S	512.022	7	4	98.46	3	7	0	-0.779999999999999	4.29897	2.78	4.641	54.9872	116.6038	2.9956	362.290427721724
Cond-011630	NSC133071	133071	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c(OCCCOc2ccccc2)ccc(N2C(N=C(N=C2N)N)(C)C)c1.C(C)S(=O)(=O)O	InChI=1S/C20H24ClN5O2.C2H6O3S/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15;1-2-6(3,4)5/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)	C22H30ClN5O5S	512.022	7	4	98.46	3	7	0	-0.779999999999999	4.29897	2.78	4.641	54.9872	116.6038	2.9956	362.290427721724
Cond-011631	NSC133075	133075	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5394620764128	N1c2ccccc2/C(=N/c2ccc(cc2)S(=O)(=O)NC(=N)N)/C1=O	InChI=1S/C15H13N5O3S/c16-15(17)20-24(22,23)10-7-5-9(6-8-10)18-13-11-3-1-2-4-12(11)19-14(13)21/h1-8H,(H4,16,17,20)(H,18,19,21)	C15H13N5O3S	343.36	8	5	145.88	3	4	0	-1.6351	1.61494	2.12	2.4	33.8859	88.8345	2.3479	285.262228879318
Cond-011632	NSC13316	13316	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	6.02629643266662	n1c(c2ccc(Cl)cc2)cc(C(C2CCCCN2)O)c2c1cccc2	InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2	C21H21ClN2O	352.857	3	2	45.15	4	3	1	-1.0896	4.8979	3.33	5.005	31.723	104.2035	2.6698	314.54944632173
Cond-011633	NSC13316	13316	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c(c2ccc(Cl)cc2)cc(C(C2CCCCN2)O)c2c1cccc2	InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2	C21H21ClN2O	352.857	3	2	45.15	4	3	1	-1.0896	4.8979	3.33	5.005	31.723	104.2035	2.6698	314.54944632173
Cond-011634	NSC133195	133195	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4376487543417	c1cc(ccc1NC(=O)NC)S(=O)(=O)N	InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12)	C8H11N3O3S	229.256	6	4	109.67	1	4	0	-1.4619	0.23538	1.57	-0.234	26.7809	53.5778	1.5942	190.992026987517
Cond-011635	NSC133351	133351	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	38.6863204016928	O(c1cc(c(cc1)N)N(=O)=O)c1cc(c(cc1)N)N(=O)=O	InChI=1S/C12H10N4O5/c13-9-3-1-7(5-11(9)15(17)18)21-8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2	C12H10N4O5	290.232	9	4	147.55	2	4	0	-0.3337	3.24038	1.79	4.114	17.8433	82.0088	1.9309	236.441861538673
Cond-011636	NSC133356	133356	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7336255701576	n1nnc([nH]1)c1ccc(c2nnn[nH]2)cc1	InChI=1S/C8H6N8/c1-2-6(8-11-15-16-12-8)4-3-5(1)7-9-13-14-10-7/h1-4H,(H,9,10,13,14)(H,11,12,15,16)	C8H6N8	214.187	8	2	108.92	3	2	0	-0.8408	-0.415009999999999	1.46	2.28	6.6	56.459	1.4074	146.673830365067
Cond-011637	NSC13345	13345	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.502893090367	c1cccc(c1NC(=O)CSC(=O)N)C(=O)O	InChI=1S/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)	C10H10N2O4S	254.262	6	4	134.79	1	6	0	-0.6022	0.33659	1.79	0.824	34.4589	60.1894	1.7489	218.104545330045
Cond-011638	NSC134058	134058	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	16.9558408158267	O=c1nc(c(n[nH]1)Sc1ccccc1)SC	InChI=1S/C10H9N3OS2/c1-15-8-9(12-13-10(14)11-8)16-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)	C10H9N3OS2	251.328	4	1	104.42	2	3	0	0.5903	1.50567	1.9	3.415	40.9235	68.5367	1.7275	208.883190793328
Cond-011639	NSC134058	134058	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=c1nc(c(n[nH]1)Sc1ccccc1)SC	InChI=1S/C10H9N3OS2/c1-15-8-9(12-13-10(14)11-8)16-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)	C10H9N3OS2	251.328	4	1	104.42	2	3	0	0.5903	1.50567	1.9	3.415	40.9235	68.5367	1.7275	208.883190793328
Cond-011640	NSC134137	134137	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.467113316602	N(=N\c1c2ccccc2cc(c1O)C(=O)O)/c1ccc(cc1)S(=O)(=O)N	InChI=1S/C17H13N3O5S/c18-26(24,25)12-7-5-11(6-8-12)19-20-15-13-4-2-1-3-10(13)9-14(16(15)21)17(22)23/h1-9,21H,(H,22,23)(H2,18,24,25)	C17H13N3O5S	371.367	8	4	150.79	3	4	0	-1.6366	3.12448	2.34	4.684	20.9255	92.987	2.5045	301.90467241504
Cond-011641	NSC134199	134199	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.341660462304	[nH]1c(=O)c(/N=N/c2ccc(cc2)S(=O)(=O)N)ccc1O	InChI=1S/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)	C11H10N4O4S	294.286	8	4	142.59	2	3	0	-1.1895	0.766760000000001	1.68	1.269	38.8666	67.3739	1.9378	242.401132970645
Cond-011642	NSC13434	13434	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.176867057918	[nH]1c(c(c(c1C(=O)O)OC(=O)CC)C)C(=O)OCC	InChI=1S/C12H15NO6/c1-4-7(14)19-10-6(3)8(12(17)18-5-2)13-9(10)11(15)16/h13H,4-5H2,1-3H3,(H,15,16)	C12H15NO6	269.251	7	2	105.69	1	7	0	0.238400000000001	1.17941	2.01	0.958	49.0432	68.0353	1.9278	243.407642417934
Cond-011643	NSC134577	134577	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.138269547986	n1cc(ccc1)NC(=O)C(C)C	InChI=1S/C9H12N2O/c1-7(2)9(12)11-8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)	C9H12N2O	164.204	3	1	41.99	1	3	0	0.0995000000000001	2.51008	2.12	1.192	22.5281	51.1907	1.3544	161.201773946495
Cond-011644	NSC134580	134580	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.43698636835	n1c(c(ccc1C(=O)O)OC)C	InChI=1S/C8H9NO3/c1-5-7(12-2)4-3-6(9-5)8(10)11/h3-4H,1-2H3,(H,10,11)	C8H9NO3	167.162	4	1	59.42	1	2	0	0.1479	1.24471	1.9	1.078	20.2676	45.7168	1.2311	150.489482513584
Cond-011645	NSC134674	134674	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	63.7629654972659	Clc1c(Cl)c(Cl)c2c(c1Cl)nn[nH]2	InChI=1S/C6HCl4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)	C6HCl4N3	256.904	3	1	41.57	2	0	0	2.5568	3.49479	1.35	2.341	25.7624	55.402	1.3538	149.108165957433
Cond-011646	NSC134784	134784	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.831155184566	O1C(=O)/C(=C/2\OCC(C2)C)/C(C1)C	InChI=1S/C10H14O3/c1-6-3-8(12-4-6)9-7(2)5-13-10(9)11/h6-7H,3-5H2,1-2H3/b9-8-	C10H14O3	182.216	3	0	35.53	2	0	0	-0.0673999999999979	1.64988	2.23	1.122	47.6974	49.855	1.3905	177.90115025795
Cond-011647	NSC134785	134785	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.657034747054	O=C1N(C2(OCCC2C1)C)CCCC	InChI=1S/C11H19NO2/c1-3-4-6-12-10(13)8-9-5-7-14-11(9,12)2/h9H,3-8H2,1-2H3	C11H19NO2	197.274	3	0	29.54	2	3	0	-1.7784	2.00539	2.34	1.603	48.6698	56.945	1.6155	200.040127092222
Cond-011648	NSC13487	13487	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.35415512777111	n1c2ccccc2c(cc1/C=C/c1ccc(cc1)N(CC)CC)c1ccccc1	InChI=1S/C27H26N2/c1-3-29(4-2)24-18-15-21(16-19-24)14-17-23-20-26(22-10-6-5-7-11-22)25-12-8-9-13-27(25)28-23/h5-20H,3-4H2,1-2H3	C27H26N2	378.509	2	0	16.13	4	6	1	1.1864	7.08038000000001	4.21	10.198	33.1976	126.181	3.1621	372.878224802736
Cond-011649	NSC13487	13487	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccccc2c(cc1/C=C/c1ccc(cc1)N(CC)CC)c1ccccc1	InChI=1S/C27H26N2/c1-3-29(4-2)24-18-15-21(16-19-24)14-17-23-20-26(22-10-6-5-7-11-22)25-12-8-9-13-27(25)28-23/h5-20H,3-4H2,1-2H3	C27H26N2	378.509	2	0	16.13	4	6	1	1.1864	7.08038000000001	4.21	10.198	33.1976	126.181	3.1621	372.878224802736
Cond-011650	NSC135168	135168	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.305166155579	c1ccc(cc1)C1C2(C1N(=O)=O)c1ccccc1c1c2cccc1	InChI=1S/C21H15NO2/c23-22(24)20-19(14-8-2-1-3-9-14)21(20)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-13,19-20H	C21H15NO2	313.349	3	0	43.14	5	2	1	-0.00309999999999966	4.0705	3.44	9.669	13.5947	94.4480000000001	2.3117	279.50246894129
Cond-011651	NSC135184	135184	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2849017900813	c1(ccc(cc1)S(=O)(=O)NNC(=O)C12CC(CC1)CC2)C	InChI=1S/C15H20N2O3S/c1-11-2-4-13(5-3-11)21(19,20)17-16-14(18)15-8-6-12(10-15)7-9-15/h2-5,12,17H,6-10H2,1H3,(H,16,18)	C15H20N2O3S	308.396	5	2	83.65	3	5	0	-0.648	2.3522	2.45	3.779	52.8975	76.4934	2.2635	276.354241758817
Cond-011652	NSC135351	135351	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9097050781034	N1C2(C(C(=C2)C)C(C1=O)C)C	InChI=1S/C9H13NO/c1-5-4-9(3)7(5)6(2)8(11)10-9/h4,6-7H,1-3H3,(H,10,11)	C9H13NO	151.206	2	1	29.1	2	0	0	0.5979	1.24718	2.23	0.316	43.2114	45.9317	1.232	154.021472439128
Cond-011653	NSC135381	135381	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.2737601506748	O=S1(=O)C2C(C(=O)C3C4C=CC(C13)CC4)C1CCC2C=C1	InChI=1S/C17H20O3S/c18-15-13-9-1-5-11(6-2-9)16(13)21(19,20)17-12-7-3-10(4-8-12)14(15)17/h1,3,5,7,9-14,16-17H,2,4,6,8H2	C17H20O3S	304.404	3	0	59.59	1	0	0	-0.3456	3.31257	2.89	1.621	77.6822	81.938	2.1715	277.776231893418
Cond-011654	NSC135412	135412	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.507658094603	c1(ccc(c(c1c1c(ccc(c1C)C)CC#N)C)C)CC#N	InChI=1S/C20H20N2/c1-13-5-7-17(9-11-21)19(15(13)3)20-16(4)14(2)6-8-18(20)10-12-22/h5-8H,9-10H2,1-4H3	C20H20N2	288.386	2	0	47.58	2	3	1	2.707	3.65774	3.44	6.842	43.504	87.2080000000001	2.479	303.592167224868
Cond-011655	NSC13579	13579	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6619581034768	Clc1cc2ncc(c(c2cc1)SCC(=O)O)C	InChI=1S/C12H10ClNO2S/c1-7-5-14-10-4-8(13)2-3-9(10)12(7)17-6-11(15)16/h2-5H,6H2,1H3,(H,15,16)	C12H10ClNO2S	267.731	3	1	75.49	2	3	0	1.5353	2.7599	2.23	2.509	30.6925	67.6478	1.8273	216.073910042122
Cond-011656	NSC135857	135857	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.598617439456	N1(C(CC1)CN)C(C)(C)C	InChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(10)6-9/h7H,4-6,9H2,1-3H3	C8H18N2	142.242	2	2	29.26	1	2	0	-0.0183000000000005	0.8179	2.12	0.772	42.3545	43.9184	1.3268	156.561397423267
Cond-011657	NSC135894	135894	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	11.1049505951328	C1=C(C(C=C(/C/1=N\O)C)(C(Cl)(Cl)Cl)C)C	InChI=1S/C10H12Cl3NO/c1-6-5-9(3,10(11,12)13)7(2)4-8(6)14-15/h4-5,15H,1-3H3/b14-8-	C10H12Cl3NO	268.567	2	1	32.59	1	1	0	3.4602	4.32227	2.01	3.456	67.0686	67.0117	1.8057	226.670660376295
Cond-011658	NSC135894	135894	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1=C(C(C=C(/C/1=N\O)C)(C(Cl)(Cl)Cl)C)C	InChI=1S/C10H12Cl3NO/c1-6-5-9(3,10(11,12)13)7(2)4-8(6)14-15/h4-5,15H,1-3H3/b14-8-	C10H12Cl3NO	268.567	2	1	32.59	1	1	0	3.4602	4.32227	2.01	3.456	67.0686	67.0117	1.8057	226.670660376295
Cond-011659	NSC136065	136065	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.7972324318141	N(=N\N1CCOCC1)/c1ccccc1	InChI=1S/C10H13N3O/c1-2-4-10(5-3-1)11-12-13-6-8-14-9-7-13/h1-5H,6-9H2	C10H13N3O	191.23	4	0	37.19	2	2	0	-0.1982	1.91519	2.12	1.979	27.6821	54.165	1.4865	177.138060079728
Cond-011660	NSC13616	13616	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.318175874851	n1c2c(cc(cc2ccc1)OC)NCC(CC)NC1CCCCC1	InChI=1S/C20H29N3O/c1-3-16(23-17-9-5-4-6-10-17)14-22-19-13-18(24-2)12-15-8-7-11-21-20(15)19/h7-8,11-13,16-17,22-23H,3-6,9-10,14H2,1-2H3	C20H29N3O	327.464	4	2	46.18	3	7	0	-2.6585	4.76139000000001	3.22	3.993	48.7921	101.9134	2.7439	324.204988936796
Cond-011661	NSC136513	136513	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.059474761076	o1cc(c(c1)C(=O)c1cc(c(c(c1)OC)OC)OC)C(=O)c1ccc2OCOc2c1	InChI=1S/C22H18O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)21(24)15-10-28-9-14(15)20(23)12-4-5-16-17(6-12)30-11-29-16/h4-10H,11H2,1-3H3	C22H18O8	410.374	8	0	93.43	4	7	0	-1.1398	3.96528	3	1.955	41.7306	109.3185	2.8136	350.899512263157
Cond-011662	NSC13653	13653	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.561437083961	O1C(=O)/C(=C/c2ccc3OCOc3c2)/CC1	InChI=1S/C12H10O4/c13-12-9(3-4-14-12)5-8-1-2-10-11(6-8)16-7-15-10/h1-2,5-6H,3-4,7H2	C12H10O4	218.205	4	0	44.76	3	1	0	0.1456	2.29757	2.34	1.799	32.0263	60.36	1.4934	190.117511407045
Cond-011663	NSC13658	13658	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.494263715839	O=C1OCC/C/1=C\c1cc(c(c(c1)OC)OC)OC	InChI=1S/C14H16O5/c1-16-11-7-9(6-10-4-5-19-14(10)15)8-12(17-2)13(11)18-3/h6-8H,4-5H2,1-3H3	C14H16O5	264.274	5	0	53.99	2	4	0	0.2929	2.09388	2.45	1.428	46.5016	71.832	1.9425	245.856166060139
Cond-011664	NSC137112	137112	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.5925438967378	N1(C2C3c4ccccc4C4N(C3C(c3c2cccc3)C1C4N(=O)=O)C)C	InChI=1S/C21H21N3O2/c1-22-17-13-9-5-3-7-11(13)16-19-15(17)12-8-4-6-10-14(12)18(23(19)2)21(20(16)22)24(25)26/h3-10,15-21H,1-2H3	C21H21N3O2	347.41	5	0	49.62	4	1	0	-0.0851999999999999	2.1135	3.22	4.957	43.5811	98.0500000000001	2.5317	307.948906759224
Cond-011665	NSC137399	137399	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.7270893797517	C(=N\O)(\c1ccc2CCc3c2c1ccc3)/c1ccccc1	InChI=1S/C19H15NO/c21-20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12,21H,9-10H2/b20-19-	C19H15NO	273.329	2	1	32.59	4	2	1	-0.0971	4.53559	3.33	8.102	18.6117	87.6427	2.1228	251.113190390595
Cond-011666	NSC137399	137399	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C(=N\O)(\c1ccc2CCc3c2c1ccc3)/c1ccccc1	InChI=1S/C19H15NO/c21-20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12,21H,9-10H2/b20-19-	C19H15NO	273.329	2	1	32.59	4	2	1	-0.0971	4.53559	3.33	8.102	18.6117	87.6427	2.1228	251.113190390595
Cond-011667	NSC137577	137577	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.88024264564376	N(c1ccccc1)(Nc1ccccc1)Cc1ccncc1	InChI=1S/C18H17N3/c1-3-7-17(8-4-1)20-21(18-9-5-2-6-10-18)15-16-11-13-19-14-12-16/h1-14,20H,15H2	C18H17N3	275.348	3	1	28.16	3	5	1	-0.3956	4.90298	3.11	5.954	10.9102	86.8377	2.2314	259.376958181301
Cond-011668	NSC137577	137577	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N(c1ccccc1)(Nc1ccccc1)Cc1ccncc1	InChI=1S/C18H17N3/c1-3-7-17(8-4-1)20-21(18-9-5-2-6-10-18)15-16-11-13-19-14-12-16/h1-14,20H,15H2	C18H17N3	275.348	3	1	28.16	3	5	1	-0.3956	4.90298	3.11	5.954	10.9102	86.8377	2.2314	259.376958181301
Cond-011669	NSC13785	13785	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.237993902699	O=[As](c1c2cccc(c2ccc1)N)(O)O	InChI=1S/C10H10AsNO3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13,14)15/h1-6H,12H2,(H2,13,14,15)	C10H10AsNO3	267.113	4	4	83.55	2	1	0	-1.0058	0.44509	2.01	2.147	10.2206	56.3615	1.6114	181.108612042084
Cond-011670	NSC13791	13791	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.793403178756	O=[As](c1c(cc(c2ccc(cc2)[As](=O)(O)O)cc1)N(=O)=O)(O)O	InChI=1S/C12H11As2NO8/c16-13(17,18)10-4-1-8(2-5-10)9-3-6-11(14(19,20)21)12(7-9)15(22)23/h1-7H,(H2,16,17,18)(H2,19,20,21)	C12H11As2NO8	447.061	9	4	158.2	2	4	0	0.1483	-1.14691	1.57	3.556	15.887	83.4232	2.3508	276.298875073389
Cond-011671	NSC13800	13800	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.060115756002	O=C1N(C(=O)c2c1cccc2)S(=O)(=O)N(C)C	InChI=1S/C10H10N2O4S/c1-11(2)17(15,16)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,1-2H3	C10H10N2O4S	254.262	6	0	83.14	2	2	0	-1.4902	0.00938999999999991	1.79	0.735	34.918	57.1575	1.6833	208.384545330045
Cond-011672	NSC138389	138389	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	38.9211398012919	N1(c2cc(c(cc2NC(=O)C1)C)C)C(=O)CCl	InChI=1S/C12H13ClN2O2/c1-7-3-9-10(4-8(7)2)15(12(17)5-13)6-11(16)14-9/h3-4H,5-6H2,1-2H3,(H,14,16)	C12H13ClN2O2	252.697	4	1	49.41	2	2	0	0.3551	2.10052	2.23	1.775	40.6268	68.9107	1.8066	222.098104893489
Cond-011673	NSC138398	138398	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.0680315615748	N1(c2ccccc2NC(=O)C1)C(=O)CN(CCC)CCC	InChI=1S/C16H23N3O2/c1-3-9-18(10-4-2)12-16(21)19-11-15(20)17-13-7-5-6-8-14(13)19/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)	C16H23N3O2	289.373	5	1	52.65	2	7	0	-2.1102	2.92768	2.67	1.979	53.95	87.9327000000001	2.3476	287.06773583469
Cond-011674	NSC139021	139021	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	30.5361677063428	n1ccsc1/N=N/c1c2ccccc2ccc1O	InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H	C13H9N3OS	255.295	4	1	86.08	3	2	0	0.1303	4.68558	2.34	4.484	10.3581	75.137	1.7921	202.832744510928
Cond-011675	NSC139105	139105	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	71.7327682699283	Clc1c(OCc2cc(ccc2)C(=O)N(C)C)ccc(N2C(N=C(N=C2N)N)(C)C)c1.C(C)S(=O)(=O)O	InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)	C23H31ClN6O5S	539.047	8	4	109.54	3	6	0	-0.779699999999999	2.93598	2.78	3.585	64.5792	124.3728	3.1933	387.946713854958
Cond-011676	NSC139168	139168	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.837213791718	O=C1C2(C3C(=O)C(=C(C4C3(C(OC(C4)O)CC2C(C=C1OC)C)C)C)OC)C	InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3	C22H30O6	390.47	6	1	82.06	4	2	0	-0.339900000000004	2.69707	3.22	1.377	102.7754	103.4798	2.9542	381.837811066836
Cond-011677	NSC139257	139257	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	40.2525646874467	c1(nccs1)NC(=S)Nc1ccccc1	InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)	C10H9N3S2	235.329	3	2	97.28	2	4	0	0.862	3.95728	2.01	3.427	25.727	69.6834	1.6688	189.192964092767
Cond-011678	NSC13974	13974	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.69646140167994	N(=N\c1ccc(c2c1cccc2)N)/c1ccccc1	InChI=1S/C16H13N3/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12/h1-11H,17H2	C16H13N3	247.295	3	2	50.74	3	2	1	-0.7499	5.74107	2.89	6.313	4.2221	81.0244	1.9496	224.784988929567
Cond-011679	NSC140873	140873	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.6769915031015	c1cc(cc(c1NC(=O)CN)C(=O)c1ccc[nH]1)Cl	InChI=1S/C13H12ClN3O2/c14-8-3-4-10(17-12(18)7-15)9(6-8)13(19)11-2-1-5-16-11/h1-6,16H,7,15H2,(H,17,18)	C13H12ClN3O2	277.706	5	4	87.98	2	5	0	-1.5264	2.14838	2.23	1.492	30.4872	77.2796	1.9613	234.217932325923
Cond-011680	NSC140892	140892	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.756911486749	c1ccccc1NC(=S)Nc1ccc(cc1)O	InChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)	C13H12N2OS	244.312	3	3	76.38	2	4	0	-0.1889	4.17178	2.45	4.037	20.4981	77.0544	1.8439	217.728901704361
Cond-011681	NSC140899	140899	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.9151981929268	n1c2c(CN(C2)C(=O)/C=C/C(=O)O)cc2ccccc12	InChI=1S/C15H12N2O3/c18-14(5-6-15(19)20)17-8-11-7-10-3-1-2-4-12(10)16-13(11)9-17/h1-7H,8-9H2,(H,19,20)/b6-5+	C15H12N2O3	268.267	5	1	70.5	3	3	0	-0.597	1.60407	2.56	1.887	34.2536	75.2748	1.928	236.399382898017
Cond-011682	NSC14142	14142	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.175885374379	O=c1n(c(=O)c2[nH]c(nc2n1C)Cc1ccc(cc1)NC(=O)C)C	InChI=1S/C16H17N5O3/c1-9(22)17-11-6-4-10(5-7-11)8-12-18-13-14(19-12)20(2)16(24)21(3)15(13)23/h4-7H,8H2,1-3H3,(H,17,22)(H,18,19)	C16H17N5O3	327.338	8	2	98.4	3	4	0	-1.5295	2.17037	2.34	1.553	47.3088	91.9702	2.3683	286.685648148385
Cond-011683	NSC141538	141538	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.507994393719	O=C1CCC2(OC2)C(C1OC)(C1(OC1CC=C(C)C)C)O	InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3	C16H24O5	296.359	5	1	71.59	3	4	0	0.406999999999998	1.53828	2.67	0.362	76.0945	78.9698	2.2447	286.901052713473
Cond-011684	NSC142269	142269	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	104.17128705365	n1ccc(cc1NC(=O)Nc1ccc(cc1)SC)C	InChI=1S/C14H15N3OS/c1-10-7-8-15-13(9-10)17-14(18)16-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H2,15,16,17,18)	C14H15N3OS	273.353	4	2	79.32	2	5	0	0.7072	4.27369	2.45	3.808	28.9349	82.0814	2.0846	246.021646538395
Cond-011685	NSC142277	142277	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.4966731854847	Fc1c(cccc1)NC(=O)Nc1ccc(SCC(=O)O)cc1	InChI=1S/C15H13FN2O3S/c16-12-3-1-2-4-13(12)18-15(21)17-10-5-7-11(8-6-10)22-9-14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)	C15H13FN2O3S	320.339	5	3	103.73	2	7	0	0.00100000000000011	3.91347	2.34	3.457	30.3899	82.9812	2.2178	273.332424506724
Cond-011686	NSC142335	142335	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.59223805595738	n1(c2ccccc2)c2ccccc2c(c1)c1nc(Cl)nc(n1)Oc1ccccc1	InChI=1S/C23H15ClN4O/c24-22-25-21(26-23(27-22)29-17-11-5-2-6-12-17)19-15-28(16-9-3-1-4-10-16)20-14-8-7-13-18(19)20/h1-15H	C23H15ClN4O	398.844	5	0	52.31	5	4	1	0.1587	7.31197	3.33	7.933	10.5092	119.091	2.8276	323.796183784996
Cond-011687	NSC142335	142335	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1(c2ccccc2)c2ccccc2c(c1)c1nc(Cl)nc(n1)Oc1ccccc1	InChI=1S/C23H15ClN4O/c24-22-25-21(26-23(27-22)29-17-11-5-2-6-12-17)19-15-28(16-9-3-1-4-10-16)20-14-8-7-13-18(19)20/h1-15H	C23H15ClN4O	398.844	5	0	52.31	5	4	1	0.1587	7.31197	3.33	7.933	10.5092	119.091	2.8276	323.796183784996
Cond-011688	NSC142446	142446	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.841047192948	n1(c2ccccc2)c2ccccc2c(c1)c1nc(Cl)nc(n1)NCC	InChI=1S/C19H16ClN5/c1-2-21-19-23-17(22-18(20)24-19)15-12-25(13-8-4-3-5-9-13)16-11-7-6-10-14(15)16/h3-12H,2H2,1H3,(H,21,22,23,24)	C19H16ClN5	349.817	5	1	55.11	4	4	1	0.2451	5.45068	2.89	5.617	22.1806	104.6777	2.5427	287.984613592335
Cond-011689	NSC14303	14303	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.206345821232	O=c1n(c(=O)c2[nH]c(nc2n1C)C(C)C)C	InChI=1S/C10H14N4O2/c1-5(2)7-11-6-8(12-7)13(3)10(16)14(4)9(6)15/h5H,1-4H3,(H,11,12)	C10H14N4O2	222.244	6	1	69.3	2	1	0	-0.394100000000001	1.06658	1.9	0.752	43.8453	63.064	1.645	196.925046988456
Cond-011690	NSC14304	14304	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.18384083258	O=c1n(c(=O)c2[nH]c(nc2n1C)CCC)C	InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)	C10H14N4O2	222.244	6	1	69.3	2	2	0	-1.4917	0.89568	1.9	1.024	41.2994	62.97	1.645	196.925046988456
Cond-011691	NSC14311	14311	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.939416450971	O=c1n(c(=O)c2[nH]c(nc2n1C)N1CCCCC1)C	InChI=1S/C12H17N5O2/c1-15-9-8(10(18)16(2)12(15)19)13-11(14-9)17-6-4-3-5-7-17/h3-7H2,1-2H3,(H,13,14)	C12H17N5O2	263.296	7	1	72.54	3	1	0	-1.7946	0.93348	2.01	0.523	50.6347	75.039	1.918	230.157317747556
Cond-011692	NSC143241	143241	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	84.4041193835946	N1(CCc2cc(c(c3c2c1cc1c3cc(c(c1)OC)OC)OC)OC)C(=O)OCC	InChI=1S/C23H25NO6/c1-6-30-23(25)24-8-7-13-10-19(28-4)22(29-5)21-15-12-18(27-3)17(26-2)11-14(15)9-16(24)20(13)21/h9-12H,6-8H2,1-5H3	C23H25NO6	411.448	7	0	66.46	4	7	0	0.328700000000002	4.67148	3.22	2.903	57.2105	119.012	3.0229	366.884721097669
Cond-011693	NSC143348	143348	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	84.7671672962907	n1ccccc1NC(=S)Nc1ccccc1C	InChI=1S/C13H13N3S/c1-10-6-2-3-7-11(10)15-13(17)16-12-8-4-5-9-14-12/h2-9H,1H3,(H2,14,15,16,17)	C13H13N3S	243.327	3	2	69.04	2	4	0	0.9134	3.97851	2.45	4.216	23.4356	75.7124	1.885	219.935435211967
Cond-011694	NSC143491	143491	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	9.94475147462104	O=C1c2c(c(c3C[C@](C[C@H](OC4OC(C(C(C4)N)O)C)c3c2O)(/C(=N\O)/C)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H30N2O10.ClH/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3;1H/b29-11-;/t10?,14?,16-,17?,22?,27-;/m0./s1	C27H31ClN2O10	578.995	12	7	201.36	5	4	1	-3.7049	1.71318	3.11	-0.399	87.1206	141.905	3.7695	478.133409209947
Cond-011695	NSC143491	143491	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	O=C1c2c(c(c3C[C@](C[C@H](OC4OC(C(C(C4)N)O)C)c3c2O)(/C(=N\O)/C)O)O)C(=O)c2cccc(c12)OC.Cl	InChI=1S/C27H30N2O10.ClH/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3;1H/b29-11-;/t10?,14?,16-,17?,22?,27-;/m0./s1	C27H31ClN2O10	578.995	12	7	201.36	5	4	1	-3.7049	1.71318	3.11	-0.399	87.1206	141.905	3.7695	478.133409209947
Cond-011696	NSC14380	14380	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.259934023168	O=c1n(c(=O)c2n(c(nc2n1C)OCC(C)C)C)C	InChI=1S/C12H18N4O3/c1-7(2)6-19-11-13-9-8(14(11)3)10(17)16(5)12(18)15(9)4/h7H,6H2,1-5H3	C12H18N4O3	266.296	7	0	67.67	2	3	0	-0.00069999999999748	1.87547	2.01	0.504	55.4713	74.537	1.9855	240.30724294075
Cond-011697	NSC14396	14396	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.942537365246	O=c1n(c(=O)c2n(c(nc2n1C)Cc1ccccc1)C)C	InChI=1S/C15H16N4O2/c1-17-11(9-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	C15H16N4O2	284.313	6	0	58.44	3	2	0	-0.3687	2.29858	2.45	3.172	39.7376	82.697	2.1119	252.23913531459
Cond-011698	NSC143974	143974	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	51.6243795438008	n1n(P(=O)(N(C)C)N(C)C)c(nc1C(C)C)Nc1ccccc1	InChI=1S/C15H25N6OP/c1-12(2)14-17-15(16-13-10-8-7-9-11-13)21(18-14)23(22,19(3)4)20(5)6/h7-12H,1-6H3,(H,16,17,18)	C15H25N6OP	336.372	7	1	76.1	2	6	0	-1.1681	3.29317000000001	2.23	3.121	54.8127	91.7532	2.652	302.899058540763
Cond-011699	NSC14398	14398	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.492703258702	O=c1n(c(=O)c2n(c(nc2n1C)Cc1ccc(cc1)N)C)C	InChI=1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3	C15H17N5O2	299.328	7	2	84.46	3	2	0	-1.1186	1.88078	2.34	1.087	43.9597	87.1094	2.2117	263.235895522756
Cond-011700	NSC144694	144694	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.9955037002622	n1ccc(cc1)/C=C(/c1c2ccccc2ccc1)\C(=O)N	InChI=1S/C18H14N2O/c19-18(21)17(12-13-8-10-20-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-12H,(H2,19,21)	C18H14N2O	274.317	3	2	55.98	3	3	1	-0.3626	3.20298	3.11	5.739	16.54	86.6394	2.1473	254.533965972895
Cond-011701	NSC144958	144958	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.436863238506	n1c2c(cccc2ccc1)NC(=O)/C=C/C(=O)O	InChI=1S/C13H10N2O3/c16-11(6-7-12(17)18)15-10-5-1-3-9-4-2-8-14-13(9)10/h1-8H,(H,15,16)(H,17,18)	C13H10N2O3	242.23	5	2	79.29	2	4	0	-0.6202	2.57427	2.34	1.727	24.8292	70.3645	1.7548	214.163872347084
Cond-011702	NSC144982	144982	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.338200379574	C1C(=C(CC(C1C(=O)OCC)C(=O)O)C)C	InChI=1S/C12H18O4/c1-4-16-12(15)10-6-8(3)7(2)5-9(10)11(13)14/h9-10H,4-6H2,1-3H3,(H,13,14)	C12H18O4	226.269	4	1	63.6	1	4	0	1.7354	2.15678	2.34	1.026	59.1365	61.8298	1.7966	231.003346210245
Cond-011703	NSC14506	14506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.241110524837	O=C1CC(CC(C1)(C)C)(P(=O)(OCCCC)OCCCC)C	InChI=1S/C17H33O4P/c1-6-8-10-20-22(19,21-11-9-7-2)17(5)13-15(18)12-16(3,4)14-17/h6-14H2,1-5H3	C17H33O4P	332.415	4	0	62.41	1	9	0	-0.269000000000001	5.02459000000001	2.78	3.945	83.1513	87.342	2.7917	342.583440149179
Cond-011704	NSC1451	1451	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3355065383611	n1c(c2c(nc1)n(nc2)C)NCc1ccccc1	InChI=1S/C13H13N5/c1-18-13-11(8-17-18)12(15-9-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)	C13H13N5	239.276	5	1	55.63	3	3	0	-0.2933	2.85147	2.34	2.555	16.6069	72.4397	1.8125	200.163472869901
Cond-011705	NSC145180	145180	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0523627517187	n1(cnc2n(ncn2)c1=S)C	InChI=1S/C5H5N5S/c1-9-3-7-4-6-2-8-10(4)5(9)11/h2-3H,1H3	C5H5N5S	167.192	5	0	75.65	2	0	0	-0.434	-0.34472	1.35	-0.112	44.5319	48.249	1.0864	133.270454723767
Cond-011706	NSC14540	14540	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.306375457244	O1P(=O)(OC(CC1C)C)OCCC#N	InChI=1S/C8H14NO4P/c1-7-6-8(2)13-14(10,12-7)11-5-3-4-9/h7-8H,3,5-6H2,1-2H3	C8H14NO4P	219.175	5	0	78.36	1	3	0	-0.303799999999999	1.32489	1.68	0.0290000000000001	47.9735	44.784	1.5804	195.279880023745
Cond-011707	NSC145992	145992	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	47.6848463907454	Clc1c(OCC(=O)N2CCOCC2)ccc(c1)N(=O)=O	InChI=1S/C12H13ClN2O5/c13-10-7-9(15(17)18)1-2-11(10)20-8-12(16)14-3-5-19-6-4-14/h1-2,7H,3-6,8H2	C12H13ClN2O5	300.695	7	0	81.91	2	5	0	0.306000000000001	2.07948	1.9	1.249	43.5961	78.178	1.9827	248.468784995173
Cond-011708	NSC146071	146071	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.853761532391	Clc1cc(Oc2ncccc2N(=O)=O)c(Cl)cc1Cl	InChI=1S/C11H5Cl3N2O3/c12-6-4-8(14)10(5-7(6)13)19-11-9(16(17)18)2-1-3-15-11/h1-5H	C11H5Cl3N2O3	319.528	5	0	65.26	2	3	0	2.7389	5.66398	1.79	3.963	22.3559	77.481	1.8832	227.84156510745
Cond-011709	NSC146554	146554	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2697291780608	c1(c(cc(cc1)N(=O)=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N)C	InChI=1S/C14H14N4O5S/c1-9-2-5-11(18(20)21)8-13(9)17-14(19)16-10-3-6-12(7-4-10)24(15,22)23/h2-8H,1H3,(H2,15,22,23)(H2,16,17,19)	C14H14N4O5S	350.35	9	4	152.81	2	6	0	-0.2621	2.5781	1.9	2.097	30.4763	87.2598	2.3762	289.542854848007
Cond-011710	NSC146557	146557	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.071609686366	Fc1c(cccc1)C(=O)/N=c\1/scc(n1c1c(ccc(c1)C)C)c1ccc(Br)cc1	InChI=1S/C24H18BrFN2OS/c1-15-7-8-16(2)21(13-15)28-22(17-9-11-18(25)12-10-17)14-30-24(28)27-23(29)19-5-3-4-6-20(19)26/h3-14H,1-2H3	C24H18BrFN2OS	481.38	3	0	57.97	4	4	1	2.0152	6.65761	3.44	9.504	50.5985	127.541	3.1543	384.54069951117
Cond-011711	NSC146769	146769	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	80.5729784021848	n1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)N(=O)=O	InChI=1S/C18H14N4O3/c23-18(13-1-7-17(8-2-13)22(24)25)21-15-5-3-14(4-6-15)20-16-9-11-19-12-10-16/h1-12H,(H,19,20)(H,21,23)	C18H14N4O3	334.329	7	2	97.16	3	6	0	-0.3951	5.01327	2.67	4.338	14.6315	100.3924	2.4213	291.471481089551
Cond-011712	NSC146770	146770	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.9309042982272	n1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)N	InChI=1S/C18H16N4O/c19-14-3-1-13(2-4-14)18(23)22-16-7-5-15(6-8-16)21-17-9-11-20-12-10-17/h1-12H,19H2,(H,20,21)(H,22,23)	C18H16N4O	304.346	5	4	80.04	3	5	0	-1.8051	4.82827	2.89	3.421	14.9636	96.2768	2.3469	276.527486389229
Cond-011713	NSC146771	146771	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3946295348173	c1c(cc2c(c1)nccc2Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1ccncc1)N(=O)=O	InChI=1S/C27H20N6O3/c34-27(32-21-7-5-19(6-8-21)30-22-11-14-28-15-12-22)18-1-3-20(4-2-18)31-26-13-16-29-25-10-9-23(33(35)36)17-24(25)26/h1-17H,(H,28,30)(H,29,31)(H,32,34)	C27H20N6O3	476.486	9	3	122.08	5	8	1	-0.8155	8.31035	3.44	6.051	17.9315	146.7021	3.45680000000001	409.433652233086
Cond-011714	NSC147358	147358	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.48637769838759	c1ccc2c(c1)c1cc(Cl)ccc1nc2NC(CC)CO	InChI=1S/C17H17ClN2O/c1-2-12(10-21)19-17-14-6-4-3-5-13(14)15-9-11(18)7-8-16(15)20-17/h3-9,12,21H,2,10H2,1H3,(H,19,20)	C17H17ClN2O	300.783	3	2	45.15	3	4	0	-0.4119	5.22948	2.89	4.547	28.4006	90.3305	2.2578	260.358425219862
Cond-011715	NSC147358	147358	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)c1cc(Cl)ccc1nc2NC(CC)CO	InChI=1S/C17H17ClN2O/c1-2-12(10-21)19-17-14-6-4-3-5-13(14)15-9-11(18)7-8-16(15)20-17/h3-9,12,21H,2,10H2,1H3,(H,19,20)	C17H17ClN2O	300.783	3	2	45.15	3	4	0	-0.4119	5.22948	2.89	4.547	28.4006	90.3305	2.2578	260.358425219862
Cond-011716	NSC14767	14767	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.294724302105	n1c(c(cnc1SCC)CO)N	InChI=1S/C7H11N3OS/c1-2-12-7-9-3-5(4-11)6(8)10-7/h3,11H,2,4H2,1H3,(H2,8,9,10)	C7H11N3OS	185.247	4	3	97.33	1	3	0	-0.2553	1.18869	1.68	0.493	29.2829	50.3572	1.3789	158.752047661328
Cond-011717	NSC14771	14771	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5134182604534	O=C1c2[nH]cnc2C(=O)c2c1cccc2	InChI=1S/C11H6N2O2/c14-10-6-3-1-2-4-7(6)11(15)9-8(10)12-5-13-9/h1-5H,(H,12,13)	C11H6N2O2	198.178	4	1	62.82	3	0	0	-0.948	0.67159	2.23	1.952	13.992	55.3485	1.3487	161.061676394789
Cond-011718	NSC147829	147829	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9774205035666	c1ccc2c(c1)[nH]c1c2CCNC1=O	InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)	C11H10N2O	186.21	3	2	44.89	3	0	0	-0.788	0.94029	2.34	2.131	19.9055	57.7897	1.376	157.544367095828
Cond-011719	NSC147866	147866	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.58671985408895	N1(CCN(c2c(cncc2)N)CC1)c1c(ccc(c1)C)C	InChI=1S/C17H22N4/c1-13-3-4-14(2)17(11-13)21-9-7-20(8-10-21)16-5-6-19-12-15(16)18/h3-6,11-12H,7-10,18H2,1-2H3	C17H22N4	282.383	4	2	45.39	3	2	0	0.6069	2.62824	2.89	2.59	39.8711	87.4874	2.3193	271.887109866001
Cond-011720	NSC147866	147866	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(c2c(cncc2)N)CC1)c1c(ccc(c1)C)C	InChI=1S/C17H22N4/c1-13-3-4-14(2)17(11-13)21-9-7-20(8-10-21)16-5-6-19-12-15(16)18/h3-6,11-12H,7-10,18H2,1-2H3	C17H22N4	282.383	4	2	45.39	3	2	0	0.6069	2.62824	2.89	2.59	39.8711	87.4874	2.3193	271.887109866001
Cond-011721	NSC148170	148170	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.3492505256864	Clc1ccc(cc1)n1c(S)nnc1N	InChI=1S/C8H7ClN4S/c9-5-1-3-6(4-2-5)13-7(10)11-12-8(13)14/h1-4H,(H2,10,11)(H,12,14)	C8H7ClN4S	226.686	4	2	95.01	2	1	0	0.5186	3.03137	1.68	2.445	21.4273	61.5984	1.4887	164.936257462834
Cond-011722	NSC148170	148170	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc(cc1)n1c(S)nnc1N	InChI=1S/C8H7ClN4S/c9-5-1-3-6(4-2-5)13-7(10)11-12-8(13)14/h1-4H,(H2,10,11)(H,12,14)	C8H7ClN4S	226.686	4	2	95.01	2	1	0	0.5186	3.03137	1.68	2.445	21.4273	61.5984	1.4887	164.936257462834
Cond-011723	NSC148304	148304	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8825710005217	C(C)NC(=S)NCC=C	InChI=1S/C6H12N2S/c1-3-5-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)	C6H12N2S	144.238	2	2	56.15	0	5	0	1.3432	0.58259	1.79	1.163	42.7834	44.2044	1.2311	147.561993528333
Cond-011724	NSC148832	148832	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.9506204038311	O=C1CC(C(C(=C1)C)(/C=C/C(=C/C(=O)O)/C)O)(C)C	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+	C15H20O4	264.317	4	2	74.6	1	3	0	1.783	2.26236	2.67	0.878	74.9764	75.0776	2.1333	277.618382686245
Cond-011725	NSC149046	149046	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9443579816418	O=c1cc(cc(cc1)NC(=O)CCl)OC	InChI=1S/C10H10ClNO3/c1-15-9-4-7(12-10(14)6-11)2-3-8(13)5-9/h2-5H,6H2,1H3,(H,12,14)	C10H10ClNO3	227.644	4	1	55.4	1	4	0	-0.111499999999999	0.90696	2.01	0.486	59.7419	58.6177	1.5923	208.55606083495
Cond-011726	NSC149050	149050	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.037113586934	n1(c2ccccc2)c2ccccc2c(c1)c1nc(Cl)nc(n1)Cl	InChI=1S/C17H10Cl2N4/c18-16-20-15(21-17(19)22-16)13-10-23(11-6-2-1-3-7-11)14-9-5-4-8-12(13)14/h1-10H	C17H10Cl2N4	341.194	4	0	43.08	4	2	1	0.6124	5.67228	2.67	5.855	14.8822	95.524	2.2835	257.606951902867
Cond-011727	NSC149054	149054	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	94.6072408695407	O=C1N(C(=O)N(c2ccccc2)C(=O)C1=CN)c1ccccc1	InChI=1S/C17H13N3O3/c18-11-14-15(21)19(12-7-3-1-4-8-12)17(23)20(16(14)22)13-9-5-2-6-10-13/h1-11H,18H2	C17H13N3O3	307.303	6	2	83.71	3	2	0	-1.8734	3.24326	2.67	4.475	32.3879	89.3434	2.2236	276.715194956317
Cond-011728	NSC149286	149286	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.34727718030041	c1ccncc1/C=C/C(=O)/C=C/c1cccnc1	InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+	C15H12N2O	236.269	3	0	42.85	2	4	0	0.4584	2.64077	2.78	2.786	25.833	72.668	1.8762	228.538929496895
Cond-011729	NSC149286	149286	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccncc1/C=C/C(=O)/C=C/c1cccnc1	InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+	C15H12N2O	236.269	3	0	42.85	2	4	0	0.4584	2.64077	2.78	2.786	25.833	72.668	1.8762	228.538929496895
Cond-011730	NSC149312	149312	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.98943282085	O=n1c2ccccc2n(=O)c(c1C)Cc1ccccc1	InChI=1S/C16H14N2O2/c1-12-16(11-13-7-3-2-4-8-13)18(20)15-10-6-5-9-14(15)17(12)19/h2-10H,11H2,1H3	C16H14N2O2	266.295	4	0	50.92	3	2	1	0.7141	3.99311	2.78	5.597	13.3729	80.4870000000001	2.0102	234.005140823323
Cond-011731	NSC14974	14974	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.891357188121	O1C2(C(C(C3C(C(=O)OC4C3(C2C2(C(C(C=C(C2C4)C)O)O)C)C1)O)C)O)O	InChI=1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3	C20H28O8	396.432	8	5	136.68	5	0	0	-1.9643	-0.91112	2.78	-0.102	94.1241	96.3300000000001	2.7672	357.742753917024
Cond-011732	NSC149877	149877	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8204090196026	n1(ccc(cc1=N)C)C	InChI=1S/C7H10N2/c1-6-3-4-9(2)7(8)5-6/h3-5,8H,1-2H3	C7H10N2	122.168	2	1	27.09	1	0	0	0.38	1.21887	2.01	1.63	38.4811	39.3327	1.0569	131.356036695
Cond-011733	NSC150114	150114	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.885598911508	n1(c(c2ccccc2)cc(c1)C(=O)c1ccccc1)C(C)(C)C	InChI=1S/C21H21NO/c1-21(2,3)22-15-18(20(23)17-12-8-5-9-13-17)14-19(22)16-10-6-4-7-11-16/h4-15H,1-3H3	C21H21NO	303.398	2	0	22	3	4	1	0.782999999999999	5.56308	3.55	7.591	27.7445	99.6850000000001	2.5132	298.061618343129
Cond-011734	NSC150432	150432	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	60.3969654775959	n1c2c(cc(Cl)cc2c2ccccc2c1NCCO)N(=O)=O	InChI=1S/C15H12ClN3O3/c16-9-7-12-10-3-1-2-4-11(10)15(17-5-6-20)18-14(12)13(8-9)19(21)22/h1-4,7-8,20H,5-6H2,(H,17,18)	C15H12ClN3O3	317.727	6	2	88.29	3	4	0	0.5469	4.17988	2.34	3.616	24.7946	90.5125	2.1502	251.707210876617
Cond-011735	NSC150954	150954	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.35714280463848	S1C(=NC(CC1)(C)C)/C=C/c1ccccc1	InChI=1S/C14H17NS/c1-14(2)10-11-16-13(15-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3	C14H17NS	231.356	1	0	37.66	2	2	1	1.3041	3.72878	2.78	5.609	45.6274	73.818	1.9123	231.4108168231
Cond-011736	NSC150954	150954	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	S1C(=NC(CC1)(C)C)/C=C/c1ccccc1	InChI=1S/C14H17NS/c1-14(2)10-11-16-13(15-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3	C14H17NS	231.356	1	0	37.66	2	2	1	1.3041	3.72878	2.78	5.609	45.6274	73.818	1.9123	231.4108168231
Cond-011737	NSC150982	150982	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.2914997277314	[nH]1c2ccccc2cc1/C=C/N(=O)=O	InChI=1S/C10H8N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-7,11H/b6-5+	C10H8N2O2	188.183	4	1	58.93	2	2	0	-0.3686	1.60969	2.12	2.958	16.7818	55.571	1.3594	158.758609170523
Cond-011738	NSC150982	150982	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c2ccccc2cc1/C=C/N(=O)=O	InChI=1S/C10H8N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-7,11H/b6-5+	C10H8N2O2	188.183	4	1	58.93	2	2	0	-0.3686	1.60969	2.12	2.958	16.7818	55.571	1.3594	158.758609170523
Cond-011739	NSC151252	151252	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	29.5103451436827	Brc1ccc2c(c1)c1ccccc1cc2C(=O)O	InChI=1S/C15H9BrO2/c16-10-5-6-12-13(8-10)11-4-2-1-3-9(11)7-14(12)15(17)18/h1-8H,(H,17,18)	C15H9BrO2	301.135	2	1	37.3	3	1	1	0.649	4.42209	2.78	5.797	15.8184	79.1348	1.8447	213.999254758689
Cond-011740	NSC151262	151262	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	86.0413550716045	Brc1ccc(cc1)/C(=C/c1cccnc1)/C#N	InChI=1S/C14H9BrN2/c15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11/h1-8,10H	C14H9BrN2	285.139	2	0	36.68	2	2	0	1.1957	3.68288	2.67	4.078	23.8962	71.527	1.8516	221.736337148034
Cond-011741	NSC15133	15133	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.496558465607	N1(CCC2(OCCCC2C1)O)C	InChI=1S/C9H17NO2/c1-10-5-4-9(11)8(7-10)3-2-6-12-9/h8,11H,2-7H2,1H3	C9H17NO2	171.237	3	1	32.7	2	0	0	-1.0706	0.4371	2.12	0.218	42.2934	45.7398	1.3767	168.084616541289
Cond-011742	NSC151721	151721	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	15.1372982562381	O=C1CCCCC/C=C(/C1(CCC(=O)OCC)C(=O)OC)\C(=O)OC	InChI=1S/C18H26O7/c1-4-25-15(20)11-12-18(17(22)24-3)13(16(21)23-2)9-7-5-6-8-10-14(18)19/h9H,4-8,10-12H2,1-3H3/b13-9+	C18H26O7	354.395	7	0	95.97	1	9	0	-0.553800000000001	2.28178	2.67	2.239	84.4744	91.48	2.7321	355.877016665529
Cond-011743	NSC151721	151721	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C1CCCCC/C=C(/C1(CCC(=O)OCC)C(=O)OC)\C(=O)OC	InChI=1S/C18H26O7/c1-4-25-15(20)11-12-18(17(22)24-3)13(16(21)23-2)9-7-5-6-8-10-14(18)19/h9H,4-8,10-12H2,1-3H3/b13-9+	C18H26O7	354.395	7	0	95.97	1	9	0	-0.553800000000001	2.28178	2.67	2.239	84.4744	91.48	2.7321	355.877016665529
Cond-011744	NSC151888	151888	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	17.4206884337461	n1c2ccc(cc2ccc1/C=C/c1ccc(cc1)N(CCC)CCC)OCC	InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3	C25H30N2O	374.518	3	0	25.36	3	9	1	0.229399999999999	6.54388000000001	3.88	7.452	51.8712	120.264	3.1766	378.242317054764
Cond-011745	NSC151888	151888	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccc(cc2ccc1/C=C/c1ccc(cc1)N(CCC)CCC)OCC	InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3	C25H30N2O	374.518	3	0	25.36	3	9	1	0.229399999999999	6.54388000000001	3.88	7.452	51.8712	120.264	3.1766	378.242317054764
Cond-011746	NSC151901	151901	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.572417219276	O(C(=O)Nc1ccccc1)CCC#C	InChI=1S/C11H11NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h1,4-8H,3,9H2,(H,12,13)	C11H11NO2	189.211	3	1	38.33	1	5	0	0.9481	2.53607	2.34	2.85	25.721	57.3147	1.5091	188.314292289022
Cond-011747	NSC152393	152393	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.7999205663429	n1c2scc(Br)c2ccc1	InChI=1S/C7H4BrNS/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H	C7H4BrNS	214.082	1	0	41.13	2	0	0	1.4794	3.46399	1.9	2.574	16.3926	48.361	1.144	121.3590021204
Cond-011748	NSC152551	152551	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	17.8867404127139	n1(c2ccccc2cc1C(=O)c1ccncc1)C	InChI=1S/C15H12N2O/c1-17-13-5-3-2-4-12(13)10-14(17)15(18)11-6-8-16-9-7-11/h2-10H,1H3	C15H12N2O	236.269	3	0	34.89	3	2	0	-0.1483	3.17788	2.78	3.296	13.9407	74.651	1.8106	207.918929496895
Cond-011749	NSC152632	152632	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.357147206324	c1(nc(OCC)ns1)OCC	InChI=1S/C6H10N2O2S/c1-3-9-5-7-6(10-4-2)11-8-5/h3-4H2,1-2H3	C6H10N2O2S	174.221	4	0	72.48	1	4	0	0.9878	1.19828	1.57	1.21	31.0127	39.84	1.2399	141.885988228656
Cond-011750	NSC153172	153172	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.539359632054	N(=N\c1ccccc1C(=O)O)/c1cc(c(cc1)O)OC	InChI=1S/C14H12N2O4/c1-20-13-8-9(6-7-12(13)17)15-16-11-5-3-2-4-10(11)14(18)19/h2-8,17H,1H3,(H,18,19)	C14H12N2O4	272.256	6	2	91.48	2	4	0	-0.7519	3.38048	2.34	3.719	17.0997	76.0726	1.9544	240.250083673512
Cond-011751	NSC153330	153330	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	75.5722157674045	s1c2CCCCc2c2c1[nH]c(nc2=O)C	InChI=1S/C11H12N2OS/c1-6-12-10(14)9-7-4-2-3-5-8(7)15-11(9)13-6/h2-5H2,1H3,(H,12,13,14)	C11H12N2OS	220.291	3	1	69.7	3	0	0	-0.9038	3.07717	2.23	2.073	41.7984	66.1027	1.5825	189.589849854228
Cond-011752	NSC153365	153365	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.302293285198	O1CC(C(C(C1OC)O)NC(=O)N(N=O)C)O	InChI=1S/C8H15N3O6/c1-11(10-15)8(14)9-5-4(12)3-17-7(16-2)6(5)13/h4-7,12-13H,3H2,1-2H3,(H,9,14)	C8H15N3O6	249.221	9	3	120.69	1	5	0	-1.2618	-2.1118	1.35	-1.08	53.9439	53.4073	1.6928	215.0266004332
Cond-011753	NSC153391	153391	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.376277050376	S(C1CC(=O)N(C1=O)c1ccccc1OC)c1ccccc1N	InChI=1S/C17H16N2O3S/c1-22-13-8-4-3-7-12(13)19-16(20)10-15(17(19)21)23-14-9-5-2-6-11(14)18/h2-9,15H,10,18H2,1H3	C17H16N2O3S	328.386	5	2	97.93	3	4	0	-1.0917	2.89567	2.67	2.43	39.5864	89.9224	2.3733	289.500376207351
Cond-011754	NSC153399	153399	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	12.3914755595668	O=C1c2ccccc2CC1C(=O)c1cccnc1	InChI=1S/C15H11NO2/c17-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)15(13)18/h1-7,9,13H,8H2	C15H11NO2	237.253	3	0	47.03	3	2	0	-0.3511	2.28789	2.78	2.742	19.0682	69.5555	1.7695	216.612395989289
Cond-011755	NSC153399	153399	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C1c2ccccc2CC1C(=O)c1cccnc1	InChI=1S/C15H11NO2/c17-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)15(13)18/h1-7,9,13H,8H2	C15H11NO2	237.253	3	0	47.03	3	2	0	-0.3511	2.28789	2.78	2.742	19.0682	69.5555	1.7695	216.612395989289
Cond-011756	NSC15358	15358	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7724675768422	c1ccccc1Nc1ccc(cc1N(=O)=O)S(=O)(=O)N	InChI=1S/C12H11N3O4S/c13-20(18,19)10-6-7-11(12(8-10)15(16)17)14-9-4-2-1-3-5-9/h1-8,14H,(H2,13,18,19)	C12H11N3O4S	293.298	7	3	123.71	2	4	0	-0.6968	2.95878	1.9	3.528	18.3316	72.0071	1.9789	237.800357388345
Cond-011757	NSC15359	15359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.820283675683	c1ccccc1Nc1ccc(cc1S(=O)(=O)O)N	InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)	C12H12N2O3S	264.3	5	4	100.8	2	3	0	-1.7118	3.37308	2.12	3.175	18.4415	66.3329	1.8634	220.649829180417
Cond-011758	NSC15362	15362	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.212865436315	c1(cc(ccc1)NC(=O)c1ccc(cc1)N)N	InChI=1S/C13H13N3O/c14-10-6-4-9(5-7-10)13(17)16-12-3-1-2-11(15)8-12/h1-8H,14-15H2,(H,16,17)	C13H13N3O	227.262	4	5	81.14	2	3	0	-2.1346	2.67178	2.45	2.095	15.8857	72.9265	1.7802	210.216637854928
Cond-011759	NSC15364	15364	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.883846865914	c1cc(ccc1NC(=O)Nc1ccc(cc1)N)N	InChI=1S/C13H14N4O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,14-15H2,(H2,16,17,18)	C13H14N4O	242.276	5	6	93.17	2	4	0	-2.1275	3.29317	2.34	1.954	18.3868	77.6902	1.88	221.213398063095
Cond-011760	NSC15372	15372	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	10.4222444882189	c1cc(ccc1Nc1cc2ccccc2cc1)O	InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H	C16H13NO	235.281	2	2	32.26	3	2	1	-0.8807	5.25968	3	5.612	5.8646	77.9997	1.8517	214.218153914595
Cond-011761	NSC15372	15372	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(ccc1Nc1cc2ccccc2cc1)O	InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H	C16H13NO	235.281	2	2	32.26	3	2	1	-0.8807	5.25968	3	5.612	5.8646	77.9997	1.8517	214.218153914595
Cond-011762	NSC153792	153792	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.177357933063	c1cc(ccc1NC(=O)Nc1ccccc1C(=O)N)C	InChI=1S/C15H15N3O2/c1-10-6-8-11(9-7-10)17-15(20)18-13-5-3-2-4-12(13)14(16)19/h2-9H,1H3,(H2,16,19)(H2,17,18,20)	C15H15N3O2	269.298	5	4	84.22	2	5	0	-0.6205	3.026	2.56	3.697	22.8862	80.9478	2.0777	250.962375106423
Cond-011763	NSC154127	154127	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.78037991108485	Clc1c(Cl)c(nnc1Cl)NC1CCCCC1	InChI=1S/C10H12Cl3N3/c11-7-8(12)10(16-15-9(7)13)14-6-4-2-1-3-5-6/h6H,1-5H2,(H,14,16)	C10H12Cl3N3	280.581	3	1	37.81	2	2	0	0.111499999999999	4.58659	1.9	3.295	38.5893	68.5987	1.838	216.617495391267
Cond-011764	NSC154127	154127	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c(Cl)c(nnc1Cl)NC1CCCCC1	InChI=1S/C10H12Cl3N3/c11-7-8(12)10(16-15-9(7)13)14-6-4-2-1-3-5-6/h6H,1-5H2,(H,14,16)	C10H12Cl3N3	280.581	3	1	37.81	2	2	0	0.111499999999999	4.58659	1.9	3.295	38.5893	68.5987	1.838	216.617495391267
Cond-011765	NSC154295	154295	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8322766681097	C(#C)COCC1OC(=O)N(c2ccccc2)C1	InChI=1S/C13H13NO3/c1-2-8-16-10-12-9-14(13(15)17-12)11-6-4-3-5-7-11/h1,3-7,12H,8-10H2	C13H13NO3	231.247	4	0	38.77	2	4	0	0.5112	1.86627	2.45	2.471	35.7106	66.342	1.741	219.340029540517
Cond-011766	NSC154316	154316	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.308782340112	n1c(nc2n(c1O)ncn2)O	InChI=1S/C4H3N5O2/c10-3-7-2-5-1-6-9(2)4(11)8-3/h1H,(H2,5,6,7,8,10,11)	C4H3N5O2	153.099	7	2	96.43	2	0	0	-0.9074	0.11147	1.13	-1.172	8.0272	36.4078	0.899400000000001	93.2458994414225
Cond-011767	NSC154389	154389	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.9261195723812	Clc1ccc(cc1)/C=C/c1nc(Cl)c(c2ccc(Cl)cc2)c(n1)Cl	InChI=1S/C18H10Cl4N2/c19-13-6-1-11(2-7-13)3-10-15-23-17(21)16(18(22)24-15)12-4-8-14(20)9-5-12/h1-10H	C18H10Cl4N2	396.097	2	0	25.78	3	3	1	3.0238	7.08958	2.78	6.794	33.7542	102.949	2.5782	306.588010354068
Cond-011768	NSC154585	154585	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.3334881594481	O=C1N(C(=O)N(c2ccc(cc2)C)C(=O)C1=CN)c1ccc(cc1)C	InChI=1S/C19H17N3O3/c1-12-3-7-14(8-4-12)21-17(23)16(11-20)18(24)22(19(21)25)15-9-5-13(2)6-10-15/h3-11H,20H2,1-2H3	C19H17N3O3	335.357	6	2	83.71	3	2	1	-0.589399999999999	3.2993	2.89	5.121	43.3921	96.6234	2.5054	311.307164208051
Cond-011769	NSC154587	154587	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.1988748375113	n1c(cc(n2nc(nc12)N)C(C)C)C(C)C	InChI=1S/C11H17N5/c1-6(2)8-5-9(7(3)4)16-11(13-8)14-10(12)15-16/h5-7H,1-4H3,(H2,12,15)	C11H17N5	219.286	5	2	69.1	2	2	0	0.4091	3.16887	2.12	1.999	35.6557	66.4954	1.7683	196.737338421367
Cond-011770	NSC154718	154718	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.328132899364	n1c2c(c3n(nc(c3)C)c1)cccc2	InChI=1S/C11H9N3/c1-8-6-11-9-4-2-3-5-10(9)12-7-14(11)13-8/h2-7H,1H3	C11H9N3	183.209	3	0	30.19	3	0	0	0.4527	3.1808	2.34	2.791	8.6305	57.522	1.3741	146.214441902634
Cond-011771	NSC155196	155196	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.196309693823	n1c2ccccc2ncc1CC#N	InChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2	C10H7N3	169.183	3	0	49.57	2	1	0	0.0694999999999999	2.16728	2.23	1.531	10.7478	51.414	1.2988	149.538457276767
Cond-011772	NSC155698	155698	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	53.785629015414	N1c2ccncc2Sc2c1cccc2	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)13-9-5-6-12-7-11(9)14-10/h1-7,13H	C11H8N2S	200.26	2	1	50.22	3	0	0	0.1702	3.32298	2.34	2.515	11.0935	53.9797	1.4378	164.626705752067
Cond-011773	NSC155703	155703	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7295170063508	n1ccc(n2nnc3c2cccc3)cc1	InChI=1S/C11H8N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-8H	C11H8N4	196.208	4	0	43.08	3	1	0	0.0132	2.65008	2.23	2.469	2.898	59.184	1.4309	154.57474341
Cond-011774	NSC15571	15571	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	95.1453216303321	O=[As](c1ccccc1C(=O)O)(O)O	InChI=1S/C7H7AsO5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4H,(H,9,10)(H2,11,12,13)	C7H7AsO5	246.049	5	3	94.83	1	2	0	-0.4957	-1.08581	1.57	1.593	13.2178	46.9349	1.3579	161.697268759039
Cond-011775	NSC156516	156516	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7301747838861	S(c1ccccc1)c1c2C(=O)c3c(Sc4ccccc4)cccc3C(=O)c2ccc1	InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H	C26H16O2S2	424.534	2	0	84.74	5	4	1	0.6536	5.59897	3.88	8.09	26.279	115.2045	3.0714	370.557845174457
Cond-011776	NSC156563	156563	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9531875770403	N(=N\c1c2ccccc2cc(c1O)C(=O)O)/c1ccc(cc1)CC(=O)O	InChI=1S/C19H14N2O5/c22-16(23)9-11-5-7-13(8-6-11)20-21-17-14-4-2-1-3-12(14)10-15(18(17)24)19(25)26/h1-8,10,24H,9H2,(H,22,23)(H,25,26)	C19H14N2O5	350.325	7	3	119.55	3	5	1	-0.9051	4.15218	2.78	5.829	21.5524	98.3664	2.48	304.354398700207
Cond-011777	NSC156565	156565	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.4750817737948	O=C1c2c(ccc(c2C(=O)c2c1cccc2)O)Nc1ccc(cc1)CCO	InChI=1S/C22H17NO4/c24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h1-10,23-25H,11-12H2	C22H17NO4	359.375	5	3	86.63	4	4	0	-1.6014	4.38507	3.33	3.719	28.2852	107.612	2.6356	324.098906968279
Cond-011778	NSC156571	156571	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.985936594744	N1(C(CC(=O)CC1(C)C)(C)C)O	InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3	C9H17NO2	171.237	3	1	40.54	1	0	0	0.546899999999999	1.83159	2.12	0.354	47.443	49.2675	1.4423	177.804616541289
Cond-011779	NSC156616	156616	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.591953631632	N1(CCN(c2nncs2)C1=O)N(=O)=O	InChI=1S/C5H5N5O3S/c11-5-8(4-7-6-3-14-4)1-2-9(5)10(12)13/h3H,1-2H2	C5H5N5O3S	215.19	8	0	120.71	2	2	0	0.646200000000001	-0.04412	1.02	-0.0670000000000002	31.0505	51.503	1.2625	148.74113482545
Cond-011780	NSC156957	156957	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.7880071458702	N1(C(CCC1=O)C(=O)O)C(=O)OCc1ccccc1	InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)	C13H13NO5	263.246	6	1	83.91	2	5	0	-0.846	1.29319	2.23	2.264	36.4494	66.6178	1.8584	236.920482941639
Cond-011781	NSC157522	157522	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.3008224748893	n1c(c(C(=C(C)C)c2ccc(Cl)cc2)c(nc1)N)N	InChI=1S/C14H15ClN4/c1-8(2)11(9-3-5-10(15)6-4-9)12-13(16)18-7-19-14(12)17/h3-7H,1-2H3,(H4,16,17,18,19)	C14H15ClN4	274.749	4	4	77.82	2	2	0	0.6051	3.76377	2.45	2.947	32.9424	80.6988	2.0846	244.930223758834
Cond-011782	NSC157725	157725	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6442211211566	O=C1N(c2c(C(=NC1)c1ncccc1)cc(Cl)cc2)CC(=O)O	InChI=1S/C16H12ClN3O3/c17-10-4-5-13-11(7-10)16(12-3-1-2-6-18-12)19-8-14(21)20(13)9-15(22)23/h1-7H,8-9H2,(H,22,23)	C16H12ClN3O3	329.738	6	1	82.86	3	3	0	-0.6395	2.66227	2.45	1.593	36.0035	90.6658	2.2481	277.266736801684
Cond-011783	NSC15776	15776	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.7075693934026	c1c([nH]c2c1cccc2)c1ccccc1	InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H	C14H11N	193.244	1	1	15.79	3	1	1	-0.4204	3.4014	2.89	5.432	3.3	65.051	1.5542	173.4724166631
Cond-011784	NSC157767	157767	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0627440035763	O=c1[nH]c(ccc1C(=O)OC)C(=O)OC	InChI=1S/C9H9NO5/c1-14-8(12)5-3-4-6(9(13)15-2)10-7(5)11/h3-4H,1-2H3,(H,10,11)	C9H9NO5	211.171	6	1	81.7	1	4	0	-0.3192	-0.64123	1.79	0.119	50.1631	51.0437	1.4464	193.629461839772
Cond-011785	NSC15784	15784	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.04706906718103	n1c2ccccc2c(cc1)/C=C/c1ccccc1Cl	InChI=1S/C17H12ClN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H	C17H12ClN	265.737	1	0	12.89	3	2	1	1.2121	5.17218	3.11	6.442	15.9342	81.31	2.0133	235.298520909534
Cond-011786	NSC15784	15784	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccccc2c(cc1)/C=C/c1ccccc1Cl	InChI=1S/C17H12ClN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H	C17H12ClN	265.737	1	0	12.89	3	2	1	1.2121	5.17218	3.11	6.442	15.9342	81.31	2.0133	235.298520909534
Cond-011787	NSC157940	157940	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.7308600933845	O=C1C=C2C(CCCC2(C(=C1)OCCO)C)(C)C	InChI=1S/C15H22O3/c1-14(2)5-4-6-15(3)12(14)9-11(17)10-13(15)18-8-7-16/h9-10,16H,4-8H2,1-3H3	C15H22O3	250.333	3	1	46.53	2	3	0	0.247999999999998	2.69097	2.78	2.426	71.9384	72.6528	2.052	261.744614686484
Cond-011788	NSC158413	158413	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.629723092177	S(c1cc(ccc1)c1nc2ccc(cc2c(Cl)c1)S(=O)(=O)F)c1ccccc1	InChI=1S/C21H13ClFNO2S2/c22-19-13-21(24-20-10-9-17(12-18(19)20)28(23,25)26)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-13H	C21H13ClFNO2S2	429.915	3	0	80.71	4	4	1	1.1085	6.76517	3	6.685	23.552	104.321	2.8444	336.61914367723
Cond-011789	NSC158549	158549	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	87.2448004852038	n1n(nc2c1c1ccccc1cc2)c1ccccc1N	InChI=1S/C16H12N4/c17-13-7-3-4-8-15(13)20-18-14-10-9-11-5-1-2-6-12(11)16(14)19-20/h1-10H,17H2	C16H12N4	260.293	4	2	56.21	4	1	0	-0.7367	3.99048	2.78	4.5	7.1201	83.3074	1.9408	212.525290436934
Cond-011790	NSC158959	158959	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.166272160798	Clc1c(ccc(Cl)c1)C(=O)Nc1cc2ccccc2cc1	InChI=1S/C17H11Cl2NO/c18-13-6-8-15(16(19)10-13)17(21)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,21)	C17H11Cl2NO	316.181	2	1	29.1	3	3	1	0.8538	5.96738	2.89	6.434	18.6727	91.6277	2.1944	259.299815380528
Cond-011791	NSC159031	159031	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.518544889249	[nH]1c(c2ccccc2)cc2c1ccc(c2)OC	InChI=1S/C15H13NO/c1-17-13-7-8-14-12(9-13)10-15(16-14)11-5-3-2-4-6-11/h2-10,16H,1H3	C15H13NO	223.27	2	1	25.02	3	2	0	-0.4722	4.31598	2.89	4.777	10.6158	74.705	1.7538	199.558627989528
Cond-011792	NSC159092	159092	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2603652053524	S(C1CC(=O)N(C1=O)c1ccccc1Cl)c1ccccc1N	InChI=1S/C16H13ClN2O2S/c17-10-5-1-3-7-12(10)19-15(20)9-14(16(19)21)22-13-8-4-2-6-11(13)18/h1-8,14H,9,18H2	C16H13ClN2O2S	332.805	4	2	88.7	3	3	0	-0.2956	3.54047	2.56	2.97	37.8862	88.3804	2.2961	278.625232651356
Cond-011793	NSC15910	15910	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.384764709203	O1c2ccc(cc2C(OC1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)S(=O)(=O)O	InChI=1S/C10H6Cl6O5S/c11-9(12,13)7-5-3-4(22(17,18)19)1-2-6(5)20-8(21-7)10(14,15)16/h1-3,7-8H,(H,17,18,19)	C10H6Cl6O5S	450.935	5	1	81.21	2	3	0	2.6085	5.17819	1.24	3.743	62.611	82.3238	2.3628	291.720575638472
Cond-011794	NSC159242	159242	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	107.95488264462	O(c1c(cc(OC(=O)COC)cc1c1ccc(cc1C)C)c1ccc(cc1C)C)C(=O)COC	InChI=1S/C28H30O6/c1-17-7-9-22(19(3)11-17)24-13-21(33-26(29)15-31-5)14-25(28(24)34-27(30)16-32-6)23-10-8-18(2)12-20(23)4/h7-14H,15-16H2,1-6H3	C28H30O6	462.534	6	0	71.06	3	10	1	1.8786	5.62326000000001	3.88	8.644	58.3474	136.295	3.6072	446.814966617236
Cond-011795	NSC159398	159398	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	94.4668036006614	Ic1cc(I)c[nH]c1=O	InChI=1S/C5H3I2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)	C5H3I2NO	346.892	2	1	29.1	1	0	0	0.3448	1.79777	1.57	1.933	51.9594	55.0517	1.2504	145.111137276193
Cond-011796	NSC159566	159566	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	5.22620660345392	O=C1C(=C(c2c(cc(c(Br)c2C)C)C)C(=O)C(=C1C)O)O	InChI=1S/C16H15BrO4/c1-6-5-7(2)12(17)8(3)10(6)11-15(20)13(18)9(4)14(19)16(11)21/h5,18,21H,1-4H3	C16H15BrO4	351.192	4	2	74.6	2	1	0	2.3474	2.81814	2.67	4.135	62.7075	82.1306	2.2546	285.668610187278
Cond-011797	NSC159632	159632	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.55524926044	O=C1[C@@]([C@H](C2=COC(=CC2=C1C=O)C)O)(O)C	InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1	C12H12O5	236.221	5	2	83.83	2	1	0	-1.1384	0.00685999999999992	2.23	-0.303	61.419	60.0856	1.6607	222.164196808406
Cond-011798	NSC159686	159686	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.909138977068	O=C(c1c(cc(cc1)NC(=O)c1ccccc1)O)O	InChI=1S/C14H11NO4/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)	C14H11NO4	257.241	5	3	86.63	2	4	0	-1.3349	2.31109	2.45	4.045	17.2254	72.4828000000001	1.8546	229.253323465345
Cond-011799	NSC160005	160005	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.189082871134	C1CCC(CC1)NC1=NCCO1	InChI=1S/C9H16N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h8H,1-7H2,(H,10,11)	C9H16N2O	168.236	3	1	33.62	2	2	0	-1.6172	1.19259	2.12	1.969	37.2434	49.0777	1.3748	167.654691348095
Cond-011800	NSC16021	16021	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.7904847882084	c1c(c(=O)[nH]cc1Cl)Cl	InChI=1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)	C5H3Cl2NO	163.989	2	1	29.1	1	0	0	0.5172	1.40537	1.57	1.041	36.7528	38.7177	0.9788	124.979669476528
Cond-011801	NSC1614	1614	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	48.9900651931442	O=C1C[C@@]2([C@@H]([C@H](C)CCC(=O)O)CC[C@]2([C@H]2[C@H]1[C@]1(CC[C@@H](C([C@@H]1CC2=O)(C)C)O)C)C)C	InChI=1S/C27H42O5/c1-15(7-8-21(31)32)16-9-12-26(5)23-17(28)13-19-24(2,3)20(30)10-11-25(19,4)22(23)18(29)14-27(16,26)6/h15-16,19-20,22-23,30H,7-14H2,1-6H3,(H,31,32)/t15-,16-,19+,20+,22+,23-,25+,26+,27-/m1/s1	C27H42O5	446.619	5	2	91.67	4	4	0	0.583900000000002	5.12519000000001	3.88	4.776	120.191	125.0616	3.643	462.163966196409
Cond-011802	NSC16162	16162	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3737401310842	c1(c(cccc1)NCC)C(=O)O	InChI=1S/C9H11NO2/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)	C9H11NO2	165.189	3	2	49.33	1	3	0	-0.3075	1.78499	2.12	2.456	20.5098	50.5865	1.3133	158.995240438889
Cond-011803	NSC1620	1620	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.409670668804	n1c(c2c(nc1)[nH]nc2)NCc1occc1	InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-5-14-15-10(8)13-6-12-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	C10H9N5O	215.211	6	2	79.63	3	3	0	-0.9833	1.12259	1.9	0.953	12.9313	60.8647	1.4915	159.702204393662
Cond-011804	NSC162188	162188	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.325815525356	O=n1ccc(cc1)CC(C(F)(F)F)(O)C(F)(F)F	InChI=1S/C9H7F6NO2/c10-8(11,12)7(17,9(13,14)15)5-6-1-3-16(18)4-2-6/h1-4,17H,5H2	C9H7F6NO2	275.148	3	1	45.69	1	4	0	1.7489	2.5133	1.46	2.757	23.9343	48.3678	1.4625	198.037052241527
Cond-011805	NSC162292	162292	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.5839478406183	O1C(=NCC1)NC1CCCCCCC1	InChI=1S/C11H20N2O/c1-2-4-6-10(7-5-3-1)13-11-12-8-9-14-11/h10H,1-9H2,(H,12,13)	C11H20N2O	196.289	3	1	33.62	2	2	0	-2.1932	1.97279	2.34	3.107	43.0666	58.3117	1.6566	202.246660599828
Cond-011806	NSC162915	162915	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.825099082244	n1ccc2n(nnc2c1)c1ccncc1	InChI=1S/C10H7N5/c1-4-11-5-2-8(1)15-10-3-6-12-7-9(10)13-14-15/h1-7H	C10H7N5	197.196	5	0	55.97	3	1	0	0.0132	2.04508	2.01	1.073	2.898	56.979	1.3898	148.2755189923
Cond-011807	NSC163104	163104	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.07300257946	S=c1[nH]c(=O)c(c([nH]1)C)CCCC	InChI=1S/C9H14N2OS/c1-3-4-5-7-6(2)10-9(13)11-8(7)12/h3-5H2,1-2H3,(H2,10,11,12,13)	C9H14N2OS	198.285	3	2	73.22	1	3	0	-0.0495000000000008	1.61498	2.01	2.036	53.621	59.0744	1.5609	193.247256704895
Cond-011808	NSC163144	163144	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6744325591904	[nH]1c2ccccc2c(c1)/C=C(\C#N)/C(=O)N	InChI=1S/C12H9N3O/c13-6-8(12(14)16)5-9-7-15-11-4-2-1-3-10(9)11/h1-5,7,15H,(H2,14,16)/b8-5+	C12H9N3O	211.219	4	3	82.67	2	2	0	-0.7483	1.36697	2.34	1.205	26.0386	63.0124	1.5963	190.284194528262
Cond-011809	NSC163158	163158	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.550618203087	c1(cc(c2c(n1)[nH]nc2O)O)C	InChI=1S/C7H7N3O2/c1-3-2-4(11)5-6(8-3)9-10-7(5)12/h2H,1H3,(H3,8,9,10,11,12)	C7H7N3O2	165.149	5	3	82.03	2	0	0	-0.9015	1.1509	1.68	0.642	14.1617	46.0578	1.1225	123.140332902689
Cond-011810	NSC163443	163443	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	94.3768225947069	n1ccc2c(c3n(c4c(c3c(c2c1)C)cccc4)CCOC(=O)c1ccccc1)C	InChI=1S/C26H22N2O2/c1-17-22-16-27-13-12-20(22)18(2)25-24(17)21-10-6-7-11-23(21)28(25)14-15-30-26(29)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3	C26H22N2O2	394.465	4	0	44.12	5	5	1	1.2293	5.68403000000001	3.88	6.954	29.6183	123.078	3.03000000000001	349.906234877191
Cond-011811	NSC163639	163639	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	16.9974741404893	Clc1cc2S(=O)(=O)N(C(Nc2cc1Cl)(C(=O)OC)CC(=O)OC)O	InChI=1S/C12H12Cl2N2O7S/c1-22-10(17)5-12(11(18)23-2)15-8-3-6(13)7(14)4-9(8)24(20,21)16(12)19/h3-4,15,19H,5H2,1-2H3	C12H12Cl2N2O7S	399.204	9	2	130.62	2	5	0	-0.251400000000001	2.01718	1.46	1.599	59.064	80.3492	2.386	299.769330224328
Cond-011812	NSC163802	163802	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	106.274867181289	O(c1ccc(cc1)N(=O)=O)C(=O)c1ccc(cc1)N	InChI=1S/C13H10N2O4/c14-10-3-1-9(2-4-10)13(16)19-12-7-5-11(6-8-12)15(17)18/h1-8H,14H2	C13H10N2O4	258.23	6	2	95.46	2	4	0	-0.1809	2.72438	2.23	3.543	14.4038	75.8654	1.8135	222.954099047645
Cond-011813	NSC163823	163823	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.425706968462	Clc1ccc(cc1)c1nc2n(nc(c2nc1)NC(=O)C(F)(F)F)C	InChI=1S/C14H9ClF3N5O/c1-23-12-10(11(22-23)21-13(24)14(16,17)18)19-6-9(20-12)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,21,22,24)	C14H9ClF3N5O	355.702	6	1	72.7	3	4	0	1.3231	4.87726	1.9	2.597	28.0864	87.8867	2.1446	257.026969816881
Cond-011814	NSC163910	163910	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.407765097126	O(c1ccc(cc1N(=O)=O)N(=O)=O)c1ccc(cc1)Nc1ccc(cc1N(=O)=O)N(=O)=O	InChI=1S/C18H11N5O9/c24-20(25)12-3-7-15(16(9-12)22(28)29)19-11-1-5-14(6-2-11)32-18-8-4-13(21(26)27)10-17(18)23(30)31/h1-10,19H	C18H11N5O9	441.308	14	1	193.82	3	8	1	2.0659	5.95407	1.9	6.782	20.4791	120.2077	2.7873	349.936684099485
Cond-011815	NSC163920	163920	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.221716355397	[nH]1c2c(nc1)ccc1c2cc(cc1)O	InChI=1S/C11H8N2O/c14-8-3-1-7-2-4-10-11(9(7)5-8)13-6-12-10/h1-6,14H,(H,12,13)	C11H8N2O	184.194	3	2	48.91	3	0	0	-0.8807	2.71558	2.34	1.762	5.8646	59.157	1.333	144.007908395028
Cond-011816	NSC16416	16416	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.983781560555	c1ccccc1C(C1(CCCCC1)O)C(=O)O	InChI=1S/C14H18O3/c15-13(16)12(11-7-3-1-4-8-11)14(17)9-5-2-6-10-14/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)	C14H18O3	234.291	3	2	57.53	2	3	0	-1.4825	2.78389	2.67	4.492	33.3469	68.0966000000001	1.8681	230.912171359817
Cond-011817	NSC164208	164208	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.8153072209	c1c(c(ccc1)CC)NC(=O)NCCCC	InChI=1S/C13H20N2O/c1-3-5-10-14-13(16)15-12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3,(H2,14,15,16)	C13H20N2O	220.311	3	2	41.13	1	7	0	-0.8339	3.36868	2.56	3.924	36.7272	70.8464	1.918	230.385712449961
Cond-011818	NSC16437	16437	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.039306846163	O(c1ccccc1)C(=O)c1c2c(cccc2ccc1)C(=O)Oc1ccccc1	InChI=1S/C24H16O4/c25-23(27-18-11-3-1-4-12-18)20-15-7-9-17-10-8-16-21(22(17)20)24(26)28-19-13-5-2-6-14-19/h1-16H	C24H16O4	368.381	4	0	52.6	4	6	1	-0.1822	6.24817	3.66	9.085	12.5834	113.8925	2.7316	331.521198610246
Cond-011819	NSC164435	164435	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	43.4041759225959	Clc1c(cccc1)NC(=O)Nc1ccc(cc1)Nc1ccccc1	InChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)23-19(24)22-16-12-10-15(11-13-16)21-14-6-2-1-3-7-14/h1-13,21H,(H2,22,23,24)	C19H16ClN3O	337.803	4	3	53.16	3	6	1	-0.3038	7.12586	3	6.013	18.8582	103.8431	2.5104	298.037778577362
Cond-011820	NSC164459	164459	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0169465584275	O(c1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)N	InChI=1S/C15H13ClN2O3/c16-10-5-7-11(8-6-10)21-9-14(19)18-13-4-2-1-3-12(13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)	C15H13ClN2O3	304.728	5	3	81.42	2	6	0	-0.8812	2.92558	2.45	3.101	26.6797	85.6191	2.159	263.966909369251
Cond-011821	NSC164464	164464	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.245846317136	Clc1c(cccc1)C(=O)Nc1ccccc1C(=O)N	InChI=1S/C14H11ClN2O2/c15-11-7-3-1-5-9(11)14(19)17-12-8-4-2-6-10(12)13(16)18/h1-8H,(H2,16,18)(H,17,19)	C14H11ClN2O2	274.702	4	3	72.19	2	4	0	-0.5253	2.65959	2.45	3.611	20.4986	77.3866	1.9594	237.880698042823
Cond-011822	NSC164511	164511	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.657463111981	c1cc(cc(c1NC(=O)NCCC)C)C	InChI=1S/C12H18N2O/c1-4-7-13-12(15)14-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15)	C12H18N2O	206.284	3	2	41.13	1	5	0	0.4312	2.52693	2.45	3.109	34.4693	64.3974	1.7771	213.089727824095
Cond-011823	NSC164676	164676	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	5.7635372329323	[nH]1c(N(CCCC(=O)OCC)S(=O)(=O)c2ccc(cc2)C)c(c(c1C)C)C#N	InChI=1S/C20H25N3O4S/c1-5-27-19(24)7-6-12-23(20-18(13-21)15(3)16(4)22-20)28(25,26)17-10-8-14(2)9-11-17/h8-11,22H,5-7,12H2,1-4H3	C20H25N3O4S	403.495	7	1	111.64	2	9	0	0.421300000000001	3.12185	2.78	4.358	65.8321	102.488	3.0631	373.53177569448
Cond-011824	NSC164676	164676	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c(N(CCCC(=O)OCC)S(=O)(=O)c2ccc(cc2)C)c(c(c1C)C)C#N	InChI=1S/C20H25N3O4S/c1-5-27-19(24)7-6-12-23(20-18(13-21)15(3)16(4)22-20)28(25,26)17-10-8-14(2)9-11-17/h8-11,22H,5-7,12H2,1-4H3	C20H25N3O4S	403.495	7	1	111.64	2	9	0	0.421300000000001	3.12185	2.78	4.358	65.8321	102.488	3.0631	373.53177569448
Cond-011825	NSC164678	164678	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7237581081664	O=C1Nc2n(c(c(c2C#N)C)C)CCC1	InChI=1S/C11H13N3O/c1-7-8(2)14-5-3-4-10(15)13-11(14)9(7)6-12/h3-5H2,1-2H3,(H,13,15)	C11H13N3O	203.24	4	1	57.82	2	0	0	0.253	1.72894	2.23	0.742	39.9457	57.3817	1.5844	191.797586004795
Cond-011826	NSC164880	164880	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.96999502355066	n1c(c2ccccc2cc1)/C=C/c1c(c(ccc1)OC)OC	InChI=1S/C19H17NO2/c1-21-18-9-5-7-15(19(18)22-2)10-11-17-16-8-4-3-6-14(16)12-13-20-17/h3-13H,1-2H3	C19H17NO2	291.344	3	0	31.35	3	4	1	0.3642	4.53598	3.22	5.461	24.9502	89.404	2.2901	272.259875791956
Cond-011827	NSC164880	164880	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c(c2ccccc2cc1)/C=C/c1c(c(ccc1)OC)OC	InChI=1S/C19H17NO2/c1-21-18-9-5-7-15(19(18)22-2)10-11-17-16-8-4-3-6-14(16)12-13-20-17/h3-13H,1-2H3	C19H17NO2	291.344	3	0	31.35	3	4	1	0.3642	4.53598	3.22	5.461	24.9502	89.404	2.2901	272.259875791956
Cond-011828	NSC164965	164965	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.2820806440899	Clc1cc(ccc1)NC(=S)N	InChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)	C7H7ClN2S	186.662	2	3	70.14	1	2	0	1.0157	2.59559	1.79	2.09	23.5491	52.1031	1.2998	151.539669822234
Cond-011829	NSC164991	164991	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.49443465754	S(C1CC(=O)N(C1=O)c1cc(Cl)c(Cl)cc1)c1ccccc1N	InChI=1S/C16H12Cl2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2	C16H12Cl2N2O2S	367.25	4	2	88.7	3	3	0	0.4487	4.19387	2.45	3.066	43.5018	93.3904	2.4185	293.83630042179
Cond-011830	NSC165599	165599	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.10110356652	c1cc(ccc1S(=O)(=O)NC(=N)SC)NC(=O)C	InChI=1S/C10H13N3O3S2/c1-7(14)12-8-3-5-9(6-4-8)18(15,16)13-10(11)17-2/h3-6H,1-2H3,(H2,11,13)(H,12,14)	C10H13N3O3S2	287.359	6	3	132.8	1	6	0	-0.3154	2.00705	1.68	1.586	43.6974	70.3821	1.9965	241.45656159605
Cond-011831	NSC165701	165701	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	72.686061859598	n1c(n2c3c1cccc3CCC2)CSc1ccc(cc1)N	InChI=1S/C17H17N3S/c18-13-6-8-14(9-7-13)21-11-16-19-15-5-1-3-12-4-2-10-20(16)17(12)15/h1,3,5-9H,2,4,10-11,18H2	C17H17N3S	295.402	3	2	69.14	4	3	0	-0.3485	3.76097	2.89	4.094	32.115	85.4474	2.2314	253.506456313834
Cond-011832	NSC165704	165704	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7454359933774	o1cccc1C(=O)Nc1c2N(CCCc2ccc1)C(=O)c1occc1	InChI=1S/C19H16N2O4/c22-18(15-8-3-11-24-15)20-14-7-1-5-13-6-2-10-21(17(13)14)19(23)16-9-4-12-25-16/h1,3-5,7-9,11-12H,2,6,10H2,(H,20,22)	C19H16N2O4	336.341	6	1	75.69	4	5	0	-1.7918	4.28638	2.89	3.071	30.6104	95.0732	2.3987	288.480630700446
Cond-011833	NSC165883	165883	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.807022551561	c1c(ccc2c1cccc2)NC(=O)CC(=O)C	InChI=1S/C14H13NO2/c1-10(16)8-14(17)15-13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9H,8H2,1H3,(H,15,17)	C14H13NO2	227.259	3	1	46.17	2	4	0	-0.8539	3.59138	2.67	4.604	22.7611	71.3617	1.7802	214.309328765023
Cond-011834	NSC166259	166259	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	11.6626441177786	*.N1(c2cc(Cl)ccc2Sc2c1cccc2)C(=O)C1=CCCN(C1)C.C(=O)(O)CCC(=O)O		C23H23ClN2O5S	474.957	3	0	48.85	4	2	0	0.822999999999999	4.85146	3	3.966	50.8798	98.409	2.5515	309.366501127596
Cond-011835	NSC16631	16631	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8109053864972	c1(c(ccc(c1)C(=O)O)O)O	InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)	C7H6O4	154.12	4	3	77.76	1	1	0	-1.1604	0.76439	1.79	0.536	12.3485	39.7524	1.0491	130.986964380111
Cond-011836	NSC166375	166375	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	9.74077263800515	Clc1c(c(c(cc1CO)C)NCCN(CC)CC)C.C1CCCCC1NS(=O)(=O)O	InChI=1S/C15H25ClN2O.C6H13NO3S/c1-5-18(6-2)8-7-17-15-11(3)9-13(10-19)14(16)12(15)4;8-11(9,10)7-6-4-2-1-3-5-6/h9,17,19H,5-8,10H2,1-4H3;6-7H,1-5H2,(H,8,9,10)	C21H38ClN3O4S	464.062	3	2	35.5	1	7	0	1.901	2.95734	2.67	2.155	59.5	80.6855	2.3652	282.825208172929
Cond-011837	NSC16646	16646	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.1419757894018	c1c(ccc(c1)C(=O)O)OC(C)C	InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)	C10H12O3	180.2	3	1	46.53	1	3	0	-0.3417	2.14039	2.23	2.472	24.0337	52.1868	1.4131	174.08469155715
Cond-011838	NSC166547	166547	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.4644856635421	Clc1nc2nc3n(CCC3)c2nc1Cl	InChI=1S/C8H6Cl2N4/c9-5-6(10)13-8-7(12-5)11-4-2-1-3-14(4)8/h1-3H2	C8H6Cl2N4	229.066	4	0	43.6	3	0	0	0.5162	3.29487	1.68	1.717	25.6378	56.787	1.382	151.918301175667
Cond-011839	NSC166583	166583	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.897786148459	Clc1nc2[nH]c(nc2nc1Cl)CO	InChI=1S/C6H4Cl2N4O/c7-3-4(8)12-6-5(11-3)9-2(1-13)10-6/h13H,1H2,(H,9,10,11,12)	C6H4Cl2N4O	219.028	5	2	74.69	2	1	0	0.1983	1.19569	1.35	0.263	22.7812	49.6508	1.2675	138.473017325295
Cond-011840	NSC166596	166596	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	89.2701065076795	n1nc2n(nc(o2)c2sccc2)c1c1ccccc1	InChI=1S/C13H8N4OS/c1-2-5-9(6-3-1)11-14-15-13-17(11)16-12(18-13)10-7-4-8-19-10/h1-8H	C13H8N4OS	268.294	5	0	84.46	4	2	0	0.4497	4.42517	2.23	4.571	12.3106	76.688	1.7833	190.573046018295
Cond-011841	NSC166634	166634	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9543410772847	n1c2n(nc(c2ncc1C(Cl)(Cl)Cl)N)C	InChI=1S/C7H6Cl3N5/c1-15-6-4(5(11)14-15)12-2-3(13-6)7(8,9)10/h2H,1H3,(H2,11,14)	C7H6Cl3N5	266.515	5	2	69.62	2	1	0	1.0538	2.64667	1.35	1.087	33.7558	62.2984	1.5719	173.1866032292
Cond-011842	NSC166637	166637	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	12.4208528886733	Clc1nc2n(c(nc2nc1Cl)C(F)(F)F)CCCN1CCOCC1	InChI=1S/C13H14Cl2F3N5O/c14-8-9(15)20-11-10(19-8)21-12(13(16,17)18)23(11)3-1-2-22-4-6-24-7-5-22/h1-7H2	C13H14Cl2F3N5O	384.184	6	0	56.07	3	5	0	1.8194	3.34348	1.68	2.447	57.2389	83.525	2.2981	276.387887764648
Cond-011843	NSC166637	166637	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1nc2n(c(nc2nc1Cl)C(F)(F)F)CCCN1CCOCC1	InChI=1S/C13H14Cl2F3N5O/c14-8-9(15)20-11-10(19-8)21-12(13(16,17)18)23(11)3-1-2-22-4-6-24-7-5-22/h1-7H2	C13H14Cl2F3N5O	384.184	6	0	56.07	3	5	0	1.8194	3.34348	1.68	2.447	57.2389	83.525	2.2981	276.387887764648
Cond-011844	NSC166846	166846	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	104.18107277474	n1c(ccn(c1=O)CC(=O)N(CC)CC)NC(=O)C	InChI=1S/C12H18N4O3/c1-4-15(5-2)11(18)8-16-7-6-10(13-9(3)17)14-12(16)19/h6-7H,4-5,8H2,1-3H3,(H,13,14,17,19)	C12H18N4O3	266.296	7	1	82.08	1	7	0	-1.6439	-0.23943	2.01	-0.578	67.7768	73.8207	2.0511	260.92724294075
Cond-011845	NSC166900	166900	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2010765276563	[nH]1nc(c(=O)cc1CO)CO	InChI=1S/C6H8N2O3/c9-2-4-1-6(11)5(3-10)8-7-4/h1,9-10H,2-3H2,(H,7,11)	C6H8N2O3	156.139	5	3	81.92	1	2	0	-1.9863	-1.55903	1.57	-0.393	39.2237	41.6203	1.0921	140.430732170817
Cond-011846	NSC16722	16722	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.3083142203537	c1c(c(ccc1C(=O)C(=O)c1cc(c(cc1)O)OC)O)OC	InChI=1S/C16H14O6/c1-21-13-7-9(3-5-11(13)17)15(19)16(20)10-4-6-12(18)14(8-10)22-2/h3-8,17-18H,1-2H3	C16H14O6	302.279	6	2	93.06	2	5	0	-1.5518	2.14899	2.56	1.248	30.4528	81.0001	2.154	270.428985910034
Cond-011847	NSC16736	16736	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.781793728114	c1(c(c(cc(c1)C(=O)C(=O)c1cc(c(c(c1)OC)O)OC)OC)O)OC	InChI=1S/C18H18O8/c1-23-11-5-9(6-12(24-2)17(11)21)15(19)16(20)10-7-13(25-3)18(22)14(8-10)26-4/h5-8,21-22H,1-4H3	C18H18O8	362.331	8	2	111.52	2	7	0	-1.6554	2.16619	2.56	0.36	45.0844	94.1041000000001	2.5532	322.60140856289
Cond-011848	NSC168027	168027	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.1483254053571	O(C(C)(C)C)C(=O)C1(C2C1C(=O)C1C2C1(C(=O)OC)C(=O)OC)C(=O)OC(C)(C)C	InChI=1S/C21H28O9/c1-18(2,3)29-16(25)21(17(26)30-19(4,5)6)10-9-11(13(22)12(10)21)20(9,14(23)27-7)15(24)28-8/h9-12H,1-8H3	C21H28O9	424.442	9	0	122.27	3	10	0	0.352799999999998	1.29719	2.78	1.281	100.9508	102.798	3.055	400.632506542652
Cond-011849	NSC16813	16813	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	31.4118918123662	C1(CCCc2c1cc(c(c2)C)C(=O)C)(C)C	InChI=1S/C15H20O/c1-10-8-12-6-5-7-15(3,4)14(12)9-13(10)11(2)16/h8-9H,5-7H2,1-4H3	C15H20O	216.319	1	0	17.07	2	1	1	1.1391	3.55422	3	5.812	42.5396	69.338	1.8916	230.627702584561
Cond-011850	NSC168184	168184	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7861758361342	*.N1=C(N(c2cccc(c2)CN)C(N=C1N)(C)C)N.C(C)S(=O)(=O)O		C14H24N6O3S	356.444	6	6	106.02	2	2	0	-1.6896	0.41608	2.12	1.191	42.7317	74.6192	1.966	233.2936245546
Cond-011851	NSC168221	168221	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	44.4002338542406	N1(c2ccncc2Sc2c1cccc2)CCOC(=O)C	InChI=1S/C15H14N2O2S/c1-11(18)19-9-8-17-12-4-2-3-5-14(12)20-15-10-16-7-6-13(15)17/h2-7,10H,8-9H2,1H3	C15H14N2O2S	286.349	4	0	67.73	3	4	0	0.5458	3.44147	2.56	2.785	31.832	77.76	2.0758	248.754638955856
Cond-011852	NSC168225	168225	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	107.762051852269	n1n([nH]/c(=N/N=C/c2ccccc2)/n1)Cc1ccccc1	InChI=1S/C15H14N6/c1-3-7-13(8-4-1)11-16-17-15-18-20-21(19-15)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,17,19)/b16-11+	C15H14N6	278.312	6	1	64.71	3	4	1	-0.5826	2.21998	2.45	6.624	30.6771	82.3217	2.1081	251.379284928201
Cond-011853	NSC16873	16873	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.79357646322	O1C(=O)/C(=C/c2ccc(cc2)O)/CC1	InChI=1S/C11H10O3/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7,12H,5-6H2/b9-7+	C11H10O3	190.195	3	1	46.53	2	1	0	-0.0120000000000002	1.77368	2.34	2.008	27.1188	53.8408	1.4024	176.387758781417
Cond-011854	NSC169409	169409	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4663391223171	O(C(=O)c1cc(c(c(c1)OC)OC)OC)C(C)CN1CCOCC1	InChI=1S/C17H25NO6/c1-12(11-18-5-7-23-8-6-18)24-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3	C17H25NO6	339.383	7	0	66.46	2	8	0	-0.328499999999998	1.55829	2.56	0.935	65.6138	91.2560000000001	2.5667	320.167565547268
Cond-011855	NSC169458	169458	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.931504094292	S=C1NCC(O1)COC(C#C)C	InChI=1S/C8H11NO2S/c1-3-6(2)10-5-7-4-9-8(12)11-7/h1,6-7H,4-5H2,2H3,(H,9,12)	C8H11NO2S	185.243	3	1	62.58	1	3	0	1.3996	0.37759	1.9	0.825	48.2859	49.0757	1.3789	173.744738571422
Cond-011856	NSC169566	169566	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.802140877607	n1cc2n(c(=S)[nH]c2)cc1	InChI=1S/C6H5N3S/c10-6-8-4-5-3-7-1-2-9(5)6/h1-4H,(H,8,10)	C6H5N3S	151.189	3	1	59.72	2	0	0	-1.3921	0.32357	1.68	0.809	43.206	43.5627	1.0277	128.5729189333
Cond-011857	NSC170001	170001	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.525646874467	O=c1c2C(=O)OC(=O)Cc2cccc1O	InChI=1S/C10H6O5/c11-6-3-1-2-5-4-7(12)15-10(14)8(5)9(6)13/h1-3H,4H2,(H,11,13)	C10H6O5	206.152	5	1	80.67	2	0	0	0.00549999999999974	0.34976	2.01	0.175	51.2495	50.0338	1.3359	184.935768855872
Cond-011858	NSC17055	17055	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.581266538994	o1c2cc(ccc2cc(c1=O)c1ccccc1)OC(=O)C	InChI=1S/C17H12O4/c1-11(18)20-14-8-7-13-9-15(12-5-3-2-4-6-12)17(19)21-16(13)10-14/h2-10H,1H3	C17H12O4	280.275	4	0	52.6	3	3	1	0.0998999999999997	3.51457	2.89	5.621	27.1063	81.149	2.0259	255.151599733178
Cond-011859	NSC170578	170578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	95.7872935080686	O=s1c2cc(ccc2c2c1cccc2)N(=O)=O	InChI=1S/C12H7NO3S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)17(16)12(10)7-8/h1-7H	C12H7NO3S	245.254	4	0	79.42	3	1	0	0.1389	3.50998	2.23	2.252	13.0552	62.8605	1.612	194.66015157065
Cond-011860	NSC170621	170621	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.63417719539	O=n1c2c(cccc2ccc1)C(=O)CN	InChI=1S/C11H10N2O2/c12-7-10(14)9-5-1-3-8-4-2-6-13(15)11(8)9/h1-6H,7,12H2	C11H10N2O2	202.209	4	2	68.55	2	2	0	-1.2388	1.37809	2.23	0.878	15.573	61.5164	1.5003	176.054593796389
Cond-011861	NSC170637	170637	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.48065696907	O=n1cc(c(/N=N/c2cc(c(cc2)NC)C)cc1)C	InChI=1S/C14H16N4O/c1-10-8-12(4-5-13(10)15-3)16-17-14-6-7-18(19)9-11(14)2/h4-9,15H,1-3H3	C14H16N4O	256.303	5	1	62.21	2	3	0	0.9426	4.13313	2.45	3.004	21.4438	77.4537	2.0209	238.509382688962
Cond-011862	NSC170955	170955	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.4691819767001	N1(CCC(=C2c3ccccc3C(c3c2cccc3)O)CC1)C	InChI=1S/C20H21NO/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19/h2-9,20,22H,10-13H2,1H3	C20H21NO	291.387	2	1	23.47	4	0	0	0.215799999999999	3.06869	3.44	4.67	40.7636	86.9318000000001	2.3497	284.582092418062
Cond-011863	NSC17128	17128	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.14229167843	O=C1CC[C@@]2([C@@]3(F)[C@H](C[C@@]4([C@H](CC[C@H]4[C@@H]3CCC2=C1)C(=O)C)C)O)C	InChI=1S/C21H29FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+/m1/s1	C21H29FO3	348.452	3	1	54.37	4	1	0	0.379999999999999	3.94648	3.33	2.35	93.0211	95.5928000000001	2.6979	346.875163890392
Cond-011864	NSC17129	17129	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.516113442518	c1c(ccc(c1)S(=O)(=O)N)C(=O)NCCC	InChI=1S/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)	C10H14N2O3S	242.295	5	3	97.64	1	5	0	-1.7964	0.39419	1.9	0.688	32.1056	58.0481	1.7762	214.587236031084
Cond-011865	NSC17148	17148	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.377506341318	Clc1cc(cc(c1N)S(=O)(=O)N)S(=O)(=O)N	InChI=1S/C6H8ClN3O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)	C6H8ClN3O4S2	285.728	7	6	163.1	1	2	0	-1.8786	-0.31711	1.02	-1.112	32.1209	48.8942	1.7	201.546834965178
Cond-011866	NSC172255	172255	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	313.056787885327	Clc1cc(ccc1Cl)C1(C2CCC(C1NC(C)C)CC2)O.CS(=O)(=O)O	InChI=1S/C17H23Cl2NO.CH4O3S/c1-10(2)20-16-11-3-5-12(6-4-11)17(16,21)13-7-8-14(18)15(19)9-13;1-5(2,3)4/h7-12,16,20-21H,3-6H2,1-2H3;1H3,(H,2,3,4)	C18H27Cl2NO4S	424.382	2	2	32.26	1	3	0	0.734999999999999	4.0265	2.89	4.438	61.4048	87.0885	2.4524	296.918567585329
Cond-011867	NSC173101	173101	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.234999280408	n1c2CCCCc2[nH]c(=O)c1C(=O)N	InChI=1S/C9H11N3O2/c10-8(13)7-9(14)12-6-4-2-1-3-5(6)11-7/h1-4H2,(H2,10,13)(H,12,14)	C9H11N3O2	193.203	5	3	84.55	2	1	0	-1.8658	-0.0118200000000001	1.9	-0.355	45.1869	53.2391	1.4043	179.532302154422
Cond-011868	NSC173103	173103	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.118918988734	n1c(=S)n2ncc(c2[nH]c1)C(=O)O	InChI=1S/C6H4N4O2S/c11-5(12)3-1-9-10-4(3)7-2-8-6(10)13/h1-2H,(H,11,12)(H,7,8,13)	C6H4N4O2S	196.187	6	2	109.38	2	1	0	-0.4015	-0.44183	1.35	0.403	47.1941	53.0065	1.2019	154.513673841789
Cond-011869	NSC17339	17339	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.880592826378	n1(c(cc(=C2C=CC(=O)C=C2)cc1C)C)C	InChI=1S/C14H15NO/c1-10-8-13(9-11(2)15(10)3)12-4-6-14(16)7-5-12/h4-9H,1-3H3	C14H15NO	213.275	2	0	20.31	2	0	0	1.5715	2.59594	2.78	1.99	73.0637	67.483	1.7645	229.955560765261
Cond-011870	NSC17355	17355	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	90.3844873561289	n1c(c(c(c2ccc(cc2)OC)c(c1C)C(=O)OCC)C(=O)OCC)C	InChI=1S/C20H23NO5/c1-6-25-19(22)16-12(3)21-13(4)17(20(23)26-7-2)18(16)14-8-10-15(24-5)11-9-14/h8-11H,6-7H2,1-5H3	C20H23NO5	357.4	6	0	74.72	2	8	0	1.3504	3.64333	3	4.087	51.3452	100.6305	2.7587	341.819457921107
Cond-011871	NSC17362	17362	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	13.499286165249	O=C1OC(C(C1=O)c1ccccc1)Cc1ccccc1	InChI=1S/C17H14O3/c18-16-15(13-9-5-2-6-10-13)14(20-17(16)19)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2	C17H14O3	266.291	3	0	43.37	3	3	1	-0.4876	2.74129	3	6.44	23.5226	77.459	2.0102	248.997831733417
Cond-011872	NSC17362	17362	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C1OC(C(C1=O)c1ccccc1)Cc1ccccc1	InChI=1S/C17H14O3/c18-16-15(13-9-5-2-6-10-13)14(20-17(16)19)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2	C17H14O3	266.291	3	0	43.37	3	3	1	-0.4876	2.74129	3	6.44	23.5226	77.459	2.0102	248.997831733417
Cond-011873	NSC173969	173969	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.306998688198	n1c2[nH]cc(c2ccc1)C=O	InChI=1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)	C8H6N2O	146.146	3	1	45.75	2	1	0	-0.6128	1.26708	2.01	1.423	9.5939	45.976	1.0619	118.012871919028
Cond-011874	NSC174027	174027	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.071825949731	O=c1oc(cc(c1)OC)CC(=O)C(=O)O	InChI=1S/C9H8O6/c1-14-5-2-6(15-8(11)4-5)3-7(10)9(12)13/h2,4H,3H2,1H3,(H,12,13)	C9H8O6	212.156	6	1	89.9	1	4	0	-0.6764	0.0874699999999999	1.79	-0.251	49.9395	49.2298	1.4053	191.422928332167
Cond-011875	NSC174084	174084	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.365271381723	Brc1c2c(nccc2)c(cc1OC)NC(=O)C	InChI=1S/C12H11BrN2O2/c1-7(16)15-9-6-10(17-2)11(13)8-4-3-5-14-12(8)9/h3-6H,1-2H3,(H,15,16)	C12H11BrN2O2	295.132	4	1	51.22	2	3	0	0.2121	3.79828	2.23	2.053	28.7808	73.7847	1.8162	212.634197399823
Cond-011876	NSC17507	17507	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.146297562922	n1(c(c(c(c1C)C(=O)OCC)C)C(=O)OCC)C	InChI=1S/C13H19NO4/c1-6-17-12(15)10-8(3)11(13(16)18-7-2)14(5)9(10)4/h6-7H2,1-5H3	C13H19NO4	253.294	5	0	57.53	1	6	0	1.7202	1.86283	2.34	2.02	52.3937	68.9345	1.9943	245.759632343478
Cond-011877	NSC1751	1751	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.506434729269	O1C(C(C(OC1)C(O)CO)O)C(O)CO	InChI=1S/C8H16O7/c9-1-4(11)7-6(13)8(5(12)2-10)15-3-14-7/h4-13H,1-3H2	C8H16O7	224.208	7	5	119.61	1	4	0	-2.833	-3.2048	1.57	-2.745	46.709	46.805	1.5381	196.099463910861
Cond-011878	NSC175412	175412	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.147988407908	n1c(n2ncc(c2nc1)C(=O)OCC)SC	InChI=1S/C9H10N4O2S/c1-3-15-8(14)6-4-12-13-7(6)10-5-11-9(13)16-2/h4-5H,3H2,1-2H3	C9H10N4O2S	238.266	6	0	94.68	2	4	0	0.9677	1.39648	1.68	1.003	32.6704	62.582	1.6246	184.601627719389
Cond-011879	NSC175415	175415	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.7146820425011	n1c(c(nc2nc([nH]c12)C(F)(F)F)C)C	InChI=1S/C8H7F3N4/c1-3-4(2)13-6-5(12-3)14-7(15-6)8(9,10)11/h1-2H3,(H,12,13,14,15)	C8H7F3N4	216.163	4	1	54.46	2	1	0	1.5567	2.38963	1.57	2.429	21.1996	48.582	1.2989	152.055300886519
Cond-011880	NSC175743	175743	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.4965135695721	c1cc(ccc1NC(=N)C(=N)Nc1ccc(cc1)N)N	InChI=1S/C14H16N6/c15-9-1-5-11(6-2-9)19-13(17)14(18)20-12-7-3-10(16)4-8-12/h1-8H,15-16H2,(H2,17,19)(H2,18,20)	C14H16N6	268.317	6	8	123.8	2	5	1	-2.453	3.52714	2.34	2.832	25.8414	86.3796	2.1188	249.076217703934
Cond-011881	NSC176324	176324	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.561437083961	ClC1=NO[C@H]([C@H](N)C(=O)O)[C@H]1O	InChI=1S/C5H7ClN2O4/c6-4-2(9)3(12-8-4)1(7)5(10)11/h1-3,9H,7H2,(H,10,11)/t1-,2+,3+/m0/s1	C5H7ClN2O4	194.573	6	4	105.14	1	2	0	-1.4484	-0.90612	1.24	-2.716	38.0035	45.18	1.1753	149.772500716745
Cond-011882	NSC176367	176367	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	82.6071326515339	n1c(cccc1)NC(=S)NC(=O)c1ccccc1	InChI=1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)	C13H11N3OS	257.311	4	2	86.11	2	5	0	0.1479	2.77688	2.34	4.344	22.875	77.6304	1.9007	226.089203211728
Cond-011883	NSC176736	176736	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.07265475546	Clc1cc(ccc1Cl)NC(=O)c1cc(Cl)c(Cl)cc1	InChI=1S/C13H7Cl4NO/c14-9-3-1-7(5-11(9)16)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)	C13H7Cl4NO	335.013	2	1	29.1	2	3	0	2.3424	6.12098	2.23	4.539	29.9039	84.1417	2.0702	249.067388520328
Cond-011884	NSC176765	176765	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.6294376381695	Clc1cc(/N=C/N(C)C)ccc1Cl	InChI=1S/C9H10Cl2N2/c1-13(2)6-12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3	C9H10Cl2N2	217.095	2	0	15.6	1	2	0	1.1477	3.11249	2.01	3.2	32.6756	59.116	1.5405	182.8336827868
Cond-011885	NSC177365	177365	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	13.6148379695703	*.n1c2c(c(c3ccccc13)Nc1ccc(cc1)NS(=O)(=O)CCCNC(=N)N)ccc(c2)N(=O)=O.Cl	InChI=1S/C23H23N7O4S.ClH/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22;/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26);1H	C23H24ClN7O4S	529.999	11	6	184.51	4	10	0	-1.4311	6.16164	2.67	4.878	41.8673	141.8822	3.4958	412.348018199947
Cond-011886	NSC177365	177365	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	*.n1c2c(c(c3ccccc13)Nc1ccc(cc1)NS(=O)(=O)CCCNC(=N)N)ccc(c2)N(=O)=O.Cl	InChI=1S/C23H23N7O4S.ClH/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22;/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26);1H	C23H24ClN7O4S	529.999	11	6	184.51	4	10	0	-1.4311	6.16164	2.67	4.878	41.8673	141.8822	3.4958	412.348018199947
Cond-011887	NSC177407	177407	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	46.3346110921149	Clc1nc2[nH]c(nc2nc1Cl)c1cccc(c1)C(F)(F)F	InChI=1S/C12H5Cl2F3N4/c13-7-8(14)19-11-10(18-7)20-9(21-11)5-2-1-3-6(4-5)12(15,16)17/h1-4H,(H,18,19,20,21)	C12H5Cl2F3N4	333.096	4	1	54.46	3	2	0	1.7451	3.97609	1.79	4.572	21.939	73.721	1.8697	220.495540127653
Cond-011888	NSC177862	177862	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.447425656596	O=C1C(CC2=C(C(CC(=O)O2)c2c3ccccc3n(c2)C(=O)C)C1)(C)C	InChI=1S/C21H21NO4/c1-12(23)22-11-16(13-6-4-5-7-17(13)22)14-9-20(25)26-18-10-21(2,3)19(24)8-15(14)18/h4-7,11,14H,8-10H2,1-3H3	C21H21NO4	351.396	5	0	65.37	4	2	0	0.0196999999999979	4.54037000000001	3.22	1.781	64.1872	100.7505	2.6237	325.612298444813
Cond-011889	NSC177866	177866	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	29.7302595979655	O=C1C(=Cc2cccc3c2c1ccc3)Br	InChI=1S/C13H7BrO/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7H	C13H7BrO	259.098	1	0	17.07	3	0	1	0.6567	3.55758	2.67	5.268	23.1988	67.142	1.5472	184.153517507195
Cond-011890	NSC177952	177952	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.424862631787	[nH]1nc(nc1)NC(=O)C(=O)O	InChI=1S/C4H4N4O3/c9-2(3(10)11)7-4-5-1-6-8-4/h1H,(H,10,11)(H2,5,6,7,8,9)	C4H4N4O3	156.1	7	3	107.97	1	3	0	-1.295	-0.82012	1.13	-0.712	17.9608	36.5665	0.9669	114.295824634617
Cond-011891	NSC17796	17796	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	75.2369571552443	c1(cnnc2c1cccc2)S	InChI=1S/C8H6N2S/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)	C8H6N2S	162.212	2	0	64.58	2	0	0	0.511	2.32369	2.01	2.565	8.6916	47.831	1.1667	127.731669276067
Cond-011892	NSC177989	177989	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.232435535424	O=C(/C=C/c1ccc([nH]1)C(=O)OCC)OCC	InChI=1S/C12H15NO4/c1-3-16-11(14)8-6-9-5-7-10(13-9)12(15)17-4-2/h5-8,13H,3-4H2,1-2H3/b8-6+	C12H15NO4	237.252	5	1	68.39	1	7	0	0.463900000000001	1.33698	2.23	2.165	46.1079	65.0295	1.8104	225.827189016811
Cond-011893	NSC178873	178873	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.466831770741	O1C(=O)/C(=C/OCCCO/C=C\2/C(=O)OCC2)/CC1	InChI=1S/C13H16O6/c14-12-10(2-6-18-12)8-16-4-1-5-17-9-11-3-7-19-13(11)15/h8-9H,1-7H2/b10-8+,11-9+	C13H16O6	268.263	6	0	71.06	2	6	0	-0.7184	1.15757	2.23	0.784	63.166	66.542	1.9033	250.886866835634
Cond-011894	NSC179818	179818	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9210720650505	c1ccc2c(c1)cc1c(n2)ccc(c1)Cl	InChI=1S/C13H8ClN/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-8H	C13H8ClN	213.662	1	0	12.89	3	0	0	0.7443	4.44659	2.67	4.541	5.6156	65.3	1.5357	171.387499807667
Cond-011895	NSC179822	179822	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7782214247808	o1c2cc(oc(=O)c2c2c1cc(c(c2)OC)OC)C	InChI=1S/C14H12O5/c1-7-4-12-13(14(15)18-7)8-5-10(16-2)11(17-3)6-9(8)19-12/h4-6H,1-3H3	C14H12O5	260.242	5	0	57.9	3	2	0	0.111699999999999	2.69297	2.45	1.812	37.9212	72.507	1.7909	219.963248658539
Cond-011896	NSC180964	180964	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.8662812510327	c1(ccc(c2c1CC(=C(C2)C)C)OC(=O)C)OC(=O)C	InChI=1S/C16H18O4/c1-9-7-13-14(8-10(9)2)16(20-12(4)18)6-5-15(13)19-11(3)17/h5-6H,7-8H2,1-4H3	C16H18O4	274.312	4	0	52.6	2	4	0	2.1106	4.13386	2.78	2.98	51.5168	81.9370000000001	2.1226	269.021449910511
Cond-011897	NSC182400	182400	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.24665126684	Clc1nc2[nH]c(nc2nc1Cl)C(=O)O	InChI=1S/C6H2Cl2N4O2/c7-1-2(8)10-4-3(9-1)11-5(12-4)6(13)14/h(H,13,14)(H,9,10,11,12)	C6H2Cl2N4O2	233.012	6	2	91.76	2	1	0	0.4072	1.24958	1.24	0.2	22.7237	53.1578	1.2832	144.626785325056
Cond-011898	NSC18415	18415	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	44.3978839667312	c1cccc(c1N/C(=C\C(=O)C)/C)O	InChI=1S/C11H13NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h3-7,12,14H,1-2H3/b8-7-	C11H13NO2	191.226	3	2	49.33	1	3	0	-0.7808	3.05707	2.34	2.652	31.9387	59.3835	1.5521	190.950750989822
Cond-011899	NSC1847	1847	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.115762491473	N(=N\c1ccccc1)/c1ccc(cc1)S(=O)(=O)O	InChI=1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)	C12H10N2O3S	262.284	5	1	87.47	2	3	0	-0.5415	3.76028	2.12	4.108	10.9194	63.3858	1.8204	218.013370479617
Cond-011900	NSC18473	18473	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.646215303299	n1c(c(ccc1)O)CO	InChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,8-9H,4H2	C6H7NO2	125.125	3	2	53.35	1	1	0	-0.909	0.3653	1.79	0.231	9.8414	33.7538	0.933600000000001	109.743745262089
Cond-011901	NSC186067	186067	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.2064346750179	N1(CC(C=C2c3cccc4[nH]cc(c34)CC12)C(=O)NC(CO)CC)C	InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)	C20H25N3O2	339.431	5	3	68.36	4	5	0	-1.5244	1.49398	3.11	1.23	64.5168	101.8085	2.651	318.002298235758
Cond-011902	NSC186194	186194	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	90.8341904574012	n1(c(cnc1/C=N(/O)\C1CCCCC1)N(=O)=O)CCOC(=O)C	InChI=1S/C14H20N4O5/c1-11(19)23-8-7-16-13(15-9-14(16)18(21)22)10-17(20)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3	C14H20N4O5	324.332	9	0	116.01	2	7	0	-1.1796	2.78768	2.01	1.097	52.0849	88.567	2.3417	289.843206892806
Cond-011903	NSC186200	186200	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	15.5322539565947	C(=N\O)(/c1ccccc1)\CC(c1ccccc1)C(c1ccccc1)C#N	InChI=1S/C23H20N2O/c24-17-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-23(25-26)20-14-8-3-9-15-20/h1-15,21-22,26H,16H2	C23H20N2O	340.418	3	1	56.38	3	6	1	-0.331400000000001	5.41239	3.66	9.628	26.8232	104.8795	2.7658	335.74097170063
Cond-011904	NSC186200	186200	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	C(=N\O)(/c1ccccc1)\CC(c1ccccc1)C(c1ccccc1)C#N	InChI=1S/C23H20N2O/c24-17-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-23(25-26)20-14-8-3-9-15-20/h1-15,21-22,26H,16H2	C23H20N2O	340.418	3	1	56.38	3	6	1	-0.331400000000001	5.41239	3.66	9.628	26.8232	104.8795	2.7658	335.74097170063
Cond-011905	NSC187675	187675	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9492890904575	O=[As](c1c(ccc(c1)N(=O)=O)c1ccccc1)(O)O	InChI=1S/C12H10AsNO5/c15-13(16,17)12-8-10(14(18)19)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)	C12H10AsNO5	323.133	6	2	100.67	2	3	1	0.4042	1.29209	2.01	5.051	9.8885	72.9111	1.9246	228.008117293339
Cond-011906	NSC18883	18883	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.47430817972834	N1(c2c3ccccc3ccc2Sc2c1cccc2)CCN(CC)CC	InChI=1S/C22H24N2S/c1-3-23(4-2)15-16-24-19-11-7-8-12-20(19)25-21-14-13-17-9-5-6-10-18(17)22(21)24/h5-14H,3-4,15-16H2,1-2H3	C22H24N2S	348.504	2	0	31.78	4	5	1	1.3456	6.31139000000001	3.55	6.514	42.9949	109.731	2.7931	326.353160534202
Cond-011907	NSC18883	18883	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(c2c3ccccc3ccc2Sc2c1cccc2)CCN(CC)CC	InChI=1S/C22H24N2S/c1-3-23(4-2)15-16-24-19-11-7-8-12-20(19)25-21-14-13-17-9-5-6-10-18(17)22(21)24/h5-14H,3-4,15-16H2,1-2H3	C22H24N2S	348.504	2	0	31.78	4	5	1	1.3456	6.31139000000001	3.55	6.514	42.9949	109.731	2.7931	326.353160534202
Cond-011908	NSC190336	190336	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.9731630908	Brc1cc(ccc1)NCC(=O)NN	InChI=1S/C8H10BrN3O/c9-6-2-1-3-7(4-6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)	C8H10BrN3O	244.088	4	4	67.15	1	4	0	-0.9637	1.68488	1.79	0.764	29.1867	58.4478	1.4883	174.186168506361
Cond-011909	NSC190501	190501	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.22469814209	Clc1c(cccc1)NC(=O)Nc1ccc(Br)cc1	InChI=1S/C13H10BrClN2O/c14-9-5-7-10(8-6-9)16-13(18)17-12-4-2-1-3-11(12)15/h1-8H,(H2,16,17,18)	C13H10BrClN2O	325.588	3	2	41.13	2	4	0	1.0054	5.54467	2.34	4.544	24.1573	81.5754	1.9778	233.714564394762
Cond-011910	NSC19061	19061	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	60.5518307875658	Clc1c(cccc1)Nc1nc(c2c(n1)n(nc2)C)Nc1c(Cl)cccc1	InChI=1S/C18H14Cl2N6/c1-26-17-11(10-21-26)16(22-14-8-4-2-6-12(14)19)24-18(25-17)23-15-9-5-3-7-13(15)20/h2-10H,1H3,(H2,22,23,24,25)	C18H14Cl2N6	385.25	6	2	67.66	4	4	0	0.7633	7.57305	2.56	4.358	26.4259	109.3824	2.624	296.896456945068
Cond-011911	NSC19063	19063	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.8387188752174	n1c(=S)c2[nH]c(=S)[nH]c2[nH]c1SC	InChI=1S/C6H6N4S3/c1-13-6-9-3-2(4(11)10-6)7-5(12)8-3/h1H3,(H3,7,8,9,10,11,12)	C6H6N4S3	230.334	4	3	137.93	2	1	0	1.1658	0.10668	1.35	1.773	60.5429	63.1241	1.4545	176.587727256667
Cond-011912	NSC19096	19096	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7322645654925	n1c(c2c(nc1OCC)n(nc2)C)OCC	InChI=1S/C10H14N4O2/c1-4-15-9-7-6-11-14(3)8(7)12-10(13-9)16-5-2/h6H,4-5H2,1-3H3	C10H14N4O2	222.244	6	0	62.06	2	4	0	0.512700000000001	2.37627	1.9	0.74	31.8139	61.765	1.645	186.025046988456
Cond-011913	NSC191029	191029	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.63162808548	N1(CCCC(C1)C)C(=O)CCCC	InChI=1S/C11H21NO/c1-3-4-7-11(13)12-8-5-6-10(2)9-12/h10H,3-9H2,1-2H3	C11H21NO	183.291	2	0	20.31	1	4	0	-1.0005	2.66899	2.45	2.404	49.0357	57.746	1.6654	203.606359092461
Cond-011914	NSC19108	19108	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.3452801929806	O=c1[nH]c(=S)c2ncn(c2[nH]1)c1ccccc1	InChI=1S/C11H8N4OS/c16-11-13-9-8(10(17)14-11)12-6-15(9)7-4-2-1-3-5-7/h1-6H,(H2,13,14,16,17)	C11H8N4OS	244.272	5	2	90.52	3	1	0	0.1611	2.31037	2.01	1.885	25.773	71.9984	1.6531	192.773994168161
Cond-011915	NSC19115	19115	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	14.0221281071717	n1c(c2c(nc1)n(nc2)C1CCCCC1)N	InChI=1S/C11H15N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)	C11H15N5	217.27	5	2	69.62	3	1	0	-2.2271	3.12927	2.12	1.085	25.076	64.9804	1.6597	184.380879720567
Cond-011916	NSC19123	19123	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.051321175447	Clc1nc(c2c(n1)n(nc2)C)Nc1ccc(cc1)N(=O)=O	InChI=1S/C12H9ClN6O2/c1-18-11-9(6-14-18)10(16-12(13)17-11)15-7-2-4-8(5-3-7)19(20)21/h2-6H,1H3,(H,15,16,17)	C12H9ClN6O2	304.692	8	1	98.77	3	3	0	0.6548	4.49986	1.79	2.382	21.7768	83.0007	1.9682	224.019310922956
Cond-011917	NSC19125	19125	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.911980015461	Clc1nc(c2c(n1)n(nc2)C)Nc1ccc(cc1)O	InChI=1S/C12H10ClN5O/c1-18-11-9(6-14-18)10(16-12(13)17-11)15-7-2-4-8(19)5-3-7/h2-6,19H,1H3,(H,15,16,17)	C12H10ClN5O	275.694	6	2	75.86	3	2	0	-0.4656	4.24696	2.01	1.532	20.4514	77.4477	1.8527	206.868782715028
Cond-011918	NSC19136	19136	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.41852896602357	c1(nc(c2c(n1)[nH]nc2)NCCc1ccccc1)Cl	InChI=1S/C13H12ClN5/c14-13-17-11(10-8-16-19-12(10)18-13)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17,18,19)	C13H12ClN5	273.721	5	2	66.49	3	4	0	-0.274	2.58419	2.23	4.275	21.7561	76.8027	1.9349	215.374540640334
Cond-011919	NSC19136	19136	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(nc(c2c(n1)[nH]nc2)NCCc1ccccc1)Cl	InChI=1S/C13H12ClN5/c14-13-17-11(10-8-16-19-12(10)18-13)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17,18,19)	C13H12ClN5	273.721	5	2	66.49	3	4	0	-0.274	2.58419	2.23	4.275	21.7561	76.8027	1.9349	215.374540640334
Cond-011920	NSC19141	19141	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5279480525054	Clc1nc(c2n(cnc2n1)C)Nc1c(cc(cc1)C)C	InChI=1S/C14H14ClN5/c1-8-4-5-10(9(2)6-8)17-13-11-12(16-7-20(11)3)18-14(15)19-13/h4-7H,1-3H3,(H,17,18,19)	C14H14ClN5	287.747	5	1	55.63	3	2	0	1.2787	4.68671	2.34	3.459	28.891	81.9507	2.0758	232.670525266201
Cond-011921	NSC191441	191441	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	53.0100187067398	c1c(c(ccc1)C)NC(=O)Oc1cc(ccc1)OC(=O)c1ccccc1	InChI=1S/C21H17NO4/c1-15-8-5-6-13-19(15)22-21(24)26-18-12-7-11-17(14-18)25-20(23)16-9-3-2-4-10-16/h2-14H,1H3,(H,22,24)	C21H17NO4	347.364	5	1	64.63	3	7	1	0.4669	5.2983	3.22	7.391	20.5866	102.9952	2.6033	319.159381043213
Cond-011922	NSC191454	191454	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.561633482882	O(c1cc(ccc1)OC(=O)Nc1ccccc1OC)C(=O)c1ccccc1	InChI=1S/C21H17NO5/c1-25-19-13-6-5-12-18(19)22-21(24)27-17-11-7-10-16(14-17)26-20(23)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,24)	C21H17NO5	363.363	6	1	73.86	3	8	1	-0.2269	5.22417	3.11	6.624	22.4003	105.6412	2.662	327.949607743774
Cond-011923	NSC19219	19219	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.7705273715632	n1ccncc1/C=C/c1ccc(cc1)O	InChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H	C12H10N2O	198.221	3	1	46.01	2	2	0	0.00749999999999995	2.43158	2.45	2.536	12.8832	59.632	1.5395	181.923893020895
Cond-011924	NSC193043	193043	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.164172339281	ClC1=Nn2c(cc3cc(nnc23)C)CC1	InChI=1S/C10H9ClN4/c1-6-4-7-5-8-2-3-9(11)14-15(8)10(7)13-12-6/h4-5H,2-3H2,1H3	C10H9ClN4	220.658	4	0	43.07	3	0	0	1.2634	2.97389	2.01	2.874	29.9664	62.379	1.4984	168.662743956167
Cond-011925	NSC193528	193528	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0268689385972	n1(c(nc(c1C(=O)OCC)C(=O)OCC)SC)C	InChI=1S/C11H16N2O4S/c1-5-16-9(14)7-8(10(15)17-6-2)13(3)11(12-7)18-4/h5-6H2,1-4H3	C11H16N2O4S	272.321	6	0	95.72	1	7	0	1.3316	2.27417	1.9	1.655	54.6493	72.0055	1.9758	240.673447357511
Cond-011926	NSC194242	194242	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0680941336669	n1ccnc2c1n(cc2C=O)C	InChI=1S/C8H7N3O/c1-11-4-6(5-12)7-8(11)10-3-2-9-7/h2-5H,1H3	C8H7N3O	161.161	4	0	47.78	2	1	0	-0.0769000000000001	1.15438	1.9	0.222	14.8886	47.959	1.1617	129.009632127195
Cond-011927	NSC194243	194243	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5263707299612	n1ccnc2c1[nH]cc2CN(C)C	InChI=1S/C9H12N4/c1-13(2)6-7-5-12-9-8(7)10-3-4-11-9/h3-5H,6H2,1-2H3,(H,11,12)	C9H12N4	176.218	4	1	44.81	2	2	0	-0.191	1.06319	2.01	-0.126	22.3036	53.304	1.3867	151.148608961467
Cond-011928	NSC194308	194308	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.001773946407	C1(C2CC1CCC2CNC(=N)CSS(=O)(=O)O)(C)C	InChI=1S/C12H22N2O3S2/c1-12(2)9-4-3-8(10(12)5-9)6-14-11(13)7-18-19(15,16)17/h8-10H,3-7H2,1-2H3,(H2,13,14)(H,15,16,17)	C12H22N2O3S2	306.445	5	3	123.93	1	6	0	0.223600000000002	3.24237	2.01	2.659	73.2579	77.8822	2.2419	274.141146742017
Cond-011929	NSC19487	19487	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.561241433214	n1c(=S)c2ncn(c2[nH]c1)C1CCCC1	InChI=1S/C10H12N4S/c15-10-8-9(11-5-12-10)14(6-13-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,15)	C10H12N4S	220.294	4	1	74.3	3	1	0	-1.6053	3.03047	2.01	1.082	40.7257	65.6457	1.5825	185.497158944134
Cond-011930	NSC195031	195031	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.679992951691	CCCCC(=O)N(CCC)CCC	InChI=1S/C11H23NO/c1-4-7-8-11(13)12(9-5-2)10-6-3/h4-10H2,1-3H3	C11H23NO	185.306	2	0	20.31	0	8	0	-1.5749	3.05909	2.45	2.805	50.7576	59.93	1.774	215.962817793261
Cond-011931	NSC195327	195327	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	75.8169735801082	N(=C\c1nccc(c1)c1cccc(c1)N)/NC(=S)N	InChI=1S/C13H13N5S/c14-11-3-1-2-9(6-11)10-4-5-16-12(7-10)8-17-18-13(15)19/h1-8H,14H2,(H3,15,18,19)	C13H13N5S	271.341	5	5	121.41	2	4	0	-0.5127	1.44399	2.23	3.201	29.7066	83.2995	2.0416	239.292496927501
Cond-011932	NSC196148	196148	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.710339653566	N(C)(C)S(=O)(=O)Nc1ccccn1	InChI=1S/C7H11N3O2S/c1-10(2)13(11,12)9-7-5-3-4-6-8-7/h3-6H,1-2H3,(H,8,9)	C7H11N3O2S	201.246	5	1	70.68	1	3	0	-1.2432	0.81379	1.57	0.421	25.035	46.1627	1.4376	167.542274361889
Cond-011933	NSC19637	19637	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.1129307416736	n1ccccc1/C=C/c1cccc(c1)N(=O)=O	InChI=1S/C13H10N2O2/c16-15(17)13-6-3-4-11(10-13)7-8-12-5-1-2-9-14-12/h1-10H	C13H10N2O2	226.231	4	0	56.03	2	3	0	1.1279	3.28948	2.45	4.782	14.2086	67.39	1.6961	205.373645646523
Cond-011934	NSC196515	196515	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	89.2229296830523	[C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C/CCCC(=O)O.NC(CO)(CO)CO	InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12+;/t15-,16+,17+,18-,19+;/m0./s1	C24H45NO8	475.616	5	4	97.99	1	12	1	-2.7724	3.12917000000001	3.11	3.203	88.5843	100.8462	2.9825	378.161449917741
Cond-011935	NSC197008	197008	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9266035669358	O1C(=O)/C(=C/NCCCCCCCCN/C=C\2/C(=O)OCC2)/CC1	InChI=1S/C18H28N2O4/c21-17-15(7-11-23-17)13-19-9-5-3-1-2-4-6-10-20-14-16-8-12-24-18(16)22/h13-14,19-20H,1-12H2	C18H28N2O4	336.426	6	2	76.66	2	11	1	-2.691	2.25407	2.78	3.316	81.0858	93.7284	2.69	341.779856980179
Cond-011936	NSC197046	197046	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	95.7569607113212	O=c1[nH]c(=O)n(cc1)CC(=O)Nc1nccs1	InChI=1S/C9H8N4O3S/c14-6-1-3-13(9(16)12-6)5-7(15)11-8-10-2-4-17-8/h1-4H,5H2,(H,10,11,15)(H,12,14,16)	C9H8N4O3S	252.25	7	2	119.64	2	4	0	-1.1571	0.90727	1.57	-0.802	44.1663	63.3444	1.6403	201.65539571915
Cond-011937	NSC197049	197049	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.3101807862521	c1(=S)c(c(ss1)N)C(=O)OCC	InChI=1S/C6H7NO2S3/c1-2-9-5(8)3-4(7)11-12-6(3)10/h2,7H2,1H3	C6H7NO2S3	221.32	3	2	135.01	1	3	0	1.75	1.60228	1.46	0.895	56.163	58.5994	1.4241	176.170817434889
Cond-011938	NSC19803	19803	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.0292769239689	c1(cc(c2c(c(=O)c3c(cc(cc3O)O)o2)OC2C(C(C(C(O2)C)O)O)O)cc(c1O)O)O	InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3	C21H20O12	464.376	12	8	206.6	4	3	1	-4.8524	0.289070000000003	2.45	-0.185	62.3619	110.5474	2.99350000000001	384.937351841135
Cond-011939	NSC19824	19824	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	26.4586023413132	n1c2c3ccccc3C(C(c2cc2c1cccc2)O)(C)C	InChI=1S/C19H17NO/c1-19(2)15-9-5-4-8-13(15)17-14(18(19)21)11-12-7-3-6-10-16(12)20-17/h3-11,18,21H,1-2H3	C19H17NO	275.344	2	1	33.12	4	0	1	0.4035	4.33889	3.33	5.556	19.5872	86.3118	2.1658	253.749649091395
Cond-011940	NSC19848	19848	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.107448308893	n1c2CCCCc2nc2c1CCCC2	InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2	C12H16N2	188.269	2	0	25.78	3	0	0	-0.1296	3.04458	2.56	2.744	29.4536	57.398	1.5442	182.223042422734
Cond-011941	NSC19962	19962	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	56.3302335382298	C1(=C(c2ccc(cc2)OC)CCC(C1C)C(=O)O)CC	InChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)	C17H22O3	274.355	3	1	46.53	2	4	0	0.3986	4.04068	3	4.078	54.2381	81.9098000000001	2.2478	280.163666536617
Cond-011942	NSC19970	19970	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.946250459252	[nH]1c2c(CCN3[C@@H]2C[C@H]2[C@@H](C3)C[C@H]([C@@H]([C@H]2C(=O)OC)OC)OC(=O)CC(=O)C)c2ccc(cc12)OC	InChI=1S/C27H34N2O7/c1-14(30)9-23(31)36-22-10-15-13-29-8-7-18-17-6-5-16(33-2)11-20(17)28-25(18)21(29)12-19(15)24(26(22)34-3)27(32)35-4/h5-6,11,15,19,21-22,24,26,28H,7-10,12-13H2,1-4H3/t15-,19+,21-,22-,24+,26+/m1/s1	C27H34N2O7	498.568	9	1	107.16	5	8	0	-0.927899999999999	2.62668	3.44	2.048	96.63	134.502	3.6794	457.035646509864
Cond-011943	NSC19990	19990	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.912670781638	O=C1Nc2c(c(c3C4=C(OCOC4=C(C(=O)c3c2O)C)/C(=C/C(C(C(C(C(C(C(C(C(/C=C\C=C\1/C)C)O)C)O)C(=O)OC)O)C)O)(O)C)/C)OC(=O)C)C	InChI=1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+	C40H51NO14	769.831	15	7	238.61	3	4	2	-0.593600000000002	3.91846000000001	4.21	2.31	177.5827	201.709	5.71580000000001	742.492438538687
Cond-011944	NSC20045	20045	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5484036217999	c1c(ccc(c1)C(C)C)C(=O)NC(C)C	InChI=1S/C13H19NO/c1-9(2)11-5-7-12(8-6-11)13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15)	C13H19NO	205.296	2	1	29.1	1	4	0	-0.00970000000000037	2.91659	2.67	4.739	36.9046	66.1547	1.8182	219.388952241795
Cond-011945	NSC200686	200686	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.841162433489	n1ccn(c1C)CCCC	InChI=1S/C8H14N2/c1-3-4-6-10-7-5-9-8(10)2/h5,7H,3-4,6H2,1-2H3	C8H14N2	138.21	2	0	17.82	1	3	0	-0.4486	2.57631	2.12	2.012	25.2308	43.123	1.2408	140.388480021667
Cond-011946	NSC201631	201631	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	111.273774087572	s1c(c(c(c1C(=O)c1cccc(c1)N(=O)=O)N)C#N)Nc1ccc(cc1)C(=O)OCC	InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3	C21H16N4O5S	436.441	9	3	176.59	3	8	0	0.112900000000001	4.24437	2.67	4.041	47.0324	115.8431	3.0389	374.175995024274
Cond-011947	NSC201634	201634	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.8801064493617	c1cc(ccc1NC(=S)Nc1cccc(c1)OC)O	InChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19)	C14H14N2O2S	274.338	4	3	85.61	2	5	0	-0.2407	4.18038	2.45	3.382	27.8139	83.6064	2.0435	243.815113030789
Cond-011948	NSC201659	201659	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9197626588206	O=C1C(/C(=N\c2ccccc2Cl)/SC1)(C(=O)OCC)C#N	InChI=1S/C14H11ClN2O3S/c1-2-20-13(19)14(8-16)11(18)7-21-12(14)17-10-6-4-3-5-9(10)15/h3-6H,2,7H2,1H3	C14H11ClN2O3S	322.767	5	0	104.82	2	4	0	0.830500000000001	2.72288	2.23	2.198	54.617	83.024	2.1816	276.079948800984
Cond-011949	NSC201863	201863	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.7428551471615	Clc1cc(ccc1Cl)C(=O)NC(c1ccc(c2ccccc2)cc1)C	InChI=1S/C21H17Cl2NO/c1-14(24-21(25)18-11-12-19(22)20(23)13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25)	C21H17Cl2NO	370.272	2	1	29.1	3	5	1	0.8547	5.82709	3.33	8.613	27.9693	107.3487	2.715	325.847295183196
Cond-011950	NSC201868	201868	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.735969817609	n1c2ccccc2cc(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C	InChI=1S/C19H18N4O/c1-23(2)17-9-7-14(8-10-17)12-21-22-19(24)16-11-15-5-3-4-6-18(15)20-13-16/h3-13H,1-2H3,(H,22,24)/b21-12+	C19H18N4O	318.372	5	1	57.59	3	5	0	-0.4512	3.33597	3	4.95	29.2839	102.4497	2.4878	293.823471015096
Cond-011951	NSC20192	20192	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	18.1585760985339	C(CCCCCCCCCCC)C(C(=O)OCC)(C(=O)OCC)NC(=O)C	InChI=1S/C21H39NO5/c1-5-8-9-10-11-12-13-14-15-16-17-21(22-18(4)23,19(24)26-6-2)20(25)27-7-3/h5-17H2,1-4H3,(H,22,23)	C21H39NO5	385.538	6	1	81.7	0	19	2	-2.9597	4.53239000000001	3.11	6.969	87.1998	109.5177	3.33179999999999	418.810653452575
Cond-011952	NSC20192	20192	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C(CCCCCCCCCCC)C(C(=O)OCC)(C(=O)OCC)NC(=O)C	InChI=1S/C21H39NO5/c1-5-8-9-10-11-12-13-14-15-16-17-21(22-18(4)23,19(24)26-6-2)20(25)27-7-3/h5-17H2,1-4H3,(H,22,23)	C21H39NO5	385.538	6	1	81.7	0	19	2	-2.9597	4.53239000000001	3.11	6.969	87.1998	109.5177	3.33179999999999	418.810653452575
Cond-011953	NSC201989	201989	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	20.5692342082106	c1cc(ccc1)CCN1C(=S)SCN(C1)CCc1ccccc1	InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2	C19H22N2S2	342.521	2	0	63.87	3	6	1	1.9319	4.0225	3.11	8.155	52.9208	103.627	2.6855	318.867148115802
Cond-011954	NSC201989	201989	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(ccc1)CCN1C(=S)SCN(C1)CCc1ccccc1	InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2	C19H22N2S2	342.521	2	0	63.87	3	6	1	1.9319	4.0225	3.11	8.155	52.9208	103.627	2.6855	318.867148115802
Cond-011955	NSC202386	202386	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.51820549868	n1c2ccc(cc2c(cc1)Nc1ccc(c(c1)N(=O)=O)C(=O)Nc1ccc(cc1)Nc1ccncc1)N(=O)=O	InChI=1S/C27H19N7O5/c35-27(32-18-3-1-17(2-4-18)30-19-9-12-28-13-10-19)22-7-5-20(15-26(22)34(38)39)31-25-11-14-29-24-8-6-21(33(36)37)16-23(24)25/h1-16H,(H,28,30)(H,29,31)(H,32,35)	C27H19N7O5	521.484	12	3	165.22	5	9	1	-0.1554	8.07755	3.11	5.938	21.8215	155.2301	3.63100000000001	435.374407141575
Cond-011956	NSC202705	202705	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	10.7386944445674	Clc1ccc(cc1)NC(=O)Nc1c2nsnc2ccc1	InChI=1S/C13H9ClN4OS/c14-8-4-6-9(7-5-8)15-13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-7H,(H2,15,16,19)	C13H9ClN4OS	304.755	5	2	95.15	3	4	0	0.7072	4.78687	2.12	3.373	23.3517	84.8484	2.0143	229.040572489528
Cond-011957	NSC202705	202705	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	Clc1ccc(cc1)NC(=O)Nc1c2nsnc2ccc1	InChI=1S/C13H9ClN4OS/c14-8-4-6-9(7-5-8)15-13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-7H,(H2,15,16,19)	C13H9ClN4OS	304.755	5	2	95.15	3	4	0	0.7072	4.78687	2.12	3.373	23.3517	84.8484	2.0143	229.040572489528
Cond-011958	NSC202883	202883	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.5315720560533	C(#C)CNc1ccc(cc1)C(=O)OCC	InChI=1S/C12H13NO2/c1-3-9-13-11-7-5-10(6-8-11)12(14)15-4-2/h1,5-8,13H,4,9H2,2H3	C12H13NO2	203.237	3	1	38.33	1	5	0	0.6177	1.95638	2.45	2.405	32.0586	62.0977	1.65	205.610276914889
Cond-011959	NSC203065	203065	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.614725983165	C(#C)C1(N2CCCCC2)CCCCC1	InChI=1S/C13H21N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h1H,3-12H2	C13H21N	191.313	1	0	3.24	2	1	0	-0.700400000000001	2.88799	2.78	2.776	48.7628	59.428	1.7369	214.415184242034
Cond-011960	NSC203837	203837	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	74.4569799561839	o1nc(cc1C)NC(=O)Nc1c2ccccc2ccc1	InChI=1S/C15H13N3O2/c1-10-9-14(18-20-10)17-15(19)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H2,16,17,18,19)	C15H13N3O2	267.283	5	2	67.16	3	4	0	-0.3423	4.27879	2.56	4.664	17.2942	82.5014	1.9691	227.705916405623
Cond-011961	NSC203912	203912	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2441453823021	Clc1cc(OCC(=O)Nc2ccc(cc2Cl)N(=O)=O)c(Cl)cc1Cl	InChI=1S/C14H8Cl4N2O4/c15-8-4-11(18)13(5-9(8)16)24-6-14(21)19-12-2-1-7(20(22)23)3-10(12)17/h1-5H,6H2,(H,19,21)	C14H8Cl4N2O4	410.036	6	1	81.47	2	6	0	2.6466	6.41967	1.9	4.127	39.975	101.1237	2.444	301.094354755245
Cond-011962	NSC204232	204232	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	114.175279892123	c1cc(cc(c1)NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1)N(=O)=O)N(=O)=O	InChI=1S/C20H14N4O6/c25-19(21-15-6-2-8-17(11-15)23(27)28)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)	C20H14N4O6	406.348	10	2	144.48	3	8	1	0.0506000000000006	4.89417	2.56	5.499	22.663	115.7959	2.7932	347.161213041368
Cond-011963	NSC204262	204262	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.6719231754185	Clc1ccc(cc1Cl)NC(=O)Oc1ccc(cc1)NC(=S)NCC=C	InChI=1S/C17H15Cl2N3O2S/c1-2-9-20-16(25)21-11-3-6-13(7-4-11)24-17(23)22-12-5-8-14(18)15(19)10-12/h2-8,10H,1,9H2,(H,22,23)(H2,20,21,25)	C17H15Cl2N3O2S	396.291	5	3	94.48	2	9	1	2.3951	5.70176	2.45	5.013	52.8169	111.8591	2.7248	331.849045255823
Cond-011964	NSC204665	204665	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	108.136220773368	Clc1c(cc(OC(=O)Nc2ccc(cc2)C(=O)OCC)c(c1)C(C)C)C	InChI=1S/C20H22ClNO4/c1-5-25-19(23)14-6-8-15(9-7-14)22-20(24)26-18-10-13(4)17(21)11-16(18)12(2)3/h6-12H,5H2,1-4H3,(H,22,24)	C20H22ClNO4	375.846	5	1	64.63	2	8	1	2.1368	5.97789	3	5.923	50.4605	106.3842	2.8224	348.24029899098
Cond-011965	NSC204920	204920	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	22.5138126826407	n1ccc(cc1)/C=C/c1ccc(cc1)N(=O)=O	InChI=1S/C13H10N2O2/c16-15(17)13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12/h1-10H	C13H10N2O2	226.231	4	0	56.03	2	3	0	1.1279	3.28948	2.45	4.816	14.2086	67.39	1.6961	205.373645646523
Cond-011966	NSC204939	204939	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.511034508644	n1c(cc(c2c3ccccc3ccc12)OCC)C(=O)OCC	InChI=1S/C18H17NO3/c1-3-21-16-11-15(18(20)22-4-2)19-14-10-9-12-7-5-6-8-13(12)17(14)16/h5-11H,3-4H2,1-2H3	C18H17NO3	295.332	4	0	48.42	3	5	1	0.4602	4.33698	3	5.252	27.8918	90.4370000000001	2.2509	266.390576567451
Cond-011967	NSC204976	204976	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.426995776515	n1ccc(cc1)C(=O)N(c1ccccc1)C	InChI=1S/C13H12N2O/c1-15(12-5-3-2-4-6-12)13(16)11-7-9-14-10-8-11/h2-10H,1H3	C13H12N2O	212.247	3	0	33.2	2	3	0	-0.5325	2.85368	2.56	3.112	13.1382	66.858	1.6804	199.219877646761
Cond-011968	NSC20559	20559	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8004634965311	c1c(nc(cc1)NC(=O)C)NC(=O)C	InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)	C9H11N3O2	193.203	5	2	71.09	1	4	0	-1.2498	2.23757	1.9	0.892	25.7318	57.3714	1.4699	178.352302154422
Cond-011969	NSC205827	205827	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.367377556012	c1(ccccc1NC(=O)Nc1ccc(cc1)SC)C(=O)N	InChI=1S/C15H15N3O2S/c1-21-11-8-6-10(7-9-11)17-15(20)18-13-5-3-2-4-12(13)14(16)19/h2-9H,1H3,(H2,16,19)(H2,17,18,20)	C15H15N3O2S	301.363	5	4	109.52	2	6	0	-0.5696	3.71988	2.45	3.53	30.8743	89.0888	2.2412	269.471399164023
Cond-011970	NSC205832	205832	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.699929318189	Clc1cc(c(cc1)OC)NC(=O)Oc1ccc(OCCCC)cc1	InChI=1S/C18H20ClNO4/c1-3-4-11-23-14-6-8-15(9-7-14)24-18(21)20-16-12-13(19)5-10-17(16)22-2/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)	C18H20ClNO4	349.809	5	1	56.79	2	9	1	-0.0587	5.83727	2.78	5.103	39.7774	99.6537	2.5836	316.284788440046
Cond-011971	NSC205842	205842	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.477480761724	c1(c(c(ccc1)C)NC(=O)Nc1ccc(cc1)S(=O)(=O)N)C	InChI=1S/C15H17N3O3S/c1-10-4-3-5-11(2)14(10)18-15(19)17-12-6-8-13(9-7-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	C15H17N3O3S	319.379	6	4	109.67	2	5	0	-0.2802	2.83892	2.34	2.533	32.0884	82.3718	2.3429	280.898084565384
Cond-011972	NSC205843	205843	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.769532664533	o1cccc1CNC(=O)Nc1c(cccc1C)C	InChI=1S/C14H16N2O2/c1-10-5-3-6-11(2)13(10)16-14(17)15-9-12-7-4-8-18-12/h3-8H,9H2,1-2H3,(H2,15,16,17)	C14H16N2O2	244.289	4	2	54.27	2	5	0	0.5138	2.55143	2.56	2.999	27.2781	73.3244	1.923	227.942547673989
Cond-011973	NSC20586	20586	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5985626510168	c1cc(ccc1NC(=N)N)NC(=N)N	InChI=1S/C8H12N6/c9-7(10)13-5-1-2-6(4-3-5)14-8(11)12/h1-4H,(H4,9,10,13)(H4,11,12,14)	C8H12N6	192.221	6	8	123.8	1	4	1	-0.939	0.89485	1.68	1.502	22.3994	59.2446	1.511	176.466144751934
Cond-011974	NSC205909	205909	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	93.7610060203374	o1cccc1C(=O)NC(=S)Nc1ccc(cc1)OCC	InChI=1S/C14H14N2O3S/c1-2-18-11-7-5-10(6-8-11)15-14(20)16-13(17)12-4-3-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)	C14H14N2O3S	290.338	5	2	95.59	2	7	0	0.1924	3.37358	2.34	3.196	36.1037	83.2704	2.1022	252.60533973135
Cond-011975	NSC205912	205912	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.421308086347	o1cccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N	InChI=1S/C12H11N3O4S2/c13-21(17,18)9-5-3-8(4-6-9)14-12(20)15-11(16)10-2-1-7-19-10/h1-7H,(H2,13,17,18)(H2,14,15,16,20)	C12H11N3O4S2	325.363	7	4	154.9	2	6	0	-0.9427	1.57428	1.79	1.301	35.6357	78.0618	2.1424	256.309381445945
Cond-011976	NSC205913	205913	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.815344570519	o1cccc1C(=O)NC(=S)Nc1cccc(c1)O	InChI=1S/C12H10N2O3S/c15-9-4-1-3-8(7-9)13-12(18)14-11(16)10-5-2-6-17-10/h1-7,15H,(H2,13,14,16,18)	C12H10N2O3S	262.284	5	3	106.59	2	5	0	-0.4665	2.68048	2.12	2.254	27.0587	73.7662	1.8204	218.013370479617
Cond-011977	NSC20618	20618	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.7120862455693	c1(cccc(n1)NC(=S)Nc1cccc(n1)C)C	InChI=1S/C13H14N4S/c1-9-5-3-7-11(14-9)16-13(18)17-12-8-4-6-10(2)15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)	C13H14N4S	258.342	4	2	81.93	2	4	0	1.1504	3.86143	2.34	3.991	29.3985	78.4544	1.9848	230.932195420134
Cond-011978	NSC20619	20619	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.6728934486508	c1ccc(c(n1)NC(=S)Nc1c(cccn1)C)C	InChI=1S/C13H14N4S/c1-9-5-3-7-14-11(9)16-13(18)17-12-10(2)6-4-8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)	C13H14N4S	258.342	4	2	81.93	2	4	0	1.5554	3.45624	2.34	3.221	28.9377	77.4134	1.9848	230.932195420134
Cond-011979	NSC206630	206630	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.273700398912	C1C(CN1C(C)(C)C)OC(=O)N	InChI=1S/C8H16N2O2/c1-8(2,3)10-4-6(5-10)12-7(9)11/h6H,4-5H2,1-3H3,(H2,9,11)	C8H16N2O2	172.225	4	2	55.56	1	3	0	0.935599999999998	0.16239	1.9	0.343	44.0136	48.6364	1.4012	171.505392123589
Cond-011980	NSC207895	207895	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1c2c(ccc(c2n(=O)o1)N1CCN(CC1)C)N(=O)=O	InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3	C11H13N5O4	279.252	9	0	101.11	3	2	0	0.8443	1.58568	1.68	1.715	37.0246	75.491	1.8515	216.905327822012
Cond-011981	NSC207895	207895	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.67477639996657	n1c2c(ccc(c2n(=O)o1)N1CCN(CC1)C)N(=O)=O	InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3	C11H13N5O4	279.252	9	0	101.11	3	2	0	0.8443	1.58568	1.68	1.715	37.0246	75.491	1.8515	216.905327822012
Cond-011982	NSC209901	209901	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	105.636170336802	Clc1cccc2sc(nc12)Oc1cc(Cl)c(Cl)cc1	InChI=1S/C13H6Cl3NOS/c14-8-5-4-7(6-10(8)16)18-13-17-12-9(15)2-1-3-11(12)19-13/h1-6H	C13H6Cl3NOS	330.617	2	0	50.36	3	2	0	2.6694	6.41237	2.23	4.816	26.2594	80.82	2.0027	229.108886106695
Cond-011983	NSC21034	21034	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8483975884661	O1c2cc(c(cc2OC1)/C=C\C(=O)O)N(=O)=O	InChI=1S/C10H7NO6/c12-10(13)2-1-6-3-8-9(17-5-16-8)4-7(6)11(14)15/h1-4H,5H2,(H,12,13)/b2-1-	C10H7NO6	237.166	7	1	98.9	2	3	0	0.4787	1.83227	1.79	1.564	28.8249	62.0048	1.4944	193.8227557646
Cond-011984	NSC210816	210816	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.108530320923	n1cc(ccc1)NC(=O)c1cccc(c1)N(=O)=O	InChI=1S/C12H9N3O3/c16-12(14-10-4-2-6-13-8-10)9-3-1-5-11(7-9)15(17)18/h1-8H,(H,14,16)	C12H9N3O3	243.218	6	1	85.13	2	4	0	0.0253000000000003	2.66958	2.12	2.646	11.3315	70.4247	1.7137	207.864647929384
Cond-011985	NSC211336	211336	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3224194874646	O(c1ccc(cc1Cl)N(=O)=O)CCCNC(=O)C	InChI=1S/C11H13ClN2O4/c1-8(15)13-5-2-6-18-11-4-3-9(14(16)17)7-10(11)12/h3-4,7H,2,5-6H2,1H3,(H,13,15)	C11H13ClN2O4	272.685	6	1	81.47	1	7	0	0.3606	2.74688	1.9	2.193	36.3266	74.0797	1.8917	234.739032369545
Cond-011986	NSC211340	211340	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.8038508137969	c1ccc(c(c1)N(=O)=O)CSc1nc(c2c(n1)[nH]cn2)O	InChI=1S/C12H9N5O3S/c18-11-9-10(14-6-13-9)15-12(16-11)21-5-7-3-1-2-4-8(7)17(19)20/h1-4,6H,5H2,(H2,13,14,15,16,18)	C12H9N5O3S	303.297	8	2	143.13	3	4	0	0.3816	1.75148	1.79	2.498	22.2603	75.6238	1.9682	225.110733702517
Cond-011987	NSC211356	211356	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.108493120711	n1c(=O)c(c([nH]c1NC(=O)C)C)CCCOc1ccc(cc1)N(=O)=O	InChI=1S/C16H18N4O5/c1-10-14(15(22)19-16(17-10)18-11(2)21)4-3-9-25-13-7-5-12(6-8-13)20(23)24/h5-8H,3-4,9H2,1-2H3,(H2,17,18,19,21,22)	C16H18N4O5	346.338	9	2	122.93	2	8	0	-0.795900000000001	2.06726	2.23	3.144	58.4641	97.6424000000001	2.4945	316.52580004214
Cond-011988	NSC211490	211490	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.7260413105324	O1C(=CC(c2c1c1ccccc1oc2=O)c1cc(c(cc1)OC)OC)c1ccc(c(c1)OC)OC	InChI=1S/C28H24O7/c1-30-21-11-9-16(13-24(21)32-3)19-15-23(17-10-12-22(31-2)25(14-17)33-4)34-27-18-7-5-6-8-20(18)35-28(29)26(19)27/h5-15,19H,1-4H3	C28H24O7	472.486	7	0	72.45	5	6	1	-0.607500000000001	5.57546	3.77	5.48	58.9708	133.072	3.4057	428.255817215397
Cond-011989	NSC211787	211787	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.638423642718	O(c1cc(c(cc1)N(=O)=O)C)CCCCOc1ccc(cc1)C#N	InChI=1S/C18H18N2O4/c1-14-12-17(8-9-18(14)20(21)22)24-11-3-2-10-23-16-6-4-15(13-19)5-7-16/h4-9,12H,2-3,10-11H2,1H3	C18H18N2O4	326.347	6	0	85.39	2	8	0	0.4758	4.7751	2.78	4.557	34.0765	94.9450000000001	2.475	306.797563476179
Cond-011990	NSC21333	21333	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.368883039396	N1(CCC(CC1)(c1cc(cc(c1)OC)OC)C#N)C	InChI=1S/C15H20N2O2/c1-17-6-4-15(11-16,5-7-17)12-8-13(18-2)10-14(9-12)19-3/h8-10H,4-7H2,1-3H3	C15H20N2O2	260.332	4	0	45.49	2	3	0	0.211200000000002	2.25699	2.67	1.255	50.3734	75.0860000000001	2.1069	258.774991000656
Cond-011991	NSC213708	213708	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.0406999687028	Fc1ccc(F)cc1NC(=O)Nc1noc(c1)C	InChI=1S/C11H9F2N3O2/c1-6-4-10(16-18-6)15-11(17)14-9-5-7(12)2-3-8(9)13/h2-5H,1H3,(H2,14,15,16,17)	C11H9F2N3O2	253.205	5	2	67.16	2	4	0	0.6171	3.40379	1.9	2.706	19.0392	64.9114	1.6355	199.186471705169
Cond-011992	NSC214009	214009	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	103.500539474736	N(=N\c1ccc(cc1NC(=O)Nc1ccccc1F)C)/c1ccc(cc1)C	InChI=1S/C21H19FN4O/c1-14-7-10-16(11-8-14)25-26-19-12-9-15(2)13-20(19)24-21(27)23-18-6-4-3-5-17(18)22/h3-13H,1-2H3,(H2,23,24,27)	C21H19FN4O	362.4	5	2	65.85	3	6	1	1.136	6.637	3.11	7.712	21.8193	107.5364	2.7443	331.846540416336
Cond-011993	NSC214029	214029	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.48065696907	Fc1cc(ccc1)C(=O)Nc1cc2ccccc2cc1	InChI=1S/C17H12FNO/c18-15-7-3-6-14(10-15)17(20)19-16-9-8-12-4-1-2-5-13(12)11-16/h1-11H,(H,19,20)	C17H12FNO	265.282	2	1	29.1	3	3	1	-0.1551	4.79968	3	6.201	8.314	81.5657	1.9673	234.945238689968
Cond-011994	NSC215275	215275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	67.1873963644705	S1CC(=C(C1)Nc1ccccc1)C(=O)Nc1ccccc1	InChI=1S/C17H16N2OS/c20-17(19-14-9-5-2-6-10-14)15-11-21-12-16(15)18-13-7-3-1-4-8-13/h1-10,18H,11-12H2,(H,19,20)	C17H16N2OS	296.387	3	2	66.43	3	5	1	-0.616	5.09836	2.89	5.354	36.3856	92.9464	2.2559	271.919922806228
Cond-011995	NSC215276	215276	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7632161951513	c1(c(cc(cc1)C)C(=O)CCC(=O)O)C	InChI=1S/C12H14O3/c1-8-3-4-9(2)10(7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)	C12H14O3	206.238	3	1	54.37	1	4	0	0.85	2.02403	2.45	2.947	32.6679	58.1653	1.6519	206.040202108084
Cond-011996	NSC215585	215585	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.686612003318	Clc1ccc(c(c1)NC(=O)Nc1noc(c1)C)C	InChI=1S/C12H12ClN3O2/c1-7-3-4-9(13)6-10(7)14-12(17)15-11-5-8(2)18-16-11/h3-6H,1-2H3,(H2,14,15,16,17)	C12H12ClN3O2	265.696	5	2	67.16	2	4	0	1.044	3.86172	2.12	2.996	28.4119	73.9114	1.8634	219.558406400856
Cond-011997	NSC215684	215684	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.2456682325496	O(c1ccc(cc1)OC)C(=O)Nc1ccc(cc1OC)N(=O)=O	InChI=1S/C15H14N2O6/c1-21-11-4-6-12(7-5-11)23-15(18)16-13-8-3-10(17(19)20)9-14(13)22-2/h3-9H,1-2H3,(H,16,18)	C15H14N2O6	318.281	8	1	99.93	2	7	0	0.4725	3.78077	2.23	3.544	27.3144	89.3207000000001	2.2127	275.126521700501
Cond-011998	NSC215689	215689	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	93.8957017133094	O(c1ccc(cc1)NC(=O)C)C(=O)Nc1ccc(cc1OC)N(=O)=O	InChI=1S/C16H15N3O6/c1-10(20)17-11-3-6-13(7-4-11)25-16(21)18-14-8-5-12(19(22)23)9-15(14)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21)	C16H15N3O6	345.307	9	2	119.8	2	8	0	-0.1006	3.73057	2.23	3.234	32.8645	97.0724	2.4104	300.782807833734
Cond-011999	NSC215718	215718	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	57.0629631759648	Brc1cccc(c1)C(=O)NC(=S)Nc1cccc2c1cccc2O	InChI=1S/C18H13BrN2O2S/c19-12-5-1-4-11(10-12)17(23)21-18(24)20-15-8-2-7-14-13(15)6-3-9-16(14)22/h1-10,22H,(H2,20,21,23,24)	C18H13BrN2O2S	401.277	4	3	93.45	3	5	1	0.5764	5.00318	2.78	5.11	34.0387	106.7062	2.5445	301.116835708623
Cond-012000	NSC215721	215721	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.205271505894	Clc1ccc(c(c1)NC(=S)NC(=O)c1cccc(Br)c1)O	InChI=1S/C14H10BrClN2O2S/c15-9-3-1-2-8(6-9)13(20)18-14(21)17-11-7-10(16)4-5-12(11)19/h1-7,19H,(H2,17,18,20,21)	C14H10BrClN2O2S	385.663	4	3	93.45	2	5	0	1.3207	4.50338	2.23	4.603	39.6543	94.2102	2.2979	275.673341077989
Cond-012001	NSC21603	21603	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	36.4327927567584	[C@@H]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@H](C2)C)C)C)O	InChI=1S/C20H34O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h13-18,21H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18-,19-,20-/m0/s1	C20H34O	290.483	1	1	20.23	4	0	1	0.663500000000004	5.02610000000001	3.55	7.5	83.2612	86.8978000000001	2.5509	313.840543115496
Cond-012002	NSC216183	216183	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.167730455805	Fc1cc(ccc1)NC(=O)Nc1c(ccc(c1)N(=O)=O)C	InChI=1S/C14H12FN3O3/c1-9-5-6-12(18(20)21)8-13(9)17-14(19)16-11-4-2-3-10(15)7-11/h2-8H,1H3,(H2,16,17,19)	C14H12FN3O3	289.262	6	2	84.27	2	5	0	1.1541	4.1178	2.23	3.972	20.2072	81.2574	2.0132	248.524176031424
Cond-012003	NSC216606	216606	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.585215811013	Fc1ccc(cc1)NC(=O)OCCOc1ccc(Br)cc1	InChI=1S/C15H13BrFNO3/c16-11-1-7-14(8-2-11)20-9-10-21-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19)	C15H13BrFNO3	354.171	4	1	47.56	2	7	0	1.1536	4.91457	2.45	4.748	29.3079	86.1657	2.1725	265.746717919324
Cond-012004	NSC216607	216607	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.312518068989	Fc1ccc(cc1)NC(=O)OCCOc1ccc(cc1)N(=O)=O	InChI=1S/C15H13FN2O5/c16-11-1-3-12(4-2-11)17-15(19)23-10-9-22-14-7-5-13(6-8-14)18(20)21/h1-8H,9-10H2,(H,17,19)	C15H13FN2O5	320.273	7	1	90.7	2	8	0	0.9249	3.91927	2.23	4.201	24.5988	86.9937	2.1717	272.403853850246
Cond-012005	NSC216618	216618	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.412461539559	N1(CCN(CC1)C(=O)Nc1cccc(c1)SC)C	InChI=1S/C13H19N3OS/c1-15-6-8-16(9-7-15)13(17)14-11-4-3-5-12(10-11)18-2/h3-5,10H,6-9H2,1-2H3,(H,14,17)	C13H19N3OS	265.374	4	1	60.88	2	4	0	0.227100000000002	2.38588	2.34	1.834	50.8763	79.4087	2.0727	247.535038014928
Cond-012006	NSC216621	216621	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.275062178155	O(C1CCCCCCCCCCC1)C(=O)Nc1cccc(c1)SC	InChI=1S/C20H31NO2S/c1-24-19-15-11-12-17(16-19)21-20(22)23-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,21,22)	C20H31NO2S	349.531	3	1	63.63	2	5	1	-2.6095	6.82838000000001	3.22	7.822	57.7085	105.9987	2.9181	355.403636680224
Cond-012007	NSC216623	216623	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4458335102022	c1(ccccc1NC(=O)Nc1cccc(c1)SC)C(=O)N	InChI=1S/C15H15N3O2S/c1-21-11-6-4-5-10(9-11)17-15(20)18-13-8-3-2-7-12(13)14(16)19/h2-9H,1H3,(H2,16,19)(H2,17,18,20)	C15H15N3O2S	301.363	5	4	109.52	2	6	0	-0.5696	3.71988	2.45	3.53	30.8743	89.0888	2.2412	269.471399164023
Cond-012008	NSC216633	216633	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	67.4190482842795	Clc1c(c(Cl)ccc1)NC(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1	InChI=1S/C18H16Cl2N4O2/c1-11-15(17(25)24(23(11)2)12-7-4-3-5-8-12)21-18(26)22-16-13(19)9-6-10-14(16)20/h3-10H,1-2H3,(H2,21,22,26)	C18H16Cl2N4O2	391.251	6	2	64.68	3	5	0	0.3553	4.89136	2.56	4.47	51.9165	106.2584	2.6934	329.276307331457
Cond-012009	NSC21678	21678	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.170896543784	[nH]1nc(c(/N=N/c2ccc(cc2)OC)c1N)N	InChI=1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)	C10H12N6O	232.242	7	5	114.67	2	3	0	-1.972	1.71677	1.79	1.999	19.06	67.6858	1.6999	193.955423302628
Cond-012010	NSC21683	21683	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.513070776822	N(=N\c1c(n(nc1N)c1ccccc1)N)/c1ccc(cc1)C	InChI=1S/C16H16N6/c1-11-7-9-12(10-8-11)19-20-14-15(17)21-22(16(14)18)13-5-3-2-4-6-13/h2-10H,18H2,1H3,(H2,17,21)	C16H16N6	292.338	6	4	94.06	3	3	1	-0.8446	3.70489	2.56	5.096	16.8443	89.7598	2.249	257.775269554068
Cond-012011	NSC21709	21709	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8539680123493	O=c1n(c(=O)c2n(c(nc2n1C)N1CCOCC1)C)C	InChI=1S/C12H17N5O3/c1-14-8-9(15(2)12(19)16(3)10(8)18)13-11(14)17-4-6-20-7-5-17/h4-7H2,1-3H3	C12H17N5O3	279.295	8	0	70.91	3	1	0	-0.525599999999998	0.67727	1.9	-0.931	58.2381	77.236	1.9767	238.947544448117
Cond-012012	NSC21710	21710	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.506014004642	O=c1n(c(=O)c2n(c(nc2n1C)N1CCCCC1)C)C	InChI=1S/C13H19N5O2/c1-15-9-10(16(2)13(20)17(3)11(9)19)14-12(15)18-7-5-4-6-8-18/h4-8H2,1-3H3	C13H19N5O2	277.322	7	0	61.68	3	1	0	-1.2587	1.83097	2.12	0.333	55.9294	80.268	2.0589	247.453302373423
Cond-012013	NSC21725	21725	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5323117708496	N12[C@H](C3Cn4c(=O)cccc4C(C2)C3)CCCC1	InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m0/s1	C15H20N2O	244.332	3	0	23.55	4	0	0	-1.6689	1.85917	2.78	0.889	66.9696	72.448	1.917	241.444764300095
Cond-012014	NSC217306	217306	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.941153444712	C12(C(O1)(Cc1c(c(ccc1OC(=O)C)OC(=O)C)C2)C)C	InChI=1S/C16H18O5/c1-9(17)19-13-5-6-14(20-10(2)18)12-8-16(4)15(3,21-16)7-11(12)13/h5-6H,7-8H2,1-4H3	C16H18O5	290.311	5	0	65.13	3	4	0	0.635099999999998	3.41887	2.67	2.742	50.6315	81.728	2.1157	268.091676611073
Cond-012015	NSC217697	217697	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5558517091345	C1(Nc2c(C(=C1)C)cc(cc2)Cc1ccc2NC(C=C(c2c1)C)(C)C)(C)C	InChI=1S/C25H30N2/c1-16-14-24(3,4)26-22-9-7-18(12-20(16)22)11-19-8-10-23-21(13-19)17(2)15-25(5,6)27-23/h7-10,12-15,26-27H,11H2,1-6H3	C25H30N2	358.519	2	2	24.06	4	2	1	2.632	6.90469000000001	3.99	6.357	67.9382	117.6174	3.0523	370.632090354202
Cond-012016	NSC217913	217913	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	39.9868922983538	Clc1c(Cl)nc2c(n1)nc([nH]2)SCC(=O)OCC	InChI=1S/C9H8Cl2N4O2S/c1-2-17-4(16)3-18-9-14-7-8(15-9)13-6(11)5(10)12-7/h2-3H2,1H3,(H,12,13,14,15)	C9H8Cl2N4O2S	307.156	6	1	106.06	2	5	0	1.2974	1.90517	1.46	1.511	44.1421	69.429	1.8694	215.023763260256
Cond-012017	NSC220030	220030	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8914814400567	n1c(ccc(C#CC(C)(O)C(C)(C)C)c1)C	InChI=1S/C14H19NO/c1-11-6-7-12(10-15-11)8-9-14(5,16)13(2,3)4/h6-7,10,16H,1-5H3	C14H19NO	217.307	2	1	33.12	1	1	0	2.2804	2.79771	2.78	3.057	44.0228	65.4958	1.9161	234.048478166861
Cond-012018	NSC22070	22070	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	49.18613747968	CC12C(O1)CC/C(=C/C(C1C(C2)OC(=O)C1=C)OC(=O)C)/C	InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+	C17H22O5	306.354	5	0	65.13	3	2	0	0.826999999999996	2.38987	2.78	1.792	76.4154	81.653	2.2996	298.92411993774
Cond-012019	NSC221019	221019	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C1O[C@H](COC)[C@@]2(C3=C([C@H]4[C@@](C[C@H]3OC(=O)C)(C)C(=O)CC4)C(=O)c3c2c1co3)C	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	C23H24O8	428.432	8	0	109.11	5	4	0	-0.152100000000002	2.43098	3.11	-0.375	90.9124	107.2565	2.9749	385.548414290624
Cond-012020	NSC221019	221019	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	20.4980590842857	O=C1O[C@H](COC)[C@@]2(C3=C([C@H]4[C@@](C[C@H]3OC(=O)C)(C)C(=O)CC4)C(=O)c3c2c1co3)C	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	C23H24O8	428.432	8	0	109.11	5	4	0	-0.152100000000002	2.43098	3.11	-0.375	90.9124	107.2565	2.9749	385.548414290624
Cond-012021	NSC222362	222362	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.1451313845225	O=[As](C1CCCCC1O)(c1ccc(Cl)cc1)O	InChI=1S/C12H16AsClO3/c14-10-7-5-9(6-8-10)13(16,17)11-3-1-2-4-12(11)15/h5-8,11-12,15H,1-4H2,(H,16,17)	C12H16AsClO3	318.628	3	2	57.53	2	2	0	-1.1084	2.17919	2.23	3.534	30.3431	65.4591	2.0018	236.087806257684
Cond-012022	NSC222365	222365	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.215292767106	Clc1ccc(OCC(O)C[As](=O)(c2ccccc2OC)O)c(Cl)c1	InChI=1S/C16H17AsCl2O5/c1-23-15-5-3-2-4-13(15)17(21,22)9-12(20)10-24-16-7-6-11(18)8-14(16)19/h2-8,12,20H,9-10H2,1H3,(H,21,22)	C16H17AsCl2O5	435.131	5	2	75.99	2	7	0	0.6556	3.47678	2.34	3.378	39.2737	93.6081	2.6762	319.253889830307
Cond-012023	NSC227186	227186	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	105.47766830408	c1(ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O)OC1OC(C(C(C1O)OC(=O)c1ccc([nH]1)C)OC)(C)C	InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)	C35H37ClN2O11	697.128	13	5	185.87	5	11	2	0.576199999999998	5.42797000000001	3.77	5.708	113.6045	183.4943	4.90580000000001	619.056745884673
Cond-012024	NSC227309	227309	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.693275876703	c1cc(c2c(c1)cc(c(n2)C)CO)O	InChI=1S/C11H11NO2/c1-7-9(6-13)5-8-3-2-4-10(14)11(8)12-7/h2-5,13-14H,6H2,1H3	C11H11NO2	189.211	3	2	53.35	2	1	0	-0.4695	1.95171	2.34	1.331	15.5739	55.9408	1.4435	167.694292289022
Cond-012025	NSC227383	227383	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6878510137906	c1ccc2c(c1)nc([nH]2)NS(=O)(=O)C	InChI=1S/C8H9N3O2S/c1-14(12,13)11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H2,9,10,11)	C8H9N3O2S	211.241	5	2	83.23	2	2	0	-1.2546	1.37158	1.68	2	20.1383	51.7297	1.4269	158.945341586156
Cond-012026	NSC22801	22801	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.307756194614	O=C1N(C(=O)c2c1cccc2)CCc1ncc(cc1)CC	InChI=1S/C17H16N2O2/c1-2-12-7-8-13(18-11-12)9-10-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-8,11H,2,9-10H2,1H3	C17H16N2O2	280.321	4	0	50.27	3	4	0	-0.727799999999999	2.45109	2.89	3.877	30.3573	82.1495	2.1511	262.20112544919
Cond-012027	NSC22806	22806	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.87828960619	N1(CC(CCC1)C(=O)Nc1ccc(cc1)OCC)C	InChI=1S/C15H22N2O2/c1-3-19-14-8-6-13(7-9-14)16-15(18)12-5-4-10-17(2)11-12/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)	C15H22N2O2	262.347	4	1	41.57	2	5	0	-0.4746	3.19958	2.67	2.08	48.0552	79.9477000000001	2.1499	261.411449701456
Cond-012028	NSC228137	228137	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.6781216785939	c1cc(S(=O)(=O)c2ccc(OCC)c3c2n(=O)on3)ccc1C	InChI=1S/C15H14N2O5S/c1-3-21-12-8-9-13(15-14(12)16-22-17(15)18)23(19,20)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3	C15H14N2O5S	334.347	7	0	103.24	3	4	0	0.4245	3.84009	2.23	4.097	28.5464	79.652	2.2519	264.22531905754
Cond-012029	NSC228150	228150	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	8.8942980474759	c1cc(S(=O)c2ccc(c3c2non3)N(=O)=O)ccc1C	InChI=1S/C13H9N3O4S/c1-8-2-4-9(5-3-8)21(19)11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3	C13H9N3O4S	303.293	7	0	118.34	3	3	0	0.6268	3.0454	2.01	2.415	20.1764	71.9845	1.9682	229.203424612612
Cond-012030	NSC228150	228150	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1cc(S(=O)c2ccc(c3c2non3)N(=O)=O)ccc1C	InChI=1S/C13H9N3O4S/c1-8-2-4-9(5-3-8)21(19)11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3	C13H9N3O4S	303.293	7	0	118.34	3	3	0	0.6268	3.0454	2.01	2.415	20.1764	71.9845	1.9682	229.203424612612
Cond-012031	NSC228155	228155	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1cc(Sc2ccc(c3c2non3)N(=O)=O)n(=O)cc1	InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H	C11H6N4O4S	290.255	8	0	132.82	3	3	0	1.0733	2.40798	1.68	2.351	14.7455	68.752	1.7862	205.608215569045
Cond-012032	NSC228155	228155	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.43550807499229	c1cc(Sc2ccc(c3c2non3)N(=O)=O)n(=O)cc1	InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H	C11H6N4O4S	290.255	8	0	132.82	3	3	0	1.0733	2.40798	1.68	2.351	14.7455	68.752	1.7862	205.608215569045
Cond-012033	NSC22847	22847	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.234062001715	C1C(CCC1)(NC(=O)C)C(=O)O	InChI=1S/C8H13NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2-5H2,1H3,(H,9,10)(H,11,12)	C8H13NO3	171.194	4	2	66.4	1	3	0	-1.2144	0.75379	1.9	0.104	37.115	45.8945	1.3171	166.662399915183
Cond-012034	NSC22881	22881	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.216874798465	O1C(c2ccc(c3ccc(C4OC4C)cc3)cc2)C1C	InChI=1S/C18H18O2/c1-11-17(19-11)15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20-18/h3-12,17-18H,1-2H3	C18H18O2	266.334	2	0	25.06	4	3	1	-0.4072	3.6394	3.22	5.598	28.6272	77.782	2.0698	250.420048359523
Cond-012035	NSC22939	22939	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.0061290345901	c1(=O)c(ncc(n1O)C(CC)C)CC(C)C	InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3	C12H20N2O2	224.299	4	1	52.9	1	4	0	-1.7514	2.75248	2.34	1.777	61.6913	66.0335	1.8788	235.416413225456
Cond-012036	NSC23123	23123	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	77.0684846445888	O=C1C2=C(CCC(=C2C(=O)c2c1cccc2)N)N	InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2	C14H12N2O2	240.257	4	4	86.18	3	0	0	-1.8654	1.10577	2.56	0.98	44.8922	69.2453	1.7714	223.849630272389
Cond-012037	NSC23225	23225	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.716054367983	N1(CC(CCC1C)CC)N=O	InChI=1S/C8H16N2O/c1-3-8-5-4-7(2)10(6-8)9-11/h7-8H,3-6H2,1-2H3	C8H16N2O	156.225	3	0	32.67	1	2	0	-0.6765	1.6642	2.01	2.144	41.6424	43.745	1.3425	162.715165423028
Cond-012038	NSC23247	23247	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.516018501147	n1nn(c(n1)c1cccnc1)c1ccc(cc1)C	InChI=1S/C13H11N5/c1-10-4-6-12(7-5-10)18-13(15-16-17-18)11-3-2-8-14-9-11/h2-9H,1H3	C13H11N5	237.26	5	0	55.97	3	2	0	0.6552	2.6353	2.34	3.584	8.4001	69.433	1.7695	197.527014169101
Cond-012039	NSC23248	23248	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.33541159699	n1c(cc(nc1C)NC(=O)c1ccccc1)C	InChI=1S/C13H13N3O/c1-9-8-12(15-10(2)14-9)16-13(17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15,16,17)	C13H13N3O	227.262	4	1	54.88	2	3	0	-0.144	3.27322	2.45	3.99	19.0727	69.5857	1.7802	210.216637854928
Cond-012040	NSC234348	234348	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	41.83499011488	O=c1n(c(=O)c2c(n1C)ncn2CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C)C	InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3	C19H21ClN4O5	420.847	9	0	93.97	3	7	0	0.583000000000001	4.12416	2.45	1.952	65.8943	112.6235	2.931	360.368362989374
Cond-012041	NSC234764	234764	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.25434983966	O(c1cc(OC(=O)N)ccc1)C(=O)N	InChI=1S/C8H8N2O4/c9-7(11)13-5-2-1-3-6(4-5)14-8(10)12/h1-4H,(H2,9,11)(H2,10,12)	C8H8N2O4	196.16	6	4	104.64	1	4	0	-0.168	0.70038	1.68	0.594	17.5856	51.7798	1.3466	167.640010721511
Cond-012042	NSC234945	234945	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.6850855370175	c1ccc(nc1)c1n[nH]c(n1)c1ccccn1	InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	C12H9N5	223.233	5	1	67.35	3	2	0	-0.4204	2.35398	2.23	2.901	3.3	67.127	1.6286	180.231029543234
Cond-012043	NSC236246	236246	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	88.9897412502133	O=N1=C(/C(=N/O)/C(=N1=O)CC)c1ccccc1	InChI=1S/C11H11N3O3/c1-2-9-10(12-15)11(14(17)13(9)16)8-6-4-3-5-7-8/h3-7,15H,2H2,1H3/b12-10+	C11H11N3O3	233.223	6	1	90.09	2	2	0	-1.686	2.35039	2.01	2.598	35.0208	65.5975	1.6588	206.741580705117
Cond-012044	NSC236254	236254	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.461994413358	c1(n(n(=O)c(c1C)c1ccccc1)O)c1ccccc1	InChI=1S/C16H14N2O2/c1-12-15(13-8-4-2-5-9-13)17(19)18(20)16(12)14-10-6-3-7-11-14/h2-11,19H,1H3	C16H14N2O2	266.295	4	1	50.62	3	2	1	-0.3529	3.53601	2.78	5.806	12.0096	80.5318	2.0102	234.005140823323
Cond-012045	NSC23672	23672	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.971038690512	[nH]1c(nc(=O)cc1)Nc1ccc(Cl)cc1	InChI=1S/C10H8ClN3O/c11-7-1-3-8(4-2-7)13-10-12-6-5-9(15)14-10/h1-6H,(H2,12,13,14,15)	C10H8ClN3O	221.643	4	2	53.49	2	2	0	-0.6548	2.40926	2.01	2.901	31.042	63.8234	1.5229	187.076210448561
Cond-012046	NSC23715	23715	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.39735855828	O=c1n(c(=O)c2n(c(nc2n1C)NC(CC)C)C)C	InChI=1S/C12H19N5O2/c1-6-7(2)13-11-14-9-8(15(11)3)10(18)17(5)12(19)16(9)4/h7H,6H2,1-5H3,(H,13,14)	C12H19N5O2	265.312	7	1	70.47	2	3	0	-1.0873	2.05107	2.01	0.471	56.2791	77.5797	2.0266	242.513776448356
Cond-012047	NSC237530	237530	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.4438452127462	O=C(c1c(OC)oc(cc1=O)C=O)CCCCCCCC	InChI=1S/C16H22O5/c1-3-4-5-6-7-8-9-13(18)15-14(19)10-12(11-17)21-16(15)20-2/h10-11H,3-9H2,1-2H3	C16H22O5	294.343	5	0	69.67	1	10	0	-2.372	2.93247	2.67	3.901	70.5488	79.977	2.3329	303.704594012673
Cond-012048	NSC237530	237530	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C(c1c(OC)oc(cc1=O)C=O)CCCCCCCC	InChI=1S/C16H22O5/c1-3-4-5-6-7-8-9-13(18)15-14(19)10-12(11-17)21-16(15)20-2/h10-11H,3-9H2,1-2H3	C16H22O5	294.343	5	0	69.67	1	10	0	-2.372	2.93247	2.67	3.901	70.5488	79.977	2.3329	303.704594012673
Cond-012049	NSC238929	238929	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.619417835371	Clc1ccc(c(c1)Cl)C(=O)Nc1nscc1	InChI=1S/C10H6Cl2N2OS/c11-6-1-2-7(8(12)5-6)10(15)13-9-3-4-16-14-9/h1-5H,(H,13,14,15)	C10H6Cl2N2OS	273.138	3	1	70.23	2	3	0	1.4444	4.27068	1.9	3.239	26.4662	69.7937	1.709	198.899542068428
Cond-012050	NSC23895	23895	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	94.1485756698683	N1(CCCCC1)c1cc(c(cc1)C(=O)O)O	InChI=1S/C12H15NO3/c14-11-8-9(4-5-10(11)12(15)16)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7H2,(H,15,16)	C12H15NO3	221.252	4	2	60.77	2	2	0	-1.5277	2.04909	2.34	2.516	30.8411	64.1516	1.6861	207.31696231625
Cond-012051	NSC23906	23906	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2710211211672	c1(nc(cc(NCCCC)n1)Cl)N	InChI=1S/C8H13ClN4/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)	C8H13ClN4	200.669	4	3	63.83	1	4	0	-1.1497	2.32939	1.79	1.625	30.0584	55.8931	1.5198	174.956609507634
Cond-012052	NSC240029	240029	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3428151719656	[nH]1c(c(c(=O)nc1/C=C/C(=O)OCC)C)C(=O)OCC	InChI=1S/C13H16N2O5/c1-4-19-10(16)7-6-9-14-11(13(18)20-5-2)8(3)12(17)15-9/h6-7H,4-5H2,1-3H3,(H,14,15,17)	C13H16N2O5	280.277	7	1	94.06	1	7	0	-0.00129999999999919	0.55737	2.12	1.532	70.1012	73.3867	2.0668	271.173701850606
Cond-012053	NSC24032	24032	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.612650147359	c1ccc(cc1)Nc1cccc2c1cccc2Nc1ccccc1	InChI=1S/C22H18N2/c1-3-9-17(10-4-1)23-21-15-7-14-20-19(21)13-8-16-22(20)24-18-11-5-2-6-12-18/h1-16,23-24H	C22H18N2	310.392	2	2	24.06	4	4	1	-0.8408	7.52718	3.66	7.634	6.6	103.8834	2.5006	289.034760374202
Cond-012054	NSC24035	24035	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5452445236345	c1ccccc1Nc1ccc(cc1)NC(=O)N	InChI=1S/C13H13N3O/c14-13(17)16-12-8-6-11(7-9-12)15-10-4-2-1-3-5-10/h1-9,15H,(H3,14,16,17)	C13H13N3O	227.262	4	4	67.15	2	4	0	-1.0481	3.71897	2.45	3.067	13.2426	72.7128	1.7802	210.216637854928
Cond-012055	NSC240502	240502	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.3085979936	C1CCC(C1)(NC(=O)CCl)C(=O)O	InChI=1S/C8H12ClNO3/c9-5-6(11)10-8(7(12)13)3-1-2-4-8/h1-5H2,(H,10,11)(H,12,13)	C8H12ClNO3	205.639	4	2	66.4	1	4	0	-0.6818	0.97269	1.79	0.341	41.8682	50.9405	1.4395	181.873467685617
Cond-012056	NSC24113	24113	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c2N(c3c(Sc2ccc1)c1ccccc1cc3)CCCN(C)C	InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3	C21H21ClN2S	368.923	2	0	31.78	4	4	1	1.3011	5.48069	3.33	6.122	42.9345	105.352	2.7746	324.268243678769
Cond-012057	NSC24113	24113	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.32332783226947	Clc1c2N(c3c(Sc2ccc1)c1ccccc1cc3)CCCN(C)C	InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3	C21H21ClN2S	368.923	2	0	31.78	4	4	1	1.3011	5.48069	3.33	6.122	42.9345	105.352	2.7746	324.268243678769
Cond-012058	NSC241619	241619	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6892633180004	c1c(cc(c(c1)OC)NC(=O)N(C)Cc1ccco1)N(=O)=O	InChI=1S/C14H15N3O5/c1-16(9-11-4-3-7-22-11)14(18)15-12-8-10(17(19)20)5-6-13(12)21-2/h3-8H,9H2,1-2H3,(H,15,18)	C14H15N3O5	305.286	8	1	97.85	2	7	0	-0.0596000000000005	2.55868	2.12	2.149	33.1764	85.4857000000001	2.1559	262.673529283039
Cond-012059	NSC241621	241621	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8131494027044	N(S(=O)(=O)Nc1cc(ccc1)Br)(C)C	InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,1-2H3	C8H11BrN2O2S	279.154	4	1	57.79	1	3	0	-0.3544	2.18129	1.68	1.751	33.6341	56.0677	1.6537	193.125117757156
Cond-012060	NSC241624	241624	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2884571234776	c1(ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C	InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)	C17H20N2O3S	332.417	5	3	97.64	2	5	0	-0.0151000000000005	3.40428	2.67	4.878	37.7099	88.7621	2.5249	304.493293608951
Cond-012061	NSC241998	241998	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3330048143249	C1CC2CC1C1C2C(=O)N(C1=O)C(CCC(=O)N)C(=O)O	InChI=1S/C14H18N2O5/c15-9(17)4-3-8(14(20)21)16-12(18)10-6-1-2-7(5-6)11(10)13(16)19/h6-8,10-11H,1-5H2,(H2,15,17)(H,20,21)	C14H18N2O5	294.303	7	3	117.77	3	5	0	-2.3712	-0.02991	2.23	-0.682	64.4452	72.7592	2.0765	269.029686476473
Cond-012062	NSC242557	242557	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(c(cc(cc1C(C)(C)C)C=C(C#N)C#N)C(C)(C)C)O	InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3	C18H22N2O	282.38	3	1	67.81	1	3	1	2.9937	4.67185000000001	3.11	5.225	62.3139	87.585	2.4505	306.319800776095
Cond-012063	NSC242557	242557	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.9769502002938	c1(c(cc(cc1C(C)(C)C)C=C(C#N)C#N)C(C)(C)C)O	InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3	C18H22N2O	282.38	3	1	67.81	1	3	1	2.9937	4.67185000000001	3.11	5.225	62.3139	87.585	2.4505	306.319800776095
Cond-012064	NSC244387	244387	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9906323070005	O=C1CCC(O1)(C(CCCCCCCCCC)C(=O)O)C(=O)O	InChI=1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)	C17H28O6	328.401	6	2	100.9	1	12	1	-2.707	3.61229	2.67	4.345	69.2992	87.2886000000001	2.6185	335.063722740701
Cond-012065	NSC245091	245091	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.4419087622308	C1=CC2(C=C1)OC12CCC2(CC1)C=CC1(C2)OC1C1CCCCC1	InChI=1S/C22H28O2/c1-2-6-17(7-3-1)18-20(23-18)13-10-19(16-20)11-14-22(15-12-19)21(24-22)8-4-5-9-21/h4-5,8-10,13,17-18H,1-3,6-7,11-12,14-16H2	C22H28O2	324.457	2	0	25.06	6	1	0	0.118599999999998	4.63697000000001	3.66	4.107	90.9516	92.8540000000001	2.5452	324.600445563791
Cond-012066	NSC246415	246415	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.556685837328	c1ccc2c(c1)[nH]c(=S)c1n2ccc1	InChI=1S/C11H8N2S/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)	C11H8N2S	200.26	2	1	48.53	3	0	0	0.2775	2.6025	2.34	2.857	18.3304	61.5337	1.4378	164.626705752067
Cond-012067	NSC246999	246999	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.791304578484	Fc1ccc(cc1)c1nc(cc(c1)c1cccs1)c1ccccc1	InChI=1S/C21H14FNS/c22-18-10-8-16(9-11-18)20-14-17(21-7-4-12-24-21)13-19(23-20)15-5-2-1-3-6-15/h1-14H	C21H14FNS	331.406	1	0	41.13	4	3	1	1.0703	6.49468	3.44	7.977	8.666	104.208	2.4411	285.318598448074
Cond-012068	NSC24951	24951	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.282606587279	O=C1N2[C@@H]3[C@]4(CCN5(=O)CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)C1)c1ccccc21	InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1	C21H22N2O3	350.411	5	0	52.6	7	0	0	-1.1892	2.79227	3.22	1.05	66.8834	98.5944	2.468	309.558831952419
Cond-012069	NSC250429	250429	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	13.2475967483839	C1CC2(C3C(C1)(C1(C(CC3O)C)OC3(CC1)CCOC3=O)COC2=O)C	InChI=1S/C20H28O6/c1-12-10-13(21)14-17(2)4-3-5-18(14,11-25-15(17)22)20(12)7-6-19(26-20)8-9-24-16(19)23/h12-14,21H,3-11H2,1-2H3	C20H28O6	364.433	6	1	82.06	5	0	0	-1.17309999999999	2.20549	3	1.562	86.1629	93.2278	2.6498	340.162300515902
Cond-012070	NSC250429	250429	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1CC2(C3C(C1)(C1(C(CC3O)C)OC3(CC1)CCOC3=O)COC2=O)C	InChI=1S/C20H28O6/c1-12-10-13(21)14-17(2)4-3-5-18(14,11-25-15(17)22)20(12)7-6-19(26-20)8-9-24-16(19)23/h12-14,21H,3-11H2,1-2H3	C20H28O6	364.433	6	1	82.06	5	0	0	-1.17309999999999	2.20549	3	1.562	86.1629	93.2278	2.6498	340.162300515902
Cond-012071	NSC252172	252172	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.187843949599	c1ccc2c(c1)C(=O)/C(=C/c1ccc(cc1)OCC)/CC2	InChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11-13H,2,9-10H2,1H3	C19H18O2	278.345	2	0	26.3	3	3	1	0.331800000000001	4.08348	3.33	5.895	35.7849	86.641	2.2333	274.79957428459
Cond-012072	NSC252359	252359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	54.3000289758801	c1(cc(N2CCN(CC2)C)n2c(n1)nc(n2)c1ccc(cc1)Cl)C	InChI=1S/C17H19ClN6/c1-12-11-15(23-9-7-22(2)8-10-23)24-17(19-12)20-16(21-24)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3	C17H19ClN6	342.826	6	0	49.56	4	2	0	1.3721	3.5432	2.56	2.949	44.5876	98.851	2.4897	283.198780651168
Cond-012073	NSC25368	25368	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	94.3808301798045	C1CCC(C(C1OC(C)C)CC(=O)O)O	InChI=1S/C11H20O4/c1-7(2)15-10-5-3-4-9(12)8(10)6-11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)	C11H20O4	216.274	4	2	66.76	1	4	0	-2.0381	1.64959	2.23	0.904	49.4809	58.8526	1.7417	218.980278985978
Cond-012074	NSC25435	25435	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.39130427527074	O(c1ccccc1)P(=O)(c1ccccc1)Oc1ccccc1	InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H	C18H15O3P	310.284	3	0	45.34	3	5	1	-0.4386	4.88467	3	6.935	9.4239	88.2675	2.3127	272.584611066484
Cond-012075	NSC25435	25435	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(c1ccccc1)P(=O)(c1ccccc1)Oc1ccccc1	InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H	C18H15O3P	310.284	3	0	45.34	3	5	1	-0.4386	4.88467	3	6.935	9.4239	88.2675	2.3127	272.584611066484
Cond-012076	NSC25457	25457	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	83.2608680116794	o1c(nc(c1c1ccccc1)c1ccccc1)c1nccc2ccccc12	InChI=1S/C24H16N2O/c1-3-10-18(11-4-1)21-23(19-12-5-2-6-13-19)27-24(26-21)22-20-14-8-7-9-17(20)15-16-25-22/h1-16H	C24H16N2O	348.397	3	0	38.92	5	3	1	-0.1541	7.17938	3.77	9.089	1.6191	112.846	2.6465	303.887580224096
Cond-012077	NSC255025	255025	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5856371622497	O=S1(=O)CCN(CC1)Cc1ncccc1	InChI=1S/C10H14N2O2S/c13-15(14)7-5-12(6-8-15)9-10-3-1-2-4-11-10/h1-4H,5-9H2	C10H14N2O2S	226.295	4	0	58.65	2	2	0	-0.353999999999999	1.5132	2.01	0.867	35.1006	58.763	1.6519	196.077009330522
Cond-012078	NSC2561	2561	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8322942015048	O1CC(C(C(C1OCc1ccccc1)O)O)O	InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2	C12H16O5	240.252	5	3	79.15	2	3	0	-1.6849	-0.6973	2.23	1.544	33.7276	58.2354	1.7467	216.537114210006
Cond-012079	NSC25673	25673	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.627736454781	Clc1cc(Cl)c2nc(c3cccnc3)cc(c2c1)C(=O)OCC	InChI=1S/C17H12Cl2N2O2/c1-2-23-17(22)13-8-15(10-4-3-5-20-9-10)21-16-12(13)6-11(18)7-14(16)19/h3-9H,2H2,1H3	C17H12Cl2N2O2	347.195	4	0	52.08	3	4	0	1.7502	5.20228	2.67	3.943	27.5134	95.897	2.3529	279.086802289256
Cond-012080	NSC25678	25678	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.757590301159	n1c(c2ccc(cc2C)C)cc(c2c1cccc2)C(=O)O	InChI=1S/C18H15NO2/c1-11-7-8-13(12(2)9-11)17-10-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-10H,1-2H3,(H,20,21)	C18H15NO2	277.317	3	1	50.19	3	2	1	1.0442	4.07802	3.11	5.893	18.2235	86.3648000000001	2.1492	254.96389116609
Cond-012081	NSC25740	25740	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.942537365246	n1cc2ncn(c2nc1SC)C1OC(C(C1O)O)CO	InChI=1S/C11H14N4O4S/c1-20-11-12-2-5-9(14-11)15(4-13-5)10-8(18)7(17)6(3-16)19-10/h2,4,6-8,10,16-18H,3H2,1H3	C11H14N4O4S	298.318	8	3	138.82	3	3	0	-0.8363	0.0888799999999997	1.68	-0.492	43.7845	72.7244	1.9582	227.054050372245
Cond-012082	NSC260594	260594	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	17.8670084289766	n1(c2ccc(cc2/c(=N/c2ccc(cc2)C(=O)Nc2ccc(N=c3ccn(cc3)C)cc2)/cc1)N(=O)=O)C	InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)	C29H24N6O3	504.539	9	1	103.44	5	6	1	-0.4346	6.50522000000001	3.66	7.126	70.1827	157.1937	3.73860000000001	465.825621484819
Cond-012083	NSC260594	260594	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1(c2ccc(cc2/c(=N/c2ccc(cc2)C(=O)Nc2ccc(N=c3ccn(cc3)C)cc2)/cc1)N(=O)=O)C	InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)	C29H24N6O3	504.539	9	1	103.44	5	6	1	-0.4346	6.50522000000001	3.66	7.126	70.1827	157.1937	3.73860000000001	465.825621484819
Cond-012084	NSC261037	261037	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.956990920406	n1ccn(c1N(=O)=O)CC(O)COC	InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3	C7H11N3O4	201.18	7	1	90.42	1	5	0	0.134	0.62468	1.46	-0.353	29.4907	50.7878	1.3915	166.613703705411
Cond-012085	NSC26112	26112	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	ClC1=C(Cl)/C(=C/c2ccc(cc2)C)/C(=C1Cl)Cl	InChI=1S/C13H8Cl4/c1-7-2-4-8(5-3-7)6-9-10(14)12(16)13(17)11(9)15/h2-6H,1H3	C13H8Cl4	306.015	0	0	0	2	1	1	3.3246	5.15969	2.45	7.3	54.1026	73.921	1.9547	242.8168603124
Cond-012086	NSC26112	26112	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	12.7824586220255	ClC1=C(Cl)/C(=C/c2ccc(cc2)C)/C(=C1Cl)Cl	InChI=1S/C13H8Cl4/c1-7-2-4-8(5-3-7)6-9-10(14)12(16)13(17)11(9)15/h2-6H,1H3	C13H8Cl4	306.015	0	0	0	2	1	1	3.3246	5.15969	2.45	7.3	54.1026	73.921	1.9547	242.8168603124
Cond-012087	NSC26113	26113	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	54.4664002179378	C1(=C(/C(=C\C=C\c2ccccc2)/C(=C1Cl)Cl)Cl)Cl	InChI=1S/C14H8Cl4/c15-11-10(12(16)14(18)13(11)17)8-4-7-9-5-2-1-3-6-9/h1-8H	C14H8Cl4	318.025	0	0	0	2	2	1	3.1504	5.61406	2.56	7.671	58.9191	79.151	2.0526	257.476386237467
Cond-012088	NSC261610	261610	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.252955975242	C(=C)(C(=O)Nc1ccc(cc1)NC(C)C)C	InChI=1S/C13H18N2O/c1-9(2)13(16)15-12-7-5-11(6-8-12)14-10(3)4/h5-8,10,14H,1H2,2-4H3,(H,15,16)	C13H18N2O	218.295	3	2	41.13	1	5	0	0.1509	3.78167	2.56	2.758	40.366	71.8604	1.875	227.749253749161
Cond-012089	NSC263220	263220	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1266999868123	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)Cc1ccccc1)N	InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)	C14H14ClN3O4S2	387.862	7	4	135.12	3	3	0	-1.1613	2.85469	1.9	2.462	38.8281	86.4438	2.481	296.392418468112
Cond-012090	NSC26349	26349	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.065214548842	C12(C(C(C(C1)CC2)(C)C)OC(=O)c1ccccc1C(=O)O)C	InChI=1S/C18H22O4/c1-17(2)11-8-9-18(3,10-11)16(17)22-15(21)13-7-5-4-6-12(13)14(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,19,20)	C18H22O4	302.365	4	1	63.6	3	4	0	1.1382	3.72479	3	4.824	55.5308	84.8553000000001	2.3388	293.893419162245
Cond-012091	NSC265372	265372	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.961255245589	N#Cc1c(n(=O)c(c(n1)C)NCCN(CC)CC)N	InChI=1S/C12H20N6O/c1-4-17(5-2)7-6-15-12-9(3)16-10(8-13)11(14)18(12)19/h15H,4-7,14H2,1-3H3	C12H20N6O	264.327	7	3	103.43	1	6	0	0.0224000000000017	1.27181	2.01	0.244	53.1995	77.2691	2.1333	254.440309955962
Cond-012092	NSC26692	26692	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	85.4071853899594	O=C1NC(C(=N1)c1ccc(cc1)OC)c1ccc(cc1)OC	InChI=1S/C17H16N2O3/c1-21-13-7-3-11(4-8-13)15-16(19-17(20)18-15)12-5-9-14(22-2)10-6-12/h3-10,15H,1-2H3,(H,18,20)	C17H16N2O3	296.321	5	1	59.92	3	4	0	-1.1289	2.11198	2.78	2.885	31.8001	86.6887000000001	2.2098	270.991352149751
Cond-012093	NSC26744	26744	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	90.6454640423882	o1c(c2ccccc2)cc(=O)c2c1ccc(c2)O	InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H	C15H10O3	238.238	3	1	46.53	3	1	0	-0.9639	3.29487	2.78	4.126	19.1009	71.5048	1.7284	214.405862481684
Cond-012094	NSC268251	268251	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.560780650118	n1c(c2[nH]cnc2nc1)NC1OC(C(C(C1O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)C	InChI=1S/C29H49N7O5/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(37)30-16-22(38)35-23-20(3)41-29(26(40)25(23)39)36-28-24-27(32-17-31-24)33-18-34-28/h17-20,23,25-26,29,39-40H,4-16H2,1-3H3,(H,30,37)(H,35,38)(H2,31,32,33,34,36)	C29H49N7O5	575.743	12	6	174.38	3	20	4	-5.4217	3.92687000000001	3.33	6.201	107.8459	161.7967	4.603	556.380339503708
Cond-012095	NSC26980	26980	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	54.3083006653025	C1(=C(C(=O)C2=C(C1=O)N1[C@@]([C@@H]2COC(=O)N)([C@@H]2[C@H](C1)N2)OC)N)C	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1	C15H18N4O5	334.327	9	5	146.89	4	4	0	-1.8914	-2.20083	2.12	-1.386	80.8988	82.4245	2.2654	293.326274117073
Cond-012096	NSC269904	269904	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.902897571175	n1c(n(c(c1)CO)Cc1c(Cl)cccc1Cl)C(C)C	InChI=1S/C14H16Cl2N2O/c1-9(2)14-17-6-10(8-19)18(14)7-11-12(15)4-3-5-13(11)16/h3-6,9,19H,7-8H2,1-2H3	C14H16Cl2N2O	299.196	3	1	38.05	2	4	0	1.6376	4.19189	2.45	3.149	40.386	78.3738	2.1521	252.210915215095
Cond-012097	NSC269905	269905	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2458337484824	n1c(n(c(c1)CO)C)c1ccccc1	InChI=1S/C11H12N2O/c1-13-10(8-14)7-12-11(13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3	C11H12N2O	188.226	3	1	38.05	2	2	0	-0.3332	2.09868	2.34	2.512	15.8715	56.7768	1.4846	169.900825796628
Cond-012098	NSC270063	270063	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.3655998893139	c1ccc2c(c1)c(c(cc2Cl)C(=O)NC(C)(C)C(=O)O)O	InChI=1S/C15H14ClNO4/c1-15(2,14(20)21)17-13(19)10-7-11(16)8-5-3-4-6-9(8)12(10)18/h3-7,18H,1-2H3,(H,17,19)(H,20,21)	C15H14ClNO4	307.729	5	3	86.63	2	4	0	0.00350000000000006	3.02569	2.45	3.286	36.609	83.0468	2.1609	264.396834562445
Cond-012099	NSC270071	270071	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	6.11200427692317	c1ccc2c(c1)s/c(=N/NS(=O)(=O)c1cc(c(cc1)NC(=O)C)N)/n2C	InChI=1S/C16H17N5O3S2/c1-10(22)18-13-8-7-11(9-12(13)17)26(23,24)20-19-16-21(2)14-5-3-4-6-15(14)25-16/h3-9,20H,17H2,1-2H3,(H,18,22)	C16H17N5O3S2	391.468	8	4	150.57	3	5	0	-1.5766	3.89356	2.12	3.278	50.4195	103.2228	2.6953	323.703696263585
Cond-012100	NSC270071	270071	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)s/c(=N/NS(=O)(=O)c1cc(c(cc1)NC(=O)C)N)/n2C	InChI=1S/C16H17N5O3S2/c1-10(22)18-13-8-7-11(9-12(13)17)26(23,24)20-19-16-21(2)14-5-3-4-6-15(14)25-16/h3-9,20H,17H2,1-2H3,(H,18,22)	C16H17N5O3S2	391.468	8	4	150.57	3	5	0	-1.5766	3.89356	2.12	3.278	50.4195	103.2228	2.6953	323.703696263585
Cond-012101	NSC27032	27032	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.551657661336	[nH]1c(c2ccc(cc2)OC)cc2c1cccc2	InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3	C15H13NO	223.27	2	1	25.02	3	2	0	-0.4722	3.91079	2.89	4.355	10.6158	73.664	1.7538	199.558627989528
Cond-012102	NSC270916	270916	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	8.59470044718271	c1noc2c1CC1(C(=C2)CCC2C1CCC1(C2CCC1(C#C)O)C)C	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3	C22H27NO2	337.455	3	1	46.26	5	0	0	1.9109	4.11788000000001	3.55	4.472	81.6822	94.6458000000001	2.6676	331.780747071158
Cond-012103	NSC270916	270916	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1noc2c1CC1(C(=C2)CCC2C1CCC1(C2CCC1(C#C)O)C)C	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3	C22H27NO2	337.455	3	1	46.26	5	0	0	1.9109	4.11788000000001	3.55	4.472	81.6822	94.6458000000001	2.6676	331.780747071158
Cond-012104	NSC271923	271923	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	43.5320356242615	c1(c(cc2c(c1)CCC(N2)CNC(C)C)N(=O)=O)C.O=S(=O)(C)O	InChI=1S/C14H21N3O2.CH4O3S/c1-9(2)15-8-12-5-4-11-6-10(3)14(17(18)19)7-13(11)16-12;1-5(2,3)4/h6-7,9,12,15-16H,4-5,8H2,1-3H3;1H3,(H,2,3,4)	C15H25N3O5S	359.441	5	2	67.2	2	4	0	0.249099999999999	3.42321	2.45	2.884	47.0745	79.0984	2.1088	255.112225283756
Cond-012105	NSC272275	272275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3328997331975	c1ccc2c(c1)C(CN=C2C)C	InChI=1S/C11H13N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-6,8H,7H2,1-2H3	C11H13N	159.228	1	0	12.36	2	0	0	-0.1749	2.51039	2.56	3.273	25.0882	52.75	1.3691	163.6502975887
Cond-012106	NSC27305	27305	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.175892049471	n1c(=S)c2ncn(c2[nH]c1)C1OC(C2OC(OC12)(C)C)CO	InChI=1S/C13H16N4O4S/c1-13(2)20-8-6(3-18)19-12(9(8)21-13)17-5-16-7-10(17)14-4-15-11(7)22/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,22)	C13H16N4O4S	324.356	8	2	122.22	4	2	0	-1.2103	0.84388	1.9	-0.577	65.2847	83.2475	2.1314	260.189560923178
Cond-012107	NSC27389	27389	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.382225105665	c1c(c(ccc1C(=O)C(C)C)O)O	InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3	C10H12O3	180.2	3	2	57.53	1	2	0	-0.4501	1.90489	2.23	1.347	25.5618	51.9616	1.4131	174.08469155715
Cond-012108	NSC274905	274905	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	79.24230593766	c1ccc2c(c1)ccc(c2)c1c(ncnc1)N	InChI=1S/C14H11N3/c15-14-13(8-16-9-17-14)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H2,15,16,17)	C14H11N3	221.257	3	2	51.8	3	1	0	-0.7499	3.33259	2.67	4.834	4.2221	71.3114	1.7108	192.829478378634
Cond-012109	NSC275266	275266	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.203240477766	O=c1[nH]c(=O)c2c(c1)n(c1c(c2)cc(c(c1)C)C)CC(C(C(CO)O)O)O	InChI=1S/C19H22N2O6/c1-9-3-11-5-12-14(6-17(25)20-19(12)27)21(13(11)4-10(9)2)7-15(23)18(26)16(24)8-22/h3-6,15-16,18,22-24,26H,7-8H2,1-2H3,(H,20,25,27)	C19H22N2O6	374.388	8	5	130.33	3	5	0	-1.2438	-1.46129	2.67	0.505	74.8314	97.2949	2.7107	345.490460203968
Cond-012110	NSC275428	275428	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	104.681599617291	c12c(cc3c4c1OCn4c(=O)cc3C)c(cc(=O)n2C)CN(C)C.Cl	InChI=1S/C18H19N3O3.ClH/c1-10-5-15(23)21-9-24-18-16-13(7-12(10)17(18)21)11(8-19(2)3)6-14(22)20(16)4;/h5-7H,8-9H2,1-4H3;1H	C18H20ClN3O3	361.823	6	0	53.09	4	2	0	-0.1135	2.10336	2.78	0.337	68.9852	94.558	2.3849	300.464096983785
Cond-012111	NSC275971	275971	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.3344707676185	O(C(=O)Nc1ccc2c(c1)sc(n2)Sc1ccc(cc1)Cl)CC	InChI=1S/C16H13ClN2O2S2/c1-2-21-15(20)18-11-5-8-13-14(9-11)23-16(19-13)22-12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H,18,20)	C16H13ClN2O2S2	364.87	4	1	104.76	3	6	0	2.1942	5.16325	2.45	4.68	39.9859	92.1817	2.4596	286.234256708956
Cond-012112	NSC275971	275971	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(C(=O)Nc1ccc2c(c1)sc(n2)Sc1ccc(cc1)Cl)CC	InChI=1S/C16H13ClN2O2S2/c1-2-21-15(20)18-11-5-8-13-14(9-11)23-16(19-13)22-12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H,18,20)	C16H13ClN2O2S2	364.87	4	1	104.76	3	6	0	2.1942	5.16325	2.45	4.68	39.9859	92.1817	2.4596	286.234256708956
Cond-012113	NSC27626	27626	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	93.3453036866451	n1c(c2c(nc1)[nH]nc2)SCCC	InChI=1S/C8H10N4S/c1-2-3-13-8-6-4-11-12-7(6)9-5-10-8/h4-5H,2-3H2,1H3,(H,9,10,11,12)	C8H10N4S	194.257	4	1	79.76	2	3	0	-0.0548999999999997	1.77829	1.79	1.679	24.616	54.172	1.4093	152.3616483932
Cond-012114	NSC27628	27628	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	83.1166767920799	n1c(c2c(nc1)[nH]nc2)SCCCC	InChI=1S/C9H12N4S/c1-2-3-4-14-9-7-5-12-13-8(7)10-6-11-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)	C9H12N4S	208.283	4	1	79.76	2	4	0	-0.342899999999999	2.16839	1.9	2.248	27.5276	58.789	1.5502	169.657633019067
Cond-012115	NSC276369	276369	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.999219519756	c1c[nH]c(=O)c(c1)OC(=O)NCC	InChI=1S/C8H10N2O3/c1-2-9-8(12)13-6-4-3-5-10-7(6)11/h3-5H,2H2,1H3,(H,9,12)(H,10,11)	C8H10N2O3	182.177	5	2	67.43	1	4	0	-0.398300000000001	-0.28973	1.79	0.0600000000000001	45.4314	47.8374	1.3309	172.38624272175
Cond-012116	NSC276736	276736	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7444885921365	O(c1c(OC)cc2c(c1)c1cccc3c1n(c2=O)CC3)C	InChI=1S/C17H15NO3/c1-20-14-8-12-11-5-3-4-10-6-7-18(16(10)11)17(19)13(12)9-15(14)21-2/h3-5,8-9H,6-7H2,1-2H3	C17H15NO3	281.306	4	0	38.77	4	2	0	-0.4712	2.90389	2.89	2.625	31.2371	84.2680000000001	2.0444	250.274591941584
Cond-012117	NSC277184	277184	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.85464996704739	c1c(n(c(n1)/C=C/1\Cc2c(C1=O)cc(cc2)OCCN(C)C)C)N(=O)=O.S(=O)(=O)(O)O	InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-5-4-12-8-13(18(23)15(12)10-14)9-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)	C18H22N4O8S	454.454	8	0	90.5	3	6	0	1.3271	2.14097	2.56	1.41	56.8651	101.239	2.609	319.071083892513
Cond-012118	NSC277184	277184	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1c(n(c(n1)/C=C/1\Cc2c(C1=O)cc(cc2)OCCN(C)C)C)N(=O)=O.S(=O)(=O)(O)O	InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-5-4-12-8-13(18(23)15(12)10-14)9-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)	C18H22N4O8S	454.454	8	0	90.5	3	6	0	1.3271	2.14097	2.56	1.41	56.8651	101.239	2.609	319.071083892513
Cond-012119	NSC277806	277806	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.0931319053857	O=c1c(OC(=O)Nc2ccccc2)ccc[nH]1	InChI=1S/C12H10N2O3/c15-11-10(7-4-8-13-11)17-12(16)14-9-5-2-1-3-6-9/h1-8H,(H,13,15)(H,14,16)	C12H10N2O3	230.219	5	2	67.43	2	4	0	-0.751	1.81296	2.23	2.18	35.4409	64.4684	1.6569	210.404346422017
Cond-012120	NSC278323	278323	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3713485569369	O=S(=O)(C1C(=O)N(C(C(=O)N1C)S(=O)(=O)CC)C)CC	InChI=1S/C10H18N2O6S2/c1-5-19(15,16)9-7(13)12(4)10(8(14)11(9)3)20(17,18)6-2/h9-10H,5-6H2,1-4H3	C10H18N2O6S2	326.39	8	0	125.66	1	4	0	-0.934799999999998	0.83389	1.46	-1.536	69.9322	75.369	2.2018	275.639857591967
Cond-012121	NSC278741	278741	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.846898098433	c1cc(cc2n1c(nn2)C(C)O)C	InChI=1S/C9H11N3O/c1-6-3-4-12-8(5-6)10-11-9(12)7(2)13/h3-5,7,13H,1-2H3	C9H11N3O	177.203	4	1	50.42	2	1	0	0.1958	1.33461	2.01	1.747	20.2613	48.8308	1.3456	148.942075453861
Cond-012122	NSC279834	279834	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.451440013728	C1(=C(NC(=C(C1(C)C)C#N)C)C)C#N	InChI=1S/C11H13N3/c1-7-9(5-12)11(3,4)10(6-13)8(2)14-7/h14H,1-4H3	C11H13N3	187.241	3	1	59.61	1	0	0	1.093	2.12955	2.34	1.808	57.6393	54.5207	1.5913	203.627359304234
Cond-012123	NSC279895	279895	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.0142098509261	c1cc(cc(c1C(=O)C(=O)CCCCC)O)O	InChI=1S/C13H16O4/c1-2-3-4-5-11(15)13(17)10-7-6-9(14)8-12(10)16/h6-8,14,16H,2-5H2,1H3	C13H16O4	236.264	4	2	74.6	1	6	0	-2.2261	2.39829	2.45	2.412	35.0039	66.2726000000001	1.8515	232.126413434511
Cond-012124	NSC280058	280058	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4045002428559	O(c1c(c(OC(=O)C)c2c(c1C(=O)C)OC1C2(C(=C(C(=O)C1)C(=O)C)O)C)C)C(=O)C	InChI=1S/C22H22O9/c1-8-18(29-11(4)25)16(10(3)24)20-17(19(8)30-12(5)26)22(6)14(31-20)7-13(27)15(9(2)23)21(22)28/h14,28H,7H2,1-6H3	C22H22O9	430.405	9	1	133.27	3	6	0	-0.480400000000002	2.876	2.89	0.944	84.2139	109.7323	3.0239	396.482656365319
Cond-012125	NSC28011	28011	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.920980206497	N1[C@@H]2[C@H](NCC1)CC[C@@H](C2)C	InChI=1S/C9H18N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8+,9-/m0/s1	C9H18N2	154.253	2	2	24.06	2	0	0	-0.561800000000001	0.7364	2.23	1.032	43.1707	46.5964	1.3591	161.500923348334
Cond-012126	NSC280492	280492	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	46.267780591137	C1CCc2c(C1)c(c(s2)NC(=S)NC)C(=O)OCC	InChI=1S/C13H18N2O2S2/c1-3-17-12(16)10-8-6-4-5-7-9(8)19-11(10)15-13(18)14-2/h3-7H2,1-2H3,(H2,14,15,18)	C13H18N2O2S2	298.424	4	2	110.69	2	6	0	0.967900000000002	2.14578	2.23	3.001	62.8463	81.7714	2.1951	263.837528564923
Cond-012127	NSC2805	2805	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.4322821348373	c1c(c(cc(c1O)C)O)c1cc(c(cc1O)C)O	InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3	C14H14O4	246.259	4	4	80.92	2	1	0	-0.5572	3.50163	2.56	1.132	21.2626	74.4908	1.8408	223.529480658778
Cond-012128	NSC280594	280594	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.748631054503	n1n(c2ncnc3n(cc(c23)c1N)C1OC(C(C1O)O)COP(=O)(O)O)C	InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)	C13H17N6O7P	400.284	13	6	198.59	4	4	1	-1.8261	-1.69902	1.35	-2.838	57.8869	86.3356	2.5052	296.335532090796
Cond-012129	NSC28080	28080	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	69.6739127276491	O=C1C(CCc2c1cc(c1c2cccc1)OC)(C(=O)OC)CC	InChI=1S/C19H20O4/c1-4-19(18(21)23-3)10-9-13-12-7-5-6-8-14(12)16(22-2)11-15(13)17(19)20/h5-8,11H,4,9-10H2,1-3H3	C19H20O4	312.36	4	0	52.6	3	4	0	-0.2425	4.28138	3.11	4.517	47.352	93.1955	2.3937	295.016486386512
Cond-012130	NSC281307	281307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.6353327876658	n1nc2c(n1Cc1ccccc1)N=C(NC2)C(Cl)(Cl)Cl	InChI=1S/C12H10Cl3N5/c13-12(14,15)11-16-6-9-10(17-11)20(19-18-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)	C12H10Cl3N5	330.6	5	1	55.1	3	3	0	1.248	3.12019	1.9	3.675	41.96	81.4427	2.0818	242.037150256134
Cond-012131	NSC281383	281383	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	6.69412997960499	O(C(=O)Nc1ccc2c(c1)sc(n2)N1CCCCCC1)CC	InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)	C16H21N3O2S	319.422	5	1	82.7	3	5	0	-0.256299999999999	4.30596	2.56	3.301	50.5456	91.6357000000001	2.4025	282.32030119149
Cond-012132	NSC281383	281383	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(C(=O)Nc1ccc2c(c1)sc(n2)N1CCCCCC1)CC	InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)	C16H21N3O2S	319.422	5	1	82.7	3	5	0	-0.256299999999999	4.30596	2.56	3.301	50.5456	91.6357000000001	2.4025	282.32030119149
Cond-012133	NSC281623	281623	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.889428595653	O(c1ccc(cc1)c1scc(n1)c1ccc(cc1)N(=O)=O)CCC	InChI=1S/C18H16N2O3S/c1-2-11-23-16-9-5-14(6-10-16)18-19-17(12-24-18)13-3-7-15(8-4-13)20(21)22/h3-10,12H,2,11H2,1H3	C18H16N2O3S	340.396	5	0	93.5	3	6	1	0.871500000000001	6.09698	2.78	5.645	26.8251	101.218	2.4712	293.259902132418
Cond-012134	NSC281624	281624	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9010347134038	O(c1ccc(cc1)c1scc(n1)c1ccc(cc1)N)CCC	InChI=1S/C18H18N2OS/c1-2-11-21-16-9-5-14(6-10-16)18-20-17(12-22-18)13-3-7-15(19)8-4-13/h3-10,12H,2,11,19H2,1H3	C18H18N2OS	310.413	3	2	76.38	3	5	0	-0.538499999999999	4.80768	3	4.728	27.1572	92.5454	2.3968	278.315907432096
Cond-012135	NSC281639	281639	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.8388138165881	[nH]1[nH]c(=O)cc1CC(=O)NN	InChI=1S/C5H8N4O2/c6-7-4(10)1-3-2-5(11)9-8-3/h2H,1,6H2,(H,7,10)(H2,8,9,11)	C5H8N4O2	156.143	6	5	96.25	1	3	0	-2.3364	-1.95522	1.35	-1.093	37.5875	39.2815	1.0921	136.338041260722
Cond-012136	NSC281816	281816	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.44821142416555	S1c2ccccc2CC(N2CCN(CC2)C)c2c1ccc(c2)SC.C(=C\C(=O)O)\C(=O)O	InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28N2O4S2	472.62	2	0	57.08	4	2	0	1.4706	3.44299	3.22	4.652	59.8885	100.013	2.7608	326.443132741668
Cond-012137	NSC281816	281816	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	S1c2ccccc2CC(N2CCN(CC2)C)c2c1ccc(c2)SC.C(=C\C(=O)O)\C(=O)O	InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28N2O4S2	472.62	2	0	57.08	4	2	0	1.4706	3.44299	3.22	4.652	59.8885	100.013	2.7608	326.443132741668
Cond-012138	NSC282137	282137	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.548040978293	C1C(CC(=C(C1=O)CC(=O)c1ccccc1)NNC(=N)N)(C)C	InChI=1S/C17H22N4O2/c1-17(2)9-13(20-21-16(18)19)12(15(23)10-17)8-14(22)11-6-4-3-5-7-11/h3-7,20H,8-10H2,1-2H3,(H4,18,19,21)	C17H22N4O2	314.382	6	5	108.07	2	6	0	-0.2871	1.78485	2.67	3.937	61.0956	91.3745	2.5023	310.087563267124
Cond-012139	NSC282187	282187	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.404495375759	O=c1c(OC(=O)Nc2ccc(F)cc2)ccc[nH]1	InChI=1S/C12H9FN2O3/c13-8-3-5-9(6-4-8)15-12(17)18-10-2-1-7-14-11(10)16/h1-7H,(H,14,16)(H,15,17)	C12H9FN2O3	248.21	5	2	67.43	2	4	0	-0.2713	1.95206	2.12	1.928	36.3134	64.4264	1.6746	216.471905272323
Cond-012140	NSC28341	28341	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.9226451242684	n1(nnc2c1ccc(c2)N)c1ccccc1	InChI=1S/C12H10N4/c13-9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h1-8H,13H2	C12H10N4	210.235	4	2	56.21	3	1	0	-0.7367	2.83728	2.34	3.046	7.1201	65.8014	1.5718	171.870728035867
Cond-012141	NSC28377	28377	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9879780633207	O=c1n(c(c(c(=O)n1C)NC(=S)NCC=C)N)C	InChI=1S/C10H15N5O2S/c1-4-5-12-9(18)13-6-7(11)14(2)10(17)15(3)8(6)16/h4H,1,5,11H2,2-3H3,(H2,12,13,18)	C10H15N5O2S	269.323	7	4	122.79	1	5	0	-0.275700000000001	-0.62563	1.68	0.122	70.9796	73.7788	1.9739	247.050831254223
Cond-012142	NSC283845	283845	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.92643469269863	c1cc2ccc3c(c2cc1)oc(cc3=O)c1cccnc1	InChI=1S/C18H11NO2/c20-16-10-17(13-5-3-9-19-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H	C18H11NO2	273.285	3	0	39.19	4	1	0	-0.5036	4.13747	3.11	4.936	16.5363	85.141	1.9976	239.970973764489
Cond-012143	NSC283845	283845	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc2ccc3c(c2cc1)oc(cc3=O)c1cccnc1	InChI=1S/C18H11NO2/c20-16-10-17(13-5-3-9-19-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H	C18H11NO2	273.285	3	0	39.19	4	1	0	-0.5036	4.13747	3.11	4.936	16.5363	85.141	1.9976	239.970973764489
Cond-012144	NSC283849	283849	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.219003140708	n1c(c(C(=O)OCC)c(c(c1C)C(=O)OCC)c1cccnc1)C	InChI=1S/C18H20N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-8-7-9-19-10-13/h7-10H,5-6H2,1-4H3	C18H20N2O4	328.362	6	0	78.38	2	7	0	1.4022	3.02973	2.78	2.924	44.0294	91.8735	2.518	309.434022176979
Cond-012145	NSC283856	283856	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	90.1128004042008	C1(CC(=CC(=S)N1)Nc1ccc(cc1)OC)(C)C	InChI=1S/C14H18N2OS/c1-14(2)9-11(8-13(18)16-14)15-10-4-6-12(17-3)7-5-10/h4-8,15H,9H2,1-3H3,(H,16,18)	C14H18N2OS	262.371	3	2	65.38	2	3	0	0.362899999999998	3.51728	2.56	2.851	54.2528	80.9204	2.0708	251.197803731828
Cond-012146	NSC284234	284234	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.183895502284	c1ccc(c(=O)[nH]1)OC(=O)c1ccc(cc1)OC	InChI=1S/C13H11NO4/c1-17-10-6-4-9(5-7-10)13(16)18-11-3-2-8-14-12(11)15/h2-8H,1H3,(H,14,15)	C13H11NO4	245.231	5	1	64.63	2	4	0	-0.8099	1.20017	2.34	1.666	40.2556	66.2567	1.7567	225.493797540278
Cond-012147	NSC284701	284701	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.525211541513	C1C(N2C(=NCC2)C1(C)C)C	InChI=1S/C9H16N2/c1-7-6-9(2,3)8-10-4-5-11(7)8/h7H,4-6H2,1-3H3	C9H16N2	152.237	2	0	15.6	2	0	0	0.299900000000002	1.41659	2.23	1.585	45.7229	47.683	1.3161	158.864464647534
Cond-012148	NSC285669	285669	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6861192248048	O(C(=O)Nc1csc2c1NC(=O)CCCC2)C	InChI=1S/C11H14N2O3S/c1-16-11(15)12-7-6-17-8-4-2-3-5-9(14)13-10(7)8/h6H,2-5H2,1H3,(H,12,15)(H,13,14)	C11H14N2O3S	254.305	5	2	95.67	2	3	0	-0.311500000000001	2.24697	2.01	1.165	44.5487	66.1804	1.8085	219.52676195615
Cond-012149	NSC287065	287065	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.335348190135	c1(ccc2c(c1)nc([nH]2)N)N(=O)=O	InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)	C7H6N4O2	178.148	6	3	97.84	2	1	0	-0.5102	1.80267	1.57	1.045	11.4121	52.6574	1.1793	131.500634410056
Cond-012150	NSC287495	287495	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.151552472997	c1c[nH]c(c(c1=O)OC(=O)NC)C	InChI=1S/C8H10N2O3/c1-5-7(13-8(12)9-2)6(11)3-4-10-5/h3-4H,1-2H3,(H,9,12)(H,10,11)	C8H10N2O3	182.177	5	2	67.43	1	3	0	-0.8121	-0.28973	1.79	0.419	47.3272	47.8374	1.3309	172.38624272175
Cond-012151	NSC288024	288024	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3231944566841	c1(ccc(cc1)S(=O)(=O)NC(=O)Nc1nccs1)C	InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15)	C11H11N3O3S2	297.353	6	2	124.78	2	5	0	0.1797	2.39349	1.79	2.947	31.8798	70.3294	1.9858	232.859628820317
Cond-012152	NSC28837	28837	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.686118243015	N1(Cc2ccccc2CC1)CC	InChI=1S/C11H15N/c1-2-12-8-7-10-5-3-4-6-11(10)9-12/h3-6H,2,7-9H2,1H3	C11H15N	161.243	1	0	3.24	2	1	0	0.644699999999999	1.7251	2.56	3.231	26.7647	50.341	1.4121	166.2867562895
Cond-012153	NSC288387	288387	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7586553411312	O(C)CCn1c2ccccc2nc2c1nc(=O)n(c2=O)c1ccccc1	InChI=1S/C19H16N4O3/c1-26-12-11-22-15-10-6-5-9-14(15)20-16-17(22)21-19(25)23(18(16)24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3	C19H16N4O3	348.355	7	0	74.57	4	4	0	-1.4969	2.71126	2.78	3.986	44.226	104.426	2.4966	309.947465715418
Cond-012154	NSC288519	288519	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.7576970025849	c1ccn2c(n1)nc(nc2=O)Oc1ccccc1	InChI=1S/C12H8N4O2/c17-12-15-11(18-9-5-2-1-3-6-9)14-10-13-7-4-8-16(10)12/h1-8H	C12H8N4O2	240.218	6	0	66.62	3	2	0	-1.1105	1.52914	2.12	1.481	37.6284	73.897	1.6462	208.614722736189
Cond-012155	NSC288686	288686	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0330121924668	c1ccc2c(c1)c(Cl)cnc2C#N	InChI=1S/C10H5ClN2/c11-9-6-13-10(5-12)8-4-2-1-3-7(8)9/h1-4,6H	C10H5ClN2	188.613	2	0	36.68	2	0	0	0.779	2.82609	2.23	2.686	11.8142	52.986	1.3214	153.752764839034
Cond-012156	NSC289090	289090	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4214707034583	N#C/N=C/N1CC=C(CC1)c1ccc(cc1)Cl	InChI=1S/C13H12ClN3/c14-13-3-1-11(2-4-13)12-5-7-17(8-6-12)10-16-9-15/h1-5,10H,6-8H2	C13H12ClN3	245.707	3	0	39.39	2	2	0	0.8847	2.71967	2.45	3.126	45.2969	70.995	1.8439	227.5374789248
Cond-012157	NSC289359	289359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.402124640331	O(c1ccc2c(c1OC)cc(c1c2[nH]cc(c1=O)C#N)C(=O)OCC)C	InChI=1S/C19H16N2O5/c1-4-26-19(23)13-7-12-11(5-6-14(24-2)18(12)25-3)16-15(13)17(22)10(8-20)9-21-16/h5-7,9H,4H2,1-3H3,(H,21,22)	C19H16N2O5	352.341	7	1	97.65	3	5	0	-0.740300000000001	3.64187	2.78	1.604	54.0986	96.1487	2.523	317.890857401007
Cond-012158	NSC289365	289365	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1748253171084	c1cnc(c(c1)OC(=O)c1cc(Cl)ccc1)O	InChI=1S/C12H8ClNO3/c13-9-4-1-3-8(7-9)12(16)17-10-5-2-6-14-11(10)15/h1-7H,(H,14,15)	C12H8ClNO3	249.65	4	1	59.42	2	3	0	0.1929	3.12898	2.23	2.923	14.4719	67.3948	1.6795	203.718653984284
Cond-012159	NSC289748	289748	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	202.363918120424	c1(csc(n1=O)/N=N/c1ccc(cc1)N(C)C)C	InChI=1S/C12H14N4OS/c1-9-8-18-12(16(9)17)14-13-10-4-6-11(7-5-10)15(2)3/h4-8H,1-3H3	C12H14N4OS	262.331	5	0	81.66	2	3	0	1.2246	4.04361	2.12	3.641	29.2603	76.188	1.9456	225.062896195628
Cond-012160	NSC290307	290307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8097880283341	N1CCCc2c(C1=O)c(c(o2)N(=O)=O)C	InChI=1S/C9H10N2O4/c1-5-7-6(15-9(5)11(13)14)3-2-4-10-8(7)12/h2-4H2,1H3,(H,10,12)	C9H10N2O4	210.187	6	1	85.38	2	1	0	0.492400000000001	0.70001	1.79	0.801	30.5283	56.9807	1.4219	175.215995347378
Cond-012161	NSC290311	290311	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.7958395416603	C1CCN(C1)CC1(CCC(C(O1)(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C	InChI=1S/C27H36N2O2/c1-26(2)23(16-17-27(3,31-26)20-29-18-10-11-19-29)28-25(30)24(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,23-24H,10-11,16-20H2,1-3H3,(H,28,30)	C27H36N2O2	420.587	4	1	41.57	4	7	1	-0.795700000000001	4.96399000000001	3.99	8.113	68.1048	127.4507	3.4945	425.440971707858
Cond-012162	NSC29073	29073	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.195680191506	c1c(ccc(c1)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C	InChI=1S/C16H24N2O2/c1-15(2,3)13(19)17-11-7-9-12(10-8-11)18-14(20)16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)	C16H24N2O2	276.374	4	2	58.2	1	6	0	1.8428	4.48978	2.78	2.782	53.1366	86.0974000000001	2.3564	288.427434327323
Cond-012163	NSC29193	29193	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.099765278341	S=c1ncc2[nH]c(=S)[nH]c2[nH]1	InChI=1S/C5H4N4S2/c10-4-6-1-2-3(8-4)9-5(11)7-2/h1H,(H3,6,7,8,9,10,11)	C5H4N4S2	184.242	4	3	112.63	2	0	0	0.404	-0.58402	1.35	0.868	48.4051	50.6661	1.1501	140.7827185732
Cond-012164	NSC29200	29200	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.019393773395	Fc1ccc(cc1)Nc1nc(nc(c1N(=O)=O)C)Nc1ccc(F)cc1	InChI=1S/C17H13F2N5O2/c1-10-15(24(25)26)16(21-13-6-2-11(18)3-7-13)23-17(20-10)22-14-8-4-12(19)5-9-14/h2-9H,1H3,(H2,20,21,22,23)	C17H13F2N5O2	357.314	7	2	92.98	3	5	1	1.2182	6.25919	2.34	6.008	17.9675	96.4674	2.3999	291.153606372703
Cond-012165	NSC292140	292140	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.752537455441	c1cc(Cl)ccc1n1ncc2c1[nH]c(=O)n(c2=O)c1cc(ccc1)Cl	InChI=1S/C17H10Cl2N4O2/c18-10-4-6-12(7-5-10)23-15-14(9-20-23)16(24)22(17(25)21-15)13-3-1-2-11(19)8-13/h1-9H,(H,21,25)	C17H10Cl2N4O2	373.193	6	1	66.71	4	2	0	0.7506	5.52596	2.45	3.768	29.0133	100.8582	2.4009	286.08740530399
Cond-012166	NSC292253	292253	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	24.2895384184352	c12c3c(OC4[C@@]53C([C@H](C1)N(CC5)Cc1cocc1)(CCC4=O)O)c(cc2)O.CS(=O)(=O)O	InChI=1S/C21H21NO5.CH4O3S/c23-14-2-1-13-9-16-21(25)5-3-15(24)19-20(21,17(13)18(14)27-19)6-7-22(16)10-12-4-8-26-11-12;1-5(2,3)4/h1-2,4,8,11,16,19,23,25H,3,5-7,9-10H2;1H3,(H,2,3,4)/t16-,19?,20+,21?;/m0./s1	C22H25NO8S	463.501	6	2	83.14	6	2	0	-1.71	1.80299	3.11	0.494	55.9982	97.1056	2.5512	314.962525145374
Cond-012167	NSC292826	292826	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.5962901400768	Fc1cc(F)c2c(c1)c1c([nH]2)CCC(C1)N(C)C	InChI=1S/C14H16F2N2/c1-18(2)9-3-4-13-10(7-9)11-5-8(15)6-12(16)14(11)17-13/h5-6,9,17H,3-4,7H2,1-2H3	C14H16F2N2	250.287	2	1	19.03	3	1	0	0.7364	2.44938	2.56	2.674	34.9631	71.323	1.8184	215.41367067428
Cond-012168	NSC292923	292923	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.61677832915	C1Oc2c(O1)cc(c(c2)Br)C(=O)Nc1cccc2c1cccc2	InChI=1S/C18H12BrNO3/c19-14-9-17-16(22-10-23-17)8-13(14)18(21)20-15-7-3-5-11-4-1-2-6-12(11)15/h1-9H,10H2,(H,20,21)	C18H12BrNO3	370.197	4	1	47.56	4	3	1	-0.0487	5.65257	2.89	5.504	23.5127	97.4917	2.2743	270.681278143418
Cond-012169	NSC293334	293334	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4771068413266	c1c[nH]c(c1C(=O)OCC)CC(=O)NC	InChI=1S/C10H14N2O3/c1-3-15-10(14)7-4-5-12-8(7)6-9(13)11-2/h4-5,12H,3,6H2,1-2H3,(H,11,13)	C10H14N2O3	210.23	5	2	71.19	1	6	0	-0.6565	-0.03361	2.01	1.065	37.2696	57.9737	1.6127	196.078211973484
Cond-012170	NSC293360	293360	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.278102828121	O=C(c1c(c(c(c2c1OC1=CC(=O)/C(=C(/C)\N)/C(=O)C21C)O)C)O)C	InChI=1S/C18H17NO6/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,22-23H,19H2,1-4H3/b11-7+	C18H17NO6	343.331	7	4	126.92	3	1	0	-1.5127	2.25928	2.67	0.797	69.7874	93.8297	2.427	314.561256669134
Cond-012171	NSC293780	293780	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	6.25493299593435	c1ccc2c(c1)Oc1c(C=N2)ccc(c1)C	InChI=1S/C14H11NO/c1-10-6-7-11-9-15-12-4-2-3-5-13(12)16-14(11)8-10/h2-9H,1H3	C14H11NO	209.243	2	0	21.59	3	0	0	0.4537	3.9694	2.78	4.782	14.6722	66.728	1.6129	193.162643363661
Cond-012172	NSC293780	293780	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)Oc1c(C=N2)ccc(c1)C	InChI=1S/C14H11NO/c1-10-6-7-11-9-15-12-4-2-3-5-13(12)16-14(11)8-10/h2-9H,1H3	C14H11NO	209.243	2	0	21.59	3	0	0	0.4537	3.9694	2.78	4.782	14.6722	66.728	1.6129	193.162643363661
Cond-012173	NSC293962	293962	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.0665329393246	n1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C)N1CCN(CC1)CC=C	InChI=1S/C17H27N5O2S/c1-3-6-20-9-11-21(12-10-20)16-4-5-18-15-17(16)25(23,24)22-13-7-19(2)8-14-22/h3-5,15H,1,6-14H2,2H3	C17H27N5O2S	365.494	7	0	68.37	3	5	0	0.0172999999999993	0.765780000000002	2.45	-0.387	78.0893	94.769	2.786	335.146264934491
Cond-012174	NSC294150	294150	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.755765592398	c1cccc2n1c(c(N1CCN(CC1)CCO)n2)N(=O)=O	InChI=1S/C13H17N5O3/c19-10-9-15-5-7-16(8-6-15)12-13(18(20)21)17-4-2-1-3-11(17)14-12/h1-4,19H,5-10H2	C13H17N5O3	291.306	8	1	87.15	3	4	0	0.308999999999999	1.18288	2.01	0.662	43.4218	81.6088000000001	2.0746	242.707070373184
Cond-012175	NSC294153	294153	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.530162445413	c1cccc2n1c(c(n1c(nc(c1)N(=O)=O)C)n2)N(=O)=O	InChI=1S/C11H8N6O4/c1-7-12-9(16(18)19)6-15(7)10-11(17(20)21)14-5-3-2-4-8(14)13-10/h2-6H,1H3	C11H8N6O4	288.219	10	0	120.88	3	3	0	1.3979	2.93879	1.57	2.391	19.4747	77.95	1.8223	209.092711927778
Cond-012176	NSC294154	294154	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.838593137492	Clc1cn2c(c(nc2cc1)C)N(=O)=O	InChI=1S/C8H6ClN3O2/c1-5-8(12(13)14)11-4-6(9)2-3-7(11)10-5/h2-4H,1H3	C8H6ClN3O2	211.605	5	0	60.44	2	1	0	1.8571	2.80471	1.68	2.222	18.1361	54.786	1.3428	153.010926598189
Cond-012177	NSC294161	294161	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6483811658259	n1c(c2c([nH]1)c(nnc2C)Cc1ccccc1)C	InChI=1S/C14H14N4/c1-9-13-10(2)16-18-14(13)12(17-15-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,18)	C14H14N4	238.288	4	1	54.46	3	2	0	0.7798	2.70994	2.56	4.932	19.5196	71.544	1.8536	206.462697287601
Cond-012178	NSC294623	294623	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.761247995194	C(=O)(c1ccccc1)NC(=N)n1c(cc(n1)C)C	InChI=1S/C13H14N4O/c1-9-8-10(2)17(16-9)13(14)15-12(18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,18)	C13H14N4O	242.276	5	2	70.77	2	4	0	0.286	2.0402	2.34	3.952	27.6062	72.1754	1.88	221.213398063095
Cond-012179	NSC294625	294625	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.747914655891	c1(ccc(cc1)C(=O)NC(=N)n1nc(cc1C)C)N(=O)=O	InChI=1S/C13H13N5O3/c1-8-7-9(2)17(16-8)13(14)15-12(19)10-3-5-11(6-4-10)18(20)21/h3-7H,1-2H3,(H2,14,15,19)	C13H13N5O3	287.274	8	2	113.91	2	5	0	0.946100000000001	1.8074	2.01	3.206	31.4962	80.7034	2.0542	247.154152971584
Cond-012180	NSC29471	29471	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1161963172208	Clc1cc(ccc1)NC(=O)NC(C)C	InChI=1S/C10H13ClN2O/c1-7(2)12-10(14)13-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H2,12,13,14)	C10H13ClN2O	212.676	3	2	41.13	1	4	0	0.168800000000001	3.06798	2.12	2.661	30.7535	61.8394	1.6177	193.708826342795
Cond-012181	NSC294747	294747	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.26483678227	S(c1nc(c(s1)C(=O)NC1CCCCC1)N)C	InChI=1S/C11H17N3OS2/c1-16-11-14-9(12)8(17-11)10(15)13-7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H,13,15)	C11H17N3OS2	271.402	4	3	121.55	2	4	0	-1.5916	2.88328	2.01	2.229	50.9032	76.7091	1.9974	234.088551521595
Cond-012182	NSC294750	294750	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.578415856642	S(c1nc(c(s1)C(=O)Nc1ccc(cc1)N(=O)=O)N)C	InChI=1S/C11H10N4O3S2/c1-19-11-14-9(12)8(20-11)10(16)13-6-2-4-7(5-3-6)15(17)18/h2-5H,12H2,1H3,(H,13,16)	C11H10N4O3S2	310.352	7	3	164.69	2	5	0	0.5589	3.44037	1.68	2.62	36.8373	85.5361	2.0426	241.219930327684
Cond-012183	NSC294756	294756	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	85.0496232393786	S(c1nc(c(s1)C(=O)N1CCCCC1)N)Cc1ccccc1	InChI=1S/C16H19N3OS2/c17-14-13(15(20)19-9-5-2-6-10-19)22-16(18-14)21-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,17H2	C16H19N3OS2	333.472	4	2	112.76	3	5	0	-1.0327	3.67778	2.56	4.25	50.122	95.5904	2.4643	289.402639847729
Cond-012184	NSC295300	295300	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	33.9853835191874	c1ccc2c(c1)C(=O)N(c1c(C2)c(ncn1)NCc1ccccc1)C	InChI=1S/C20H18N4O/c1-24-19-17(11-15-9-5-6-10-16(15)20(24)25)18(22-13-23-19)21-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,22,23)	C20H18N4O	330.383	5	1	58.12	4	3	1	-0.4851	3.17069	3.11	5.397	25.7514	100.3337	2.5201	298.762996940163
Cond-012185	NSC295358	295358	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	17.9814461865723	FC(c1cc(nc(n1)NNc1nc(C(F)(F)F)cc(n1)C(C)C)C(C)C)(F)F	InChI=1S/C16H18F6N6/c1-7(2)9-5-11(15(17,18)19)25-13(23-9)27-28-14-24-10(8(3)4)6-12(26-14)16(20,21)22/h5-8H,1-4H3,(H,23,25,27)(H,24,26,28)	C16H18F6N6	408.345	6	2	75.62	2	7	1	2.5012	6.63807000000001	1.9	6.886	48.0048	92.8744000000001	2.5928	325.346457459107
Cond-012186	NSC295358	295358	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	FC(c1cc(nc(n1)NNc1nc(C(F)(F)F)cc(n1)C(C)C)C(C)C)(F)F	InChI=1S/C16H18F6N6/c1-7(2)9-5-11(15(17,18)19)25-13(23-9)27-28-14-24-10(8(3)4)6-12(26-14)16(20,21)22/h5-8H,1-4H3,(H,23,25,27)(H,24,26,28)	C16H18F6N6	408.345	6	2	75.62	2	7	1	2.5012	6.63807000000001	1.9	6.886	48.0048	92.8744000000001	2.5928	325.346457459107
Cond-012187	NSC295404	295404	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.365037288774	C1(Cn2c(S1)nc(=O)cc2)c1ccccc1	InChI=1S/C12H10N2OS/c15-11-6-7-14-8-10(16-12(14)13-11)9-4-2-1-3-5-9/h1-7,10H,8H2	C12H10N2OS	230.286	3	0	57.97	3	1	0	-0.336	1.90307	2.34	3.898	38.83	68.072	1.6374	201.612917078495
Cond-012188	NSC295486	295486	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.9928162333322	c1ccc2c(c1)nc1c(n2CC)cc2c(c1)c1ccccc1c(=O)c2Cl	InChI=1S/C22H15ClN2O/c1-2-25-19-10-6-5-9-17(19)24-18-11-15-13-7-3-4-8-14(13)22(26)21(23)16(15)12-20(18)25/h3-12H,2H2,1H3	C22H15ClN2O	358.82	3	0	32.67	5	1	1	0.6374	4.23408	3.44	5.72	38.6523	109.753	2.5731	311.579596144396
Cond-012189	NSC295701	295701	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3365073785827	c1(ccc2c(c1)sc1n2cnn1)C	InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3	C9H7N3S	189.237	3	0	58.43	3	0	0	1.2458	2.7824	2.01	2.627	16.1936	54.092	1.2988	132.7679554093
Cond-012190	NSC29620	29620	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.277173989468	O=C1NC(C(=O)N1)(CCCCCCC)C	InChI=1S/C11H20N2O2/c1-3-4-5-6-7-8-11(2)9(14)12-10(15)13-11/h3-8H2,1-2H3,(H2,12,13,14,15)	C11H20N2O2	212.289	4	2	58.2	1	6	0	-1.7297	1.54299	2.23	2.95	47.8281	61.3094	1.7809	220.756887300389
Cond-012191	NSC29629	29629	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.0943838723458	S1C(=S)N(CC1)CCO	InChI=1S/C5H9NOS2/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2	C5H9NOS2	163.261	2	1	80.86	1	2	0	0.9594	0.3124	1.57	0.438	44.6404	43.7148	1.147	136.848499452461
Cond-012192	NSC296934	296934	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.5747909199196	O1C(C1)Cn1c(=O)n(c(=O)n(c1=O)CC1CO1)CC1OC1	InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2	C12H15N3O6	297.264	9	0	98.52	4	6	0	-0.893100000000002	-0.939609999999999	1.79	-2.133	65.652	68.38	1.8876	244.504704133467
Cond-012193	NSC298197	298197	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.9601418044848	c1(cc(c(cc1)/N=N/c1nccs1)O)O	InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H	C9H7N3O2S	221.236	5	2	106.31	2	2	0	-0.33	3.23798	1.79	1.856	12.9227	59.2958	1.4818	170.968408810423
Cond-012194	NSC298197	298197	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(cc(c(cc1)/N=N/c1nccs1)O)O	InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H	C9H7N3O2S	221.236	5	2	106.31	2	2	0	-0.33	3.23798	1.79	1.856	12.9227	59.2958	1.4818	170.968408810423
Cond-012195	NSC29851	29851	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.7728230493335	s1c2CCCc2n(c1=O)C	InChI=1S/C7H9NOS/c1-8-5-3-2-4-6(5)10-7(8)9/h2-4H2,1H3	C7H9NOS	155.217	2	0	45.61	2	0	0	0.3739	1.53978	1.9	0.234	41.722	37.009	1.1137	137.938527244995
Cond-012196	NSC29874	29874	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.249422116033	C1(CCCC(C1)C)(CNC(=O)C)O	InChI=1S/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)	C10H19NO2	185.263	3	2	49.33	1	3	0	-0.9395	1.29759	2.23	1.331	47.6616	54.5085	1.5832	195.100601167156
Cond-012197	NSC298793	298793	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2734822955504	C(=N(\O)/CC1(CCCCC1)O)\c1ccccc1	InChI=1S/C14H19NO2/c16-14(9-5-2-6-10-14)12-15(17)11-13-7-3-1-4-8-13/h1,3-4,7-8,11,16H,2,5-6,9-10,12H2/b15-11-	C14H19NO2	233.306	3	1	48.98	2	3	0	-1.503	2.88199	2.67	3.741	33.3253	70.1808	1.9092	233.118704867423
Cond-012198	NSC298892	298892	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	113.116365725231	C1(=C(C(c2ccc(cc2)N(=O)=O)c2c(O1)n(nc2C)c1ccccc1)C#N)N	InChI=1S/C20H15N5O3/c1-12-17-18(13-7-9-15(10-8-13)25(26)27)16(11-21)19(22)28-20(17)24(23-12)14-5-3-2-4-6-14/h2-10,18H,22H2,1H3	C20H15N5O3	373.365	8	2	119.48	4	3	0	0.591	4.30619	2.78	4.985	35.3471	106.9094	2.6513	322.067293147852
Cond-012199	NSC299119	299119	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.44438957232	O=C1CS/C(=N/N=C\2/SC(C(=O)N2CC(=C)C)C)/N1C	InChI=1S/C12H16N4O2S2/c1-7(2)5-16-10(18)8(3)20-12(16)14-13-11-15(4)9(17)6-19-11/h8H,1,5-6H2,2-4H3/b13-11+,14-12+	C12H16N4O2S2	312.411	6	0	115.94	2	3	0	1.978	1.41637	1.9	0.929	81.491	87.466	2.2108	276.798605654589
Cond-012200	NSC299514	299514	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	48.4747427334073	O(C(=O)Nc1ccc2c(c1)nc([nH]2)c1ncsc1)CC	InChI=1S/C13H12N4O2S/c1-2-19-13(18)15-8-3-4-9-10(5-8)17-12(16-9)11-6-20-7-14-11/h3-7H,2H2,1H3,(H,15,18)(H,16,17)	C13H12N4O2S	288.325	6	2	108.14	3	5	0	0.4389	3.82976	2.12	2.229	29.8768	84.3417	1.9936	225.256190120456
Cond-012201	NSC299967	299967	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.600301591519	c1(nc2n(n1)c(cs2)CC(=O)OCC)c1ccccc1	InChI=1S/C14H13N3O2S/c1-2-19-12(18)8-11-9-20-14-15-13(16-17(11)14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3	C14H13N3O2S	287.337	5	0	84.73	3	5	0	0.9002	2.70847	2.34	3.864	31.5229	78.357	2.0347	231.555414538156
Cond-012202	NSC299968	299968	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	68.0922015374082	N1=c2n(C(N1)(C)C)c(cs2)/C(=N/O)/C(=O)OCC	InChI=1S/C10H14N4O3S/c1-4-17-8(15)7(12-16)6-5-18-9-11-13-10(2,3)14(6)9/h5,13,16H,4H2,1-3H3/b12-7-	C10H14N4O3S	270.308	7	2	111.82	2	4	0	-0.125700000000001	1.04028	1.68	3.061	67.9423	70.9902	1.8672	235.124297746617
Cond-012203	NSC3001	3001	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.5581772764193	C1(CCCC(C1)C)(CC(=O)O)CC(=O)O	InChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)	C11H18O4	214.258	4	2	74.6	1	4	0	-0.2952	2.36619	2.23	2.637	51.6762	57.8136	1.6987	216.343820285178
Cond-012204	NSC300289	300289	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.49072981062663	c1ccc2c3c1c(=O)n(c(=O)c3cc(c2)N(=O)=O)CCN1CCCC1	InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	C18H17N3O4	339.345	7	0	83.76	4	4	0	-0.6146	2.26719	2.67	2.852	43.843	96.5385000000001	2.4006	295.717864983546
Cond-012205	NSC300289	300289	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c3c1c(=O)n(c(=O)c3cc(c2)N(=O)=O)CCN1CCCC1	InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	C18H17N3O4	339.345	7	0	83.76	4	4	0	-0.6146	2.26719	2.67	2.852	43.843	96.5385000000001	2.4006	295.717864983546
Cond-012206	NSC30041	30041	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.244830760492	c1(c(cncc1)C(=O)N)C	InChI=1S/C7H8N2O/c1-5-2-3-9-4-6(5)7(8)10/h2-4H,1H3,(H2,8,10)	C7H8N2O	136.151	3	2	55.98	1	1	0	0.0072000000000001	0.23162	1.9	0.232	12.9436	39.6824	1.0726	126.609804694761
Cond-012207	NSC300540	300540	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	74.6529656187507	c1(cc(c(c(c1)C1c2cccn2c2c(cccc2)N1)O)Cl)Cl	InChI=1S/C17H12Cl2N2O/c18-10-8-11(17(22)12(19)9-10)16-15-6-3-7-21(15)14-5-2-1-4-13(14)20-16/h1-9,16,20,22H	C17H12Cl2N2O	331.196	3	2	36.67	4	1	0	0.5707	6.15629	2.78	4.158	23.3917	92.3337	2.2286	260.576575588695
Cond-012208	NSC301167	301167	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.4703264354605	c1(cc(c(Cl)nn1)Sc1ccccc1N)Cl	InChI=1S/C10H7Cl2N3S/c11-9-5-8(10(12)15-14-9)16-7-4-2-1-3-6(7)13/h1-5H,13H2	C10H7Cl2N3S	272.154	3	2	77.1	2	2	0	0.9081	2.94989	1.9	3.085	24.22	62.6814	1.7501	201.106075576034
Cond-012209	NSC301168	301168	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.341751372183	c1c(nnc2c1Sc1ccccc1N2)Cl	InChI=1S/C10H6ClN3S/c11-9-5-8-10(14-13-9)12-6-3-1-2-4-7(6)15-8/h1-5H,(H,12,14)	C10H6ClN3S	235.693	3	1	63.11	3	0	0	0.7039	4.34348	2.01	3.03	17.1957	62.1737	1.5191	173.5385491048
Cond-012210	NSC30205	30205	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.55335979660445	n1c2c(c(c3ccccc13)Nc1ccc(cc1)OCC)cccc2	InChI=1S/C21H18N2O/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,2H2,1H3,(H,22,23)	C21H18N2O	314.38	3	1	34.15	4	4	1	-0.2218	6.53558	3.44	6.327	14.9096	101.4267	2.4614	283.165461149696
Cond-012211	NSC30205	30205	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2c(c(c3ccccc13)Nc1ccc(cc1)OCC)cccc2	InChI=1S/C21H18N2O/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,2H2,1H3,(H,22,23)	C21H18N2O	314.38	3	1	34.15	4	4	1	-0.2218	6.53558	3.44	6.327	14.9096	101.4267	2.4614	283.165461149696
Cond-012212	NSC302584	302584	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	6.10102991897939	c1ccnc(Sc2ccc(cc2N(=O)=O)N(=O)=O)n1	InChI=1S/C10H6N4O4S/c15-13(16)7-2-3-9(8(6-7)14(17)18)19-10-11-4-1-5-12-10/h1-6H	C10H6N4O4S	278.244	8	0	137.36	2	4	0	1.9108	2.15718	1.57	2.882	15.5735	66.414	1.7539	211.568689643978
Cond-012213	NSC302584	302584	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccnc(Sc2ccc(cc2N(=O)=O)N(=O)=O)n1	InChI=1S/C10H6N4O4S/c15-13(16)7-2-3-9(8(6-7)14(17)18)19-10-11-4-1-5-12-10/h1-6H	C10H6N4O4S	278.244	8	0	137.36	2	4	0	1.9108	2.15718	1.57	2.882	15.5735	66.414	1.7539	211.568689643978
Cond-012214	NSC30260	30260	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.221345184946	s1c2ccc(cc2nc1NS(=O)(=O)c1ccc(cc1)N)OCC	InChI=1S/C15H15N3O3S2/c1-2-21-11-5-8-14-13(9-11)17-15(22-14)18-23(19,20)12-6-3-10(16)4-7-12/h3-9H,2,16H2,1H3,(H,17,18)	C15H15N3O3S2	349.428	6	3	130.93	3	5	0	-0.8972	4.59717	2.23	2.395	34.7668	89.4321	2.3978	276.150649922184
Cond-012215	NSC302867	302867	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.374205666021	c1cc(ccc1OC)/N=C\1/C(=C(NC1=N)N)C(=O)OCC	InChI=1S/C14H16N4O3/c1-3-21-14(19)10-11(13(16)18-12(10)15)17-8-4-6-9(20-2)7-5-8/h4-7H,3H2,1-2H3,(H4,15,16,17,18)	C14H16N4O3	288.302	7	4	109.79	2	5	0	-0.8408	1.13934	2.23	3.351	50.2611	82.5858	2.1383	266.989836090084
Cond-012216	NSC303244	303244	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.579644041965	c1(c2c(C(NC=N2)C)cc(c1C)C)C#N	InChI=1S/C12H13N3/c1-7-4-10-9(3)14-6-15-12(10)11(5-13)8(7)2/h4,6,9H,1-3H3,(H,14,15)	C12H13N3	199.252	3	1	48.18	2	0	0	0.7741	1.28993	2.45	2.589	36.5504	59.4027	1.6236	197.6668852293
Cond-012217	NSC303294	303294	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.138048670577	C1(=O)C(CC(=O)N1)SC(=S)C1C(=O)N(N=C1C)c1ccccc1	InChI=1S/C15H13N3O3S2/c1-8-12(15(22)23-10-7-11(19)16-13(10)20)14(21)18(17-8)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,16,19,20)	C15H13N3O3S2	347.412	6	1	136.23	3	4	0	-0.389600000000001	2.15967	2.23	1.1	64.0715	96.7527	2.3548	295.314191221384
Cond-012218	NSC303304	303304	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.39480146342317	c1cncn1C(C#C)(c1ccccc1)c1ccccc1	InChI=1S/C18H14N2/c1-2-18(20-14-13-19-15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-15H	C18H14N2	258.317	2	0	17.82	3	3	1	0.4932	3.38229	3.22	6.004	12.9652	78.918	2.0886	245.743739272334
Cond-012219	NSC303603	303603	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	62.1436867820228	c1cc(oc1/C=N(/O)\CCO)N(=O)=O	InChI=1S/C7H8N2O5/c10-4-3-8(11)5-6-1-2-7(14-6)9(12)13/h1-2,5,10H,3-4H2	C7H8N2O5	200.149	7	1	105.26	1	4	0	-0.3477	0.46538	1.46	-0.469	23.6052	52.1888	1.3074	161.770711497006
Cond-012220	NSC303612	303612	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.60998188636593	c1ccc2c(c1)Sc1c(N2CC2CN3CCC2CC3)cccc1	InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2	C20H22N2S	322.467	2	0	31.78	3	2	0	-0.5248	5.15819	3.33	4.763	43.8671	97.0910000000001	2.4887	295.577649983268
Cond-012221	NSC303612	303612	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)Sc1c(N2CC2CN3CCC2CC3)cccc1	InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2	C20H22N2S	322.467	2	0	31.78	3	2	0	-0.5248	5.15819	3.33	4.763	43.8671	97.0910000000001	2.4887	295.577649983268
Cond-012222	NSC303800	303800	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4260218202349	c1(cc(no1)OC)CCC(=O)O	InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)	C7H9NO4	171.151	5	1	72.56	1	4	0	-0.155300000000001	1.33948	1.68	0.601	25.1552	43.2958	1.1919	144.620183289078
Cond-012223	NSC304902	304902	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	49.2776982844195	c1c(cnc2c1c(c(cc2N)C)C)C	InChI=1S/C12H14N2/c1-7-4-10-9(3)8(2)5-11(13)12(10)14-6-7/h4-6H,13H2,1-3H3	C12H14N2	186.253	2	2	38.91	2	0	0	1.1761	2.30625	2.56	2.545	20.7284	58.1164	1.5668	178.406583721934
Cond-012224	NSC3053	3053	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(c2c(c1C)oc1c(c(=O)c(N)c(c1n2)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C)C)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(C(=O)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O)C)C)C	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-012225	NSC305329	305329	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.0833741058865	c1cccc2c1nc(/N=C\1/c3ccccc3C(=O)N1)[nH]2	InChI=1S/C15H10N4O/c20-14-10-6-2-1-5-9(10)13(18-14)19-15-16-11-7-3-4-8-12(11)17-15/h1-8H,(H2,16,17,18,19,20)	C15H10N4O	262.266	5	2	70.14	4	1	0	-1.0205	2.17397	2.56	3.53	16.9401	81.5087	1.8586	214.919532511628
Cond-012226	NSC305329	305329	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cccc2c1nc(/N=C\1/c3ccccc3C(=O)N1)[nH]2	InChI=1S/C15H10N4O/c20-14-10-6-2-1-5-9(10)13(18-14)19-15-16-11-7-3-4-8-12(11)17-15/h1-8H,(H2,16,17,18,19,20)	C15H10N4O	262.266	5	2	70.14	4	1	0	-1.0205	2.17397	2.56	3.53	16.9401	81.5087	1.8586	214.919532511628
Cond-012227	NSC305743	305743	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	12.7219232884599	c1cc(c2noc(c3ccccc3Cl)n2)ccn1	InChI=1S/C13H8ClN3O/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H	C13H8ClN3O	257.675	4	0	51.81	3	2	0	0.5902	3.88008	2.34	3.786	7.2347	72.947	1.751	199.534788223762
Cond-012228	NSC305743	305743	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(c2noc(c3ccccc3Cl)n2)ccn1	InChI=1S/C13H8ClN3O/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H	C13H8ClN3O	257.675	4	0	51.81	3	2	0	0.5902	3.88008	2.34	3.786	7.2347	72.947	1.751	199.534788223762
Cond-012229	NSC305780	305780	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(ccc2c1cccc2)Sc1cc2c(nc(nc2cc1)N)N.*.CCO		C20H20N4OS	364.464	4	4	103.12	4	2	1	-0.9092	4.34207	2.89	5.127	16.2377	94.1678	2.3431	262.989825045468
Cond-012230	NSC305780	305780	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	11.7847908660053	c1c(ccc2c1cccc2)Sc1cc2c(nc(nc2cc1)N)N.*.CCO		C20H20N4OS	364.464	4	4	103.12	4	2	1	-0.9092	4.34207	2.89	5.127	16.2377	94.1678	2.3431	262.989825045468
Cond-012231	NSC305798	305798	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	123.116647239307	c1(cc(nc(c1)c1ccc(cc1)C(F)(F)F)C(F)(F)F)C(C1CCCCN1)O	InChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2	C19H18F6N2O	404.349	3	2	45.15	3	5	1	0.3623	4.39199	2.56	5.894	38.9766	89.8695000000001	2.5664	329.681138503801
Cond-012232	NSC30622	30622	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	103.226732101656	C(=C\1/CC(=C)[C@](C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)(O)C)\C	InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1	C18H23NO5	333.379	6	1	76.07	3	0	0	1.1233	1.12536	2.78	0.841	87.3831	89.4708	2.4973	324.580406070974
Cond-012233	NSC30625	30625	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	46.9175606268633	[C@@H](C(O)(C(=O)OCC1=CCN2[C@H]1[C@@H](OC(=O)/C(=C\C)/C)CC2)C(O)(C)C)(C)OC	InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21?/m0/s1	C21H33NO7	411.489	8	2	105.53	2	10	0	0.440600000000001	1.04507	2.89	0.514	106.5696	108.7526	3.189	409.041730751297
Cond-012234	NSC3064	3064	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.901189376356	n1(c2cc(c(cc2nc2c1nc(=O)[nH]c2=O)C)C)CCOC(=O)C	InChI=1S/C16H16N4O4/c1-8-6-11-12(7-9(8)2)20(4-5-24-10(3)21)14-13(17-11)15(22)19-16(23)18-14/h6-7H,4-5H2,1-3H3,(H,19,22,23)	C16H16N4O4	328.323	8	1	100.43	3	4	0	-0.242300000000001	0.23991	2.34	2.168	59.6305	90.2537	2.3272	295.379114640779
Cond-012235	NSC30663	30663	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.892353616447	O=C1C2(CCC(C2(C)C)/C/1=N\c1ccc(/N=C\2/C(=O)C3(C(C2CC3)(C)C)C)cc1)C	InChI=1S/C26H32N2O2/c1-23(2)17-11-13-25(23,5)21(29)19(17)27-15-7-9-16(10-8-15)28-20-18-12-14-26(6,22(20)30)24(18,3)4/h7-10,17-18H,11-14H2,1-6H3	C26H32N2O2	404.544	4	0	58.86	5	2	1	1.9806	5.91127000000001	3.88	5.032	93.2704	124.743	3.245	406.688528381192
Cond-012236	NSC306752	306752	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.0845173069437	c1cc(cc(c1)Cl)NC(=O)Nn1cnnc1	InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(4-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)	C9H8ClN5O	237.646	6	2	71.84	2	4	0	0.1298	1.90518	1.68	1.625	18.4562	62.9504	1.5816	180.873746239028
Cond-012237	NSC3076	3076	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.031446035345	N1=C(NC(N=C1N)c1ccccc1)Nc1ccccc1	InChI=1S/C15H15N5/c16-14-18-13(11-7-3-1-4-8-11)19-15(20-14)17-12-9-5-2-6-10-12/h1-10,13H,(H4,16,17,18,19,20)	C15H15N5	265.313	5	4	74.8	3	3	0	-1.4968	2.22788	2.56	4.644	22.9084	81.7208	2.0513	243.018983420834
Cond-012238	NSC307703	307703	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8823029917849	c1ccc2c(c1)c(=O)n(cn2)c1ccc(cc1)Cl	InChI=1S/C14H9ClN2O/c15-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)14(17)18/h1-9H	C14H9ClN2O	256.687	3	0	32.67	3	1	0	0.0752999999999999	4.05337	2.56	4.151	20.6081	77.116	1.7921	216.734012641462
Cond-012239	NSC30813	30813	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	39.9578885065622	n1nn(c(n1)c1c2c(cccc2)ccc1)c1ccccc1	InChI=1S/C17H12N4/c1-2-9-14(10-3-1)21-17(18-19-20-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H	C17H12N4	272.304	4	0	43.08	4	2	1	0.0132	4.36548	2.89	7.166	2.898	85.504	2.0387	227.184816362001
Cond-012240	NSC308814	308814	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	40.9612569995265	c1cc(cnc1)C=C1c2ccccc2C(=O)c2c1cccc2	InChI=1S/C20H13NO/c22-20-17-9-3-1-7-15(17)19(12-14-6-5-11-21-13-14)16-8-2-4-10-18(16)20/h1-13H	C20H13NO	283.323	2	0	29.96	4	1	1	0.00839999999999995	3.89168	3.44	6.556	14.4445	88.694	2.1777	263.136257614862
Cond-012241	NSC308835	308835	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.971558381742	c1(c(cc(cc1)c1cc(c(cc1)N1C(=O)C2(CC1=O)CCCC2)C)C)N1C(=O)CC2(C1=O)CCCC2	InChI=1S/C30H32N2O4/c1-19-15-21(7-9-23(19)31-25(33)17-29(27(31)35)11-3-4-12-29)22-8-10-24(20(2)16-22)32-26(34)18-30(28(32)36)13-5-6-14-30/h7-10,15-16H,3-6,11-14,17-18H2,1-2H3	C30H32N2O4	484.586	6	0	74.76	6	3	1	-1.805	6.50293000000001	4.1	5.406	81.2176	140.687	3.6884	462.287085482581
Cond-012242	NSC308848	308848	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.2947604784212	c1ccc2c3c1c(=O)n(c(=O)c3cc(c2)N)CCN(CC)CC	InChI=1S/C18H21N3O2/c1-3-20(4-2)8-9-21-17(22)14-7-5-6-12-10-13(19)11-15(16(12)14)18(21)23/h5-7,10-11H,3-4,8-9,19H2,1-2H3	C18H21N3O2	311.378	5	2	66.64	3	5	0	-0.7664	2.32819	2.89	2.275	48.9085	94.5369	2.4348	293.130328984024
Cond-012243	NSC308849	308849	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	97.6194319243899	c1ccc2c3c1c(=O)n(c(=O)c3cc(c2)N)CCN1CCCC1	InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2	C18H19N3O2	309.362	5	2	66.64	4	3	0	-2.0246	2.08219	2.89	1.935	44.1751	92.4229	2.3262	280.773870283223
Cond-012244	NSC30930	30930	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4072548200798	[nH]1c2ccc(cc2cc1C(=O)O)OCc1ccccc1	InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)	C16H13NO3	267.279	4	2	62.32	3	4	0	-0.8027	2.59209	2.78	4.328	16.8506	78.7298000000001	1.9691	231.798607315717
Cond-012245	NSC309401	309401	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	104.573340952883	c1cc2c(ccc3c2c(nc(n3)N)N)n1Cc1ccc(cc1)N.Cl	InChI=1S/C17H16N6.ClH/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13;/h1-8H,9,18H2,(H4,19,20,21,22);1H	C17H17ClN6	340.81	6	6	108.77	4	2	0	-2.2249	3.46208	2.67	1.748	20.2765	96.1832	2.2813	251.814795479134
Cond-012246	NSC309874	309874	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	100.595432717115	c1ccc2c(c1)CCN(C2Cc1c(cccc1)NC(=O)c1c(Cl)c2c(s1)cccc2)C	InChI=1S/C26H23ClN2OS/c1-29-15-14-17-8-2-4-10-19(17)22(29)16-18-9-3-6-12-21(18)28-26(30)25-24(27)20-11-5-7-13-23(20)31-25/h2-13,22H,14-16H2,1H3,(H,28,30)	C26H23ClN2OS	446.992	3	1	60.58	5	5	1	1.0948	6.80608000000001	3.77	7.71	46.8726	132.9377	3.3002	388.372558705463
Cond-012247	NSC309892	309892	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.997429557037	c1c(ccc2c1cc(C(=O)c1c(c(c(s1)Nc1cc(ccc1)C)C#N)N)o2)Cl	InChI=1S/C21H14ClN3O2S/c1-11-3-2-4-14(7-11)25-21-15(10-23)18(24)20(28-21)19(26)17-9-12-8-13(22)5-6-16(12)27-17/h2-9,25H,24H2,1H3	C21H14ClN3O2S	407.873	5	3	120.29	4	4	0	0.4234	5.65418	3	4.83	39.597	111.9436	2.8198	331.399622484857
Cond-012248	NSC309971	309971	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.030039084833	c1(ccccc1S(=O)(=O)N(C)C)N=C=S	InChI=1S/C9H10N2O2S2/c1-11(2)15(12,13)9-6-4-3-5-8(9)10-7-14/h3-6H,1-2H3	C9H10N2O2S2	242.318	4	0	90.21	1	3	0	-0.4676	1.72319	1.79	2.666	37.9674	60.276	1.6971	204.373590061456
Cond-012249	NSC310113	310113	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.356063286278	C1CCc2c(C1)sc1c2c(=O)[nH]c(n1)C(=O)OCC	InChI=1S/C13H14N2O3S/c1-2-18-13(17)10-14-11(16)9-7-5-3-4-6-8(7)19-12(9)15-10/h2-6H2,1H3,(H,14,15,16)	C13H14N2O3S	278.327	5	1	96	3	3	0	-0.00589999999999968	2.09498	2.23	1.876	52.8562	76.2132	1.9387	239.125813806284
Cond-012250	NSC310325	310325	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.829823580771	c1c(c(c(cc1)C)/N=C/1\N(C2(C(=C)S1)CCCCC2)C(=O)c1c(c2c(cccc2)s1)Cl)Cl	InChI=1S/C25H22Cl2N2OS2/c1-15-9-8-11-18(26)21(15)28-24-29(25(16(2)31-24)13-6-3-7-14-25)23(30)22-20(27)17-10-4-5-12-19(17)32-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3	C25H22Cl2N2OS2	501.491	3	0	86.21	5	3	1	2.8531	8.1764	3.44	7.182	75.3778	141.571	3.4882	418.33312460843
Cond-012251	NSC310354	310354	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.416030526589	C1CC(c2c(C1(C)C)cc(c(c2)CC)c1csc(n1)C/C(=N/O)/N)(C)C	InChI=1S/C21H29N3OS/c1-6-13-9-15-16(21(4,5)8-7-20(15,2)3)10-14(13)17-12-26-19(23-17)11-18(22)24-25/h9-10,12,25H,6-8,11H2,1-5H3,(H2,22,24)	C21H29N3OS	371.539	4	3	99.74	3	4	1	2.2926	5.83458000000001	3.22	7.715	70.6498	113.6711	3.0053	357.373538919463
Cond-012252	NSC31069	31069	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.985666020069	O1c2c(C(c3ccccc13)NC(=O)OCC(C)C)cccc2	InChI=1S/C18H19NO3/c1-12(2)11-21-18(20)19-17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10,12,17H,11H2,1-2H3,(H,19,20)	C18H19NO3	297.348	4	1	47.56	3	5	1	0.295999999999999	3.65189	3	5.06	32.7898	87.2547	2.2939	279.927035268251
Cond-012253	NSC311074	311074	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.493484783536	n1cn(c(c1N(=O)=O)Sc1nnc[nH]1)C	InChI=1S/C6H6N6O2S/c1-11-3-8-4(12(13)14)5(11)15-6-7-2-9-10-6/h2-3H,1H3,(H,7,9,10)	C6H6N6O2S	226.216	8	1	127.83	2	3	0	0.9458	0.37487	1.13	0.312	23.5782	50.476	1.4015	154.707194258122
Cond-012254	NSC311153	311153	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	38.9630905520206	c1(ccc2c(c1)c1c([nH]2)c(c2c(c1C)c[n+](cc2)CCN1CCCCC1)C)O.[O-]C(=O)C	InChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)	C26H31N3O3	433.543	4	2	43.14	5	3	0	-1.845	5.50351000000001	3.66	3.608	47.3504	119.877	2.9828	340.284863286664
Cond-012255	NSC311165	311165	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.6959295824455	C\1(=N\c2ccccc2)/N=NC2(CC(CC3(C2O3)C)(C)C)O1	InChI=1S/C16H19N3O2/c1-14(2)9-15(3)12(20-15)16(10-14)19-18-13(21-16)17-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b17-13-	C16H19N3O2	285.341	5	0	58.84	4	1	1	1.3421	3.72799	2.67	5.269	48.6477	79.317	2.1304	262.35481843309
Cond-012256	NSC311723	311723	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3873322336496	c1cnc(cc1)Sc1ncccn1	InChI=1S/C9H7N3S/c1-2-5-10-8(4-1)13-9-11-6-3-7-12-9/h1-7H	C9H7N3S	189.237	3	0	63.97	2	2	0	0.5906	1.86108	2.01	2.097	7.7935	47.085	1.3644	153.3879554093
Cond-012257	NSC311727	311727	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.98397694960833	c1c(sc(n1)Sc1ccncn1)N(=O)=O	InChI=1S/C7H4N4O2S2/c12-11(13)6-3-9-7(15-6)14-5-1-2-8-4-10-5/h1-4H	C7H4N4O2S2	240.262	6	0	135.35	2	3	0	1.8413	2.25167	1.35	1.272	19.477	54.599	1.4633	165.882223824456
Cond-012258	NSC311727	311727	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(sc(n1)Sc1ccncn1)N(=O)=O	InChI=1S/C7H4N4O2S2/c12-11(13)6-3-9-7(15-6)14-5-1-2-8-4-10-5/h1-4H	C7H4N4O2S2	240.262	6	0	135.35	2	3	0	1.8413	2.25167	1.35	1.272	19.477	54.599	1.4633	165.882223824456
Cond-012259	NSC31208	31208	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.985985118568	S=C1NC(=O)/C(=C/c2ccc(cc2)OCC)/N1	InChI=1S/C12H12N2O2S/c1-2-16-9-5-3-8(4-6-9)7-10-11(15)14-12(17)13-10/h3-7H,2H2,1H3,(H2,13,14,15,17)/b10-7-	C12H12N2O2S	248.301	4	2	82.45	2	3	0	0.3675	1.48168	2.23	3.107	44.1309	71.6454	1.8047	222.759602479856
Cond-012260	NSC312606	312606	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.01422587606	c1ccn2c(c1)c(c(n2)NCC)/C=C(\C(=O)OCC)/C#N	InChI=1S/C15H16N4O2/c1-3-17-14-12(9-11(10-16)15(20)21-4-2)13-7-5-6-8-19(13)18-14/h5-9H,3-4H2,1-2H3,(H,17,18)/b11-9-	C15H16N4O2	284.313	6	1	79.42	2	6	0	0.514	2.11968	2.45	2.107	47.7678	80.0347	2.1775	261.95913531459
Cond-012261	NSC316458	316458	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.137818297288	n1cnc2c(c1N)ncn2C1C=C(C(C1O)O)CO	InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)	C11H13N5O3	263.253	8	5	130.31	3	2	0	-1.985	-0.659729999999999	1.79	-1.538	38.8183	67.7668	1.7928	208.11510112145
Cond-012262	NSC31664	31664	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.949911581417	O=[As](c1ccc(cc1O)N)(O)O	InChI=1S/C6H8AsNO4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3,9H,8H2,(H2,10,11,12)	C6H8AsNO4	233.054	5	5	103.78	1	1	0	-1.4661	-1.00251	1.46	1.439	12.7852	40.5203	1.3011	149.244276341578
Cond-012263	NSC31698	31698	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.166677226253	c1cc2c(cc1)c(c(c1c2cccc1)NC(=O)C)OC	InChI=1S/C17H15NO2/c1-11(19)18-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)20-2/h3-10H,1-2H3,(H,18,19)	C17H15NO2	265.307	3	1	38.33	3	3	0	-0.6767	5.29477	3	4.928	20.1817	87.8567	2.0513	240.304365241023
Cond-012264	NSC317003	317003	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.69981615059232	c1(ccc2c(c1)c(=O)c1c(s2)c(ccc1NCCN(C)C)C)O.I	InChI=1S/C18H20N2O2S.HI/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16;/h4-7,10,19,21H,8-9H2,1-3H3;1H	C18H21IN2O2S	456.341	4	2	77.87	3	4	0	0.329100000000001	3.1456	2.89	2.196	48.222	91.9705	2.4985	300.642592833457
Cond-012265	NSC317003	317003	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1(ccc2c(c1)c(=O)c1c(s2)c(ccc1NCCN(C)C)C)O.I	InChI=1S/C18H20N2O2S.HI/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16;/h4-7,10,19,21H,8-9H2,1-3H3;1H	C18H21IN2O2S	456.341	4	2	77.87	3	4	0	0.329100000000001	3.1456	2.89	2.196	48.222	91.9705	2.4985	300.642592833457
Cond-012266	NSC31703	31703	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.513070776822	c1ccccc1/C=C/C(=O)c1ccc(cc1)NC(=O)OCC	InChI=1S/C18H17NO3/c1-2-22-18(21)19-16-11-9-15(10-12-16)17(20)13-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,19,21)	C18H17NO3	295.332	4	1	55.4	2	7	1	0.366	4.16647	3	6.119	34.3728	88.9282	2.3165	287.010576567451
Cond-012267	NSC31712	31712	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.332331564052	O=c1[nH]c(=O)[nH]c(c1F)C(=O)O	InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)	C5H3FN2O4	174.087	6	3	95.5	1	1	0	-1.0602	-1.38432	1.24	-1.131	31.8775	35.0282	0.9846	135.356074395018
Cond-012268	NSC31741	31741	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.934671219111	n1cc(ccc1)[As](=O)(O)O	InChI=1S/C5H6AsNO3/c8-6(9,10)5-2-1-3-7-4-5/h1-4H,(H2,8,9,10)	C5H6AsNO3	203.028	4	2	70.42	1	1	0	-0.2559	-0.89531	1.46	0.749	5.9985	32.2381	1.1015	123.15806501515
Cond-012269	NSC31748	31748	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.223978331917	Ic1cc(c(cc1)[As](=O)(O)O)OC	InChI=1S/C7H8AsIO4/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3,(H2,10,11,12)	C7H8AsIO4	357.962	4	2	66.76	1	2	0	1.1124	0.32289	1.57	2.335	27.2605	53.7121	1.6004	180.820302429544
Cond-012270	NSC317605	317605	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.565528151007	Clc1ccc2c(c1)ncc1c2[nH]c2c1cc(c(c2)CN(CC)CC)OC	InChI=1S/C21H22ClN3O/c1-4-25(5-2)12-13-8-19-16(10-20(13)26-3)17-11-23-18-9-14(22)6-7-15(18)21(17)24-19/h6-11,24H,4-5,12H2,1-3H3	C21H22ClN3O	367.872	4	1	41.15	4	5	0	1.0023	5.91758000000001	3.22	3.717	43.8226	113.378	2.7696	314.646206529896
Cond-012271	NSC31762	31762	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	59.9091113211979	N1(c2ccccc2C(C1=C=Cc1cc(I)c(c(I)c1)O)(C)C)C	InChI=1S/C19H17I2NO/c1-19(2)13-6-4-5-7-16(13)22(3)17(19)9-8-12-10-14(20)18(23)15(21)11-12/h4-8,10-11,23H,1-3H3	C19H17I2NO	529.153	2	1	23.47	3	1	1	3.7258	6.23997	3.11	8.297	66.6044	114.683	2.7908	327.559711132727
Cond-012272	NSC318799	318799	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.490439929255	ClCC1C(C(C(O1)n1c(=O)nc(cc1)N)O)O	InChI=1S/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)	C9H12ClN3O4	261.662	7	4	108.38	2	2	0	-1.7369	-1.59973	1.57	-1.148	55.8737	62.791	1.6871	214.960282026778
Cond-012273	NSC319012	319012	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.8439876151983	O(c1c(OC)cc2c(c1OC)ncnc2NCCCCCO)C	InChI=1S/C16H23N3O4/c1-21-12-9-11-13(15(23-3)14(12)22-2)18-10-19-16(11)17-7-5-4-6-8-20/h9-10,20H,4-8H2,1-3H3,(H,17,18,19)	C16H23N3O4	321.372	7	2	85.73	2	9	0	-1.8769	3.23538	2.45	0.779	45.9712	89.9045000000001	2.465	293.748189235812
Cond-012274	NSC319029	319029	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8420818506552	C1CCC(CC1)(C#N)NCCc1ccc(c(c1)OC)OC	InChI=1S/C17H24N2O2/c1-20-15-7-6-14(12-16(15)21-2)8-11-19-17(13-18)9-4-3-5-10-17/h6-7,12,19H,3-5,8-11H2,1-2H3	C17H24N2O2	288.385	4	1	54.28	2	6	0	-0.859799999999999	3.12859	2.89	2.643	53.2356	84.1997000000001	2.3887	293.36696025239
Cond-012275	NSC319034	319034	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0286381031406	C(C)(C)(C)CC(N1CNC(=S)NC1)(C)C	InChI=1S/C11H23N3S/c1-10(2,3)6-11(4,5)14-7-12-9(15)13-8-14/h6-8H2,1-5H3,(H2,12,13,15)	C11H23N3S	229.385	3	2	59.39	1	3	0	2.7671	1.8959	2.23	3.383	66.9487	68.5934	1.9698	235.318676865834
Cond-012276	NSC319079	319079	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.6159917716161	O(c1c(OCC)cc2c(c1OCC)ncnc2Cl)CC	InChI=1S/C14H17ClN2O3/c1-4-18-10-7-9-11(16-8-17-14(9)15)13(20-6-3)12(10)19-5-2/h7-8H,4-6H2,1-3H3	C14H17ClN2O3	296.749	5	0	53.47	2	6	0	1.1295	3.88449	2.34	2.304	40.931	79.096	2.1471	254.580300845784
Cond-012277	NSC3193	3193	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.142995633708	O1CCCCC1CNS(=O)(=O)c1ccc(cc1)N	InChI=1S/C12H18N2O3S/c13-10-4-6-12(7-5-10)18(15,16)14-9-11-3-1-2-8-17-11/h4-7,11,14H,1-3,8-9,13H2	C12H18N2O3S	270.348	5	3	89.8	2	4	0	-2.7317	1.63009	2.12	0.951	38.5399	65.3301	1.9924	239.459205282817
Cond-012278	NSC319424	319424	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	45.0234534585245	FC(F)(F)c1nnc(s1)NC(=O)c1c(F)cccc1F	InChI=1S/C10H4F5N3OS/c11-4-2-1-3-5(12)6(4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19)	C10H4F5N3OS	309.215	4	1	83.12	2	4	0	2.0133	3.77468	1.46	3.533	23.4146	63.0157	1.6525	209.81196098726
Cond-012279	NSC319435	319435	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.912046297992	O=C1C(=C(SC(N1)c1ccc(c(c1)OC)O)Nc1cc(ccc1)C)C#N	InChI=1S/C19H17N3O3S/c1-11-4-3-5-13(8-11)21-19-14(10-20)17(24)22-18(26-19)12-6-7-15(23)16(9-12)25-2/h3-9,18,21,23H,1-2H3,(H,22,24)	C19H17N3O3S	367.422	6	3	119.68	3	4	0	0.1137	3.38909	2.78	3.248	50.4329	100.1902	2.6689	329.816188265652
Cond-012280	NSC319436	319436	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.579202540699	O=C1C(=C(SC2(N1)CCCC2)Nc1cc(ccc1)C)C#N	InChI=1S/C16H17N3OS/c1-11-5-4-6-12(9-11)18-15-13(10-17)14(20)19-16(21-15)7-2-3-8-16/h4-6,9,18H,2-3,7-8H2,1H3,(H,19,20)	C16H17N3OS	299.391	4	2	90.22	3	2	0	-0.638400000000001	3.58749	2.67	3.596	51.322	84.7674	2.2578	279.157157089329
Cond-012281	NSC319449	319449	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.855224033159	c1ccc2c(c1)/C(=N/OCc1c(OC)ccc(c1)C(=O)C)/CSC2	InChI=1S/C19H19NO3S/c1-13(21)14-7-8-19(22-2)16(9-14)10-23-20-18-12-24-11-15-5-3-4-6-17(15)18/h3-9H,10-12H2,1-2H3/b20-18+	C19H19NO3S	341.424	4	0	73.19	3	5	0	-0.1534	4.11479	3	4.813	48.0883	103.189	2.5553	313.095585250918
Cond-012282	NSC319471	319471	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.922999372051	O(c1ccc(cc1)/N=C\1/NC(CS1)(C)CO)C	InChI=1S/C12H16N2O2S/c1-12(7-15)8-17-11(14-12)13-9-3-5-10(16-2)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,13,14)	C12H16N2O2S	252.333	4	2	79.15	2	3	0	0.2981	1.66779	2.23	2.223	43.8335	71.9885	1.8907	228.032519881456
Cond-012283	NSC319709	319709	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	15.4719327454829	C1CCC(CC1)N1CN(C(=S)N(C1)c1ccccc1)c1ccccc1	InChI=1S/C21H25N3S/c25-21-23(19-12-6-2-7-13-19)16-22(18-10-4-1-5-11-18)17-24(21)20-14-8-3-9-15-20/h2-3,6-9,12-15,18H,1,4-5,10-11,16-17H2	C21H25N3S	351.508	3	0	41.81	4	3	1	-1.1948	5.37489000000001	3.33	8.322	47.2552	109.31	2.795	333.590394817302
Cond-012284	NSC319709	319709	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1CCC(CC1)N1CN(C(=S)N(C1)c1ccccc1)c1ccccc1	InChI=1S/C21H25N3S/c25-21-23(19-12-6-2-7-13-19)16-22(18-10-4-1-5-11-18)17-24(21)20-14-8-3-9-15-20/h2-3,6-9,12-15,18H,1,4-5,10-11,16-17H2	C21H25N3S	351.508	3	0	41.81	4	3	1	-1.1948	5.37489000000001	3.33	8.322	47.2552	109.31	2.795	333.590394817302
Cond-012285	NSC319990	319990	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	39.2116397735973	c1ccc2c(c1)nc(s2)NC(=O)Nc1cc(c(cc1)C)NC(=O)Nc1nc2c(s1)cccc2	InChI=1S/C23H18N6O2S2/c1-13-10-11-14(24-20(30)28-22-26-15-6-2-4-8-18(15)32-22)12-17(13)25-21(31)29-23-27-16-7-3-5-9-19(16)33-23/h2-12H,1H3,(H2,24,26,28,30)(H2,25,27,29,31)	C23H18N6O2S2	474.558	8	4	164.52	5	8	1	0.5678	9.08546	2.89	5.032	40.9743	140.7788	3.29050000000001	376.386911246658
Cond-012286	NSC319994	319994	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.734880823562	c1ccc(cn1)NC(=O)Nc1cc(c(cc1)C)NC(=O)Nc1cccnc1	InChI=1S/C19H18N6O2/c1-13-6-7-14(22-18(26)23-15-4-2-8-20-11-15)10-17(13)25-19(27)24-16-5-3-9-21-12-16/h2-12H,1H3,(H2,22,23,26)(H2,24,25,27)	C19H18N6O2	362.385	8	4	108.04	3	8	0	-0.6134	5.84568	2.67	2.552	25.3873	107.9308	2.7031	321.970759431191
Cond-012287	NSC320218	320218	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	114.533642589422	c1cc(cc2c1n(c1ccccc21)CC)NC(=O)Nc1ccc(cc1C)N(=O)=O	InChI=1S/C22H20N4O3/c1-3-25-20-7-5-4-6-17(20)18-13-15(8-11-21(18)25)23-22(27)24-19-10-9-16(26(28)29)12-14(19)2/h4-13H,3H2,1-2H3,(H2,23,24,27)	C22H20N4O3	388.419	7	2	89.2	4	6	1	1.0403	6.51169000000001	3.11	5.746	32.2232	121.0164	2.8763	337.398960892219
Cond-012288	NSC321484	321484	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5711279507873	c1(sc(nn1)n1cccc1)C	InChI=1S/C7H7N3S/c1-6-8-9-7(11-6)10-4-2-3-5-10/h2-5H,1H3	C7H7N3S	165.216	3	0	58.43	2	1	0	0.6551	2.24611	1.79	1.851	16.5902	45.666	1.1686	124.068903559167
Cond-012289	NSC321491	321491	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.313541903115	c1ccc2c(c1)nc(c1n2ccc1)SCc1cc(Cl)cc2c1OCOC2	InChI=1S/C20H15ClN2O2S/c21-15-8-13-10-24-12-25-19(13)14(9-15)11-26-20-18-6-3-7-23(18)17-5-2-1-4-16(17)22-20/h1-9H,10-12H2	C20H15ClN2O2S	382.863	4	0	61.06	5	3	0	1.0686	5.98658	3	4.907	33.2036	106.892	2.5995	298.659795052424
Cond-012290	NSC321496	321496	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.812552999418	c1cc(Cl)c(cc1)C(=O)Nc1c2C(CC(c2cc(c1C)N1CCCC1)(C)C)(C)C	InChI=1S/C25H31ClN2O/c1-16-20(28-12-8-9-13-28)14-18-21(25(4,5)15-24(18,2)3)22(16)27-23(29)17-10-6-7-11-19(17)26/h6-7,10-11,14H,8-9,12-13,15H2,1-5H3,(H,27,29)	C25H31ClN2O	410.979	3	1	32.34	4	4	1	2.4965	6.80261000000001	3.77	7.571	68.5552	125.1337	3.2764	397.269843525997
Cond-012291	NSC321502	321502	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.937009244093	Clc1ccc2c(c1)cc(o2)c1csc(n1)c1ccc(cc1)Cl	InChI=1S/C17H9Cl2NOS/c18-12-3-1-10(2-4-12)17-20-14(9-22-17)16-8-11-7-13(19)5-6-15(11)21-16/h1-9H	C17H9Cl2NOS	346.23	2	0	54.27	4	2	1	1.9251	6.41577	2.78	5.637	20.6438	94.302	2.2493	254.552380737328
Cond-012292	NSC321506	321506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.781089821102	n1ccn(c1S)c1c(Cl)cccc1Cl	InChI=1S/C9H6Cl2N2S/c10-6-2-1-3-7(11)8(6)13-5-4-12-9(13)14/h1-5H,(H,12,14)	C9H6Cl2N2S	245.128	2	0	56.1	2	1	0	2.0128	4.30238	1.9	3.077	22.8208	63.36	1.5524	175.4497894428
Cond-012293	NSC321517	321517	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	62.5426796986737	N(C(=S)Oc1n(c(=S)nc(c1)C)CCCC)(CC)CC	InChI=1S/C14H23N3OS2/c1-5-8-9-17-12(10-11(4)15-13(17)19)18-14(20)16(6-2)7-3/h10H,5-9H2,1-4H3	C14H23N3OS2	313.482	4	0	92.25	1	8	0	1.4186	3.15648	2.34	3.754	88.7441	92.553	2.4857	306.596505399195
Cond-012294	NSC321792	321792	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.50269749269163	c1ccc(cc1Cl)NC(=O)Nc1sccn1	InChI=1S/C10H8ClN3OS/c11-7-2-1-3-8(6-7)13-9(15)14-10-12-4-5-16-10/h1-6H,(H2,12,13,14,15)	C10H8ClN3OS	253.708	4	2	82.26	2	4	0	0.7072	4.23867	1.9	2.537	23.3517	69.5474	1.6864	194.685234506161
Cond-012295	NSC321792	321792	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc(cc1Cl)NC(=O)Nc1sccn1	InChI=1S/C10H8ClN3OS/c11-7-2-1-3-8(6-7)13-9(15)14-10-12-4-5-16-10/h1-6H,(H2,12,13,14,15)	C10H8ClN3OS	253.708	4	2	82.26	2	4	0	0.7072	4.23867	1.9	2.537	23.3517	69.5474	1.6864	194.685234506161
Cond-012296	NSC322661	322661	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.48691978815423	c1(cc(c2c(c1)c(cc(n2)C(F)(F)F)C(O)C1CCCCN1)Cl)Cl.CS(=O)(=O)O	InChI=1S/C16H15Cl2F3N2O.CH4O3S/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8;1-5(2,3)4/h5-7,12,15,22,24H,1-4H2;1H3,(H,2,3,4)	C17H19Cl2F3N2O4S	475.31	3	2	45.15	3	3	0	0.752799999999999	4.5136	2.34	4.04	43.7732	87.1175	2.3784	292.649102316948
Cond-012297	NSC322661	322661	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	NA	c1(cc(c2c(c1)c(cc(n2)C(F)(F)F)C(O)C1CCCCN1)Cl)Cl.CS(=O)(=O)O	InChI=1S/C16H15Cl2F3N2O.CH4O3S/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8;1-5(2,3)4/h5-7,12,15,22,24H,1-4H2;1H3,(H,2,3,4)	C17H19Cl2F3N2O4S	475.31	3	2	45.15	3	3	0	0.752799999999999	4.5136	2.34	4.04	43.7732	87.1175	2.3784	292.649102316948
Cond-012298	NSC324623	324623	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.615884861257	c1cn2c(=O)c(c3ccccn3)cc(c2cc1)C(=O)c1cnccc1	InChI=1S/C20H13N3O2/c24-19(14-6-5-9-21-13-14)16-12-15(17-7-1-3-10-22-17)20(25)23-11-4-2-8-18(16)23/h1-13H	C20H13N3O2	327.336	5	0	63.16	4	3	0	-0.3864	2.48695	3.11	2.24	50.1911	94.083	2.393	302.183546030957
Cond-012299	NSC3247	3247	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.201676800895	c1cc(c(cc1[As](=O)(O)O)NC(=O)C)O	InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)	C8H10AsNO5	275.09	6	4	106.86	1	3	0	-1.3411	-0.25442	1.57	0.857	21.429	56.4086	1.5986	189.990013593072
Cond-012300	NSC325014	325014	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	21.8890451547472	[C@@H]1([C@@H](CC(=C2C(=O)O[C@@]([C@@H]([C@H]12)NC(=O)[C@@H](N)C)(C(Cl)Cl)C)O)O)O	InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1	C14H20Cl2N2O6	383.224	8	6	142.11	2	4	0	-1.6406	-0.34852	1.9	-0.596	83.8757	88.3195	2.5316	323.234966119501
Cond-012301	NSC326182	326182	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	24.8811311784921	c12c(cc(cc1)c1oc(nn1)Nc1ccc(cc1C)C)OCO2	InChI=1S/C17H15N3O3/c1-10-3-5-13(11(2)7-10)18-17-20-19-16(23-17)12-4-6-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H,18,20)	C17H15N3O3	309.319	6	1	69.41	4	3	0	0.406800000000001	5.27931	2.67	4.342	23.3954	88.3977	2.201	258.731653657118
Cond-012302	NSC326184	326184	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	36.0149333628938	O1COc2c1ccc(c2)c1nnc(o1)Nc1ccc(cc1)Cl	InChI=1S/C15H10ClN3O3/c16-10-2-4-11(5-3-10)17-15-19-18-14(22-15)9-1-6-12-13(7-9)21-8-20-12/h1-7H,8H2,(H,17,19)	C15H10ClN3O3	315.711	6	1	69.41	4	3	0	-0.1329	5.82196	2.34	3.792	18.0068	85.8617	2.0416	239.350752175817
Cond-012303	NSC326375	326375	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.365096583794	c1(c(cc(nn1)c1ccc(cc1)OC)c1ccccc1)c1ccccc1	InChI=1S/C23H18N2O/c1-26-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(25-24-22)19-10-6-3-7-11-19/h2-16H,1H3	C23H18N2O	338.402	3	0	35.01	4	4	1	-0.0518000000000002	6.44178	3.66	8.84	7.3158	109.626	2.6572	312.48451299983
Cond-012304	NSC326385	326385	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4235896303249	C1=CC(=O)N(C1=O)c1ccc(cc1Cl)I	InChI=1S/C10H5ClINO2/c11-7-5-6(12)1-2-8(7)13-9(14)3-4-10(13)15/h1-5H	C10H5ClINO2	333.51	3	0	37.38	2	1	0	1.6605	3.06117	2.01	2.528	42.1132	69.199	1.6402	199.149718403055
Cond-012305	NSC326422	326422	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.596734988548	O(c1ccc(cc1)NC(=O)Nc1sc(nn1)C)CCCC	InChI=1S/C14H18N4O2S/c1-3-4-9-20-12-7-5-11(6-8-12)15-13(19)16-14-18-17-10(2)21-14/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18,19)	C14H18N4O2S	306.383	6	2	104.38	2	8	0	-0.653	4.64709	2.23	3.378	41.688	87.6824	2.2861	268.445092147923
Cond-012306	NSC326644	326644	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	19.2153013750052	c1ccn(c1)c1c(cnn1c1cccc(c1)Cl)C#N	InChI=1S/C14H9ClN4/c15-12-4-3-5-13(8-12)19-14(11(9-16)10-17-19)18-6-1-2-7-18/h1-8,10H	C14H9ClN4	268.701	4	0	45.5	3	2	0	0.8054	3.70788	2.45	3.07	17.6102	76.059	1.89	216.400847656434
Cond-012307	NSC326644	326644	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccn(c1)c1c(cnn1c1cccc(c1)Cl)C#N	InChI=1S/C14H9ClN4/c15-12-4-3-5-13(8-12)19-14(11(9-16)10-17-19)18-6-1-2-7-18/h1-8,10H	C14H9ClN4	268.701	4	0	45.5	3	2	0	0.8054	3.70788	2.45	3.07	17.6102	76.059	1.89	216.400847656434
Cond-012308	NSC32673	32673	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	32.7569162394542	c1(c(cc(c(c1)C)NC(=O)Nc1c2ccccc2ccc1)C(C)C)O	InChI=1S/C21H22N2O2/c1-13(2)17-12-19(14(3)11-20(17)24)23-21(25)22-18-10-6-8-15-7-4-5-9-16(15)18/h4-13,24H,1-3H3,(H2,22,23,25)	C21H22N2O2	334.412	4	3	61.36	3	5	1	0.1269	6.56429	3.33	6.228	32.2771	108.4504	2.6717	317.848605251857
Cond-012309	NSC326757	326757	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.244180886639	c1(ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)O)O	InChI=1S/C20H14O4/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12,21-22H	C20H14O4	318.323	4	2	74.6	3	4	0	-1.4482	3.52819	3.22	4.1	15.8212	92.5421	2.3626	290.866636209179
Cond-012310	NSC326921	326921	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	82.6091221047314	c1cnc(cc1)SC/C=C/CSc1ccccn1	InChI=1S/C14H14N2S2/c1-3-9-15-13(7-1)17-11-5-6-12-18-14-8-2-4-10-16-14/h1-10H,11-12H2	C14H14N2S2	274.404	2	0	76.38	2	6	0	1.6722	3.68167	2.56	4.164	35.33	75.485	2.0896	244.743683687267
Cond-012311	NSC327444	327444	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.65031896134778	C1CCc2c(=C1)n(C1(CCCCC1)N)sc2S	InChI=1S/C13H20N2S2/c14-13(8-4-1-5-9-13)15-11-7-3-2-6-10(11)12(16)17-15/h7,16H,1-6,8-9,14H2	C13H20N2S2	268.441	2	2	93.36	3	1	0	-0.722600000000001	3.63088	2.45	3.798	69.4782	76.8394	2.0551	250.0735338646
Cond-012312	NSC327444	327444	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1CCc2c(=C1)n(C1(CCCCC1)N)sc2S	InChI=1S/C13H20N2S2/c14-13(8-4-1-5-9-13)15-11-7-3-2-6-10(11)12(16)17-15/h7,16H,1-6,8-9,14H2	C13H20N2S2	268.441	2	2	93.36	3	1	0	-0.722600000000001	3.63088	2.45	3.798	69.4782	76.8394	2.0551	250.0735338646
Cond-012313	NSC327693	327693	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.430600671273	Sc1nnc(s1)NC(=O)NCC(=O)NN	InChI=1S/C5H8N6O2S2/c6-9-2(12)1-7-3(13)8-4-10-11-5(14)15-4/h1,6H2,(H,9,12)(H,11,14)(H2,7,8,10,13)	C5H8N6O2S2	248.286	8	5	189.07	1	6	0	-0.9582	-0.45853	0.91	-1.795	43.7153	60.6505	1.5757	181.813151091456
Cond-012314	NSC327702	327702	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	95.2330950112236	c1cc2c3ccccc3c3c(c2cc1)nnc(n3)SCc1ccccc1	InChI=1S/C22H15N3S/c1-2-8-15(9-3-1)14-26-22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-25-22/h1-13H,14H2	C22H15N3S	353.44	3	0	63.97	5	3	1	0.6022	6.09438	3.44	8.765	12.5057	109.674	2.6123	292.647627238368
Cond-012315	NSC328010	328010	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.8431568743953	O(C(=O)C1=C(NC(=C(C(C1)N1C(=O)CCC1=O)C(=O)OC)C)C)C	InChI=1S/C16H20N2O6/c1-8-10(15(21)23-3)7-11(18-12(19)5-6-13(18)20)14(9(2)17-8)16(22)24-4/h11,17H,5-7H2,1-4H3	C16H20N2O6	336.34	8	1	102.01	2	5	0	-0.544900000000001	0.47757	2.34	0.822	85.3389	84.7627	2.4396	319.495423727968
Cond-012316	NSC328087	328087	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	80.4033170520246	c1ccc2c(c1)C(=O)N(C(N2)c1c(c(Cl)cc(c1)Cl)O)CCc1ccccn1	InChI=1S/C21H17Cl2N3O2/c22-13-11-16(19(27)17(23)12-13)20-25-18-7-2-1-6-15(18)21(28)26(20)10-8-14-5-3-4-9-24-14/h1-7,9,11-12,20,25,27H,8,10H2	C21H17Cl2N3O2	414.285	5	2	65.46	4	4	0	-0.1711	4.95579	3	4.626	35.3386	114.8387	2.8647	344.274583599291
Cond-012317	NSC328111	328111	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	97.9640725715506	Clc1oc(=O)c2c(c1)oc(nc2=O)Nc1cccc(c1)Cl	InChI=1S/C13H6Cl2N2O4/c14-6-2-1-3-7(4-6)16-13-17-11(18)10-8(20-13)5-9(15)21-12(10)19/h1-5H,(H,16,17,18)	C13H6Cl2N2O4	325.104	6	1	76.99	3	2	0	0.7458	3.13985	2.01	3.418	49.6206	79.4167	1.9497	251.919775887712
Cond-012318	NSC328130	328130	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.86758204734953	C1CCCC2(CC1)N=C(N(N2)c1ccccc1)S	InChI=1S/C14H19N3S/c18-13-15-14(10-6-1-2-7-11-14)16-17(13)12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,15,18)	C14H19N3S	261.386	3	1	66.43	3	1	0	-1.5756	3.77228	2.56	4.897	40.4615	80.1497	2.0463	243.684337239434
Cond-012319	NSC328130	328130	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	C1CCCC2(CC1)N=C(N(N2)c1ccccc1)S	InChI=1S/C14H19N3S/c18-13-15-14(10-6-1-2-7-11-14)16-17(13)12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,15,18)	C14H19N3S	261.386	3	1	66.43	3	1	0	-1.5756	3.77228	2.56	4.897	40.4615	80.1497	2.0463	243.684337239434
Cond-012320	NSC32838	32838	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.654269853378	O=C1NC2(C(=O)N1)CCc1c2cccc1	InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)	C11H10N2O2	202.209	4	2	58.2	3	0	0	-0.7181	-0.0756100000000001	2.23	2.004	26.5043	55.1914	1.4347	177.234593796389
Cond-012321	NSC328403	328403	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.770249211456	[C@@H]1(CCc2c(c(c(c(c2c2c1cc(=O)c(cc2)OC)OC)OC)OC)C=O)NC(=O)C	InChI=1S/C23H25NO7/c1-12(26)24-17-8-6-14-16(11-25)21(29-3)23(31-5)22(30-4)20(14)13-7-9-19(28-2)18(27)10-15(13)17/h7,9-11,17H,6,8H2,1-5H3,(H,24,26)/t17-/m0/s1	C23H25NO7	427.447	8	1	100.16	3	7	0	-1.1056	2.53745	3.11	0.934	92.7121	117.0507	3.1472	407.19494779823
Cond-012322	NSC32873	32873	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.938738990319	O=[As](c1c(cc(cc1)NC(=O)OCC)O)(O)O	InChI=1S/C9H12AsNO6/c1-2-17-9(13)11-6-3-4-7(8(12)5-6)10(14,15)16/h3-5,12H,2H2,1H3,(H,11,13)(H2,14,15,16)	C9H12AsNO6	305.116	7	4	116.09	1	5	0	-0.4475	-0.28032	1.57	2.309	27.3464	62.3606	1.7982	216.0762249195
Cond-012323	NSC32892	32892	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.803030999233	O1C(=O)C(C(=O)C=C1C)/C(=N/c1ccccc1Cl)/C	InChI=1S/C14H12ClNO3/c1-8-7-12(17)13(14(18)19-8)9(2)16-11-6-4-3-5-10(11)15/h3-7,13H,1-2H3	C14H12ClNO3	277.703	4	0	55.73	2	2	0	0.5028	3.13607	2.45	2.254	48.2061	76.355	1.9613	249.210623236017
Cond-012324	NSC329052	329052	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.123276601804	c1coc(c1)CNC(=O)C(=O)NN(C(=O)NC1CCCCC1)C	InChI=1S/C15H22N4O4/c1-19(15(22)17-11-6-3-2-4-7-11)18-14(21)13(20)16-10-12-8-5-9-23-12/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,20)(H,17,22)(H,18,21)	C15H22N4O4	322.36	8	3	103.68	2	9	0	-3.4279	0.77629	2.23	1.014	54.8095	86.7811	2.4239	298.348964818112
Cond-012325	NSC329065	329065	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	83.9539372113043	c1ccc2c(c1)C(SCC(=O)NNC(=O)Nc1c(cc(cc1)C)C)CC2	InChI=1S/C20H23N3O2S/c1-13-7-9-17(14(2)11-13)21-20(25)23-22-19(24)12-26-18-10-8-15-5-3-4-6-16(15)18/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,22,24)(H2,21,23,25)	C20H23N3O2S	369.481	5	3	95.53	3	8	1	0.134299999999999	3.22773	3	5.626	51.9187	106.5661	2.8371	343.594863592558
Cond-012326	NSC329249	329249	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	31.1899671557239	c1ccc2c(c1)nc(s2)NC(=O)Nc1cc(c(cc1)Cl)N(=O)=O	InChI=1S/C14H9ClN4O3S/c15-9-6-5-8(7-11(9)19(21)22)16-13(20)18-14-17-10-3-1-2-4-12(10)23-14/h1-7H,(H2,16,17,18,20)	C14H9ClN4O3S	348.764	7	2	125.4	3	5	0	1.3673	5.56426	2.01	3.841	27.2417	96.6224	2.2296	261.280551815717
Cond-012327	NSC329250	329250	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	47.7518595329067	c1ccc2c(c1)nc(s2)NC(=O)Nc1c(Cl)cc(cc1)N(=O)=O	InChI=1S/C14H9ClN4O3S/c15-9-7-8(19(21)22)5-6-10(9)16-13(20)18-14-17-11-3-1-2-4-12(11)23-14/h1-7H,(H2,16,17,18,20)	C14H9ClN4O3S	348.764	7	2	125.4	3	5	0	1.3673	5.56426	2.01	3.841	27.2417	96.6224	2.2296	261.280551815717
Cond-012328	NSC329255	329255	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.081441205573	c1ccc2c(c1C)nc(s2)NC(=O)Nc1cc(SC)ccc1	InChI=1S/C16H15N3OS2/c1-10-5-3-8-13-14(10)18-16(22-13)19-15(20)17-11-6-4-7-12(9-11)21-2/h3-9H,1-2H3,(H2,17,18,19,20)	C16H15N3OS2	329.44	4	2	107.56	3	5	0	1.2978	5.89358	2.56	4.337	36.7284	98.5054	2.3783	273.229722446129
Cond-012329	NSC329284	329284	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.1588180819851	C1Cn2c(=N1)sc(cc2=O)C(=O)OC	InChI=1S/C8H8N2O3S/c1-13-7(12)5-4-6(11)10-3-2-9-8(10)14-5/h4H,2-3H2,1H3	C8H8N2O3S	212.226	5	0	84.27	2	2	0	0.233399999999999	0.14838	1.68	-0.393	52.2319	54.678	1.3858	178.53880807855
Cond-012330	NSC329676	329676	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0686948586668	c1(cnc(n1CCOC(=O)N)C)N(=O)=O	InChI=1S/C7H10N4O4/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)	C7H10N4O4	214.179	8	2	113.28	1	5	0	0.6638	-0.16849	1.35	-0.121	30.9039	54.0914	1.4483	174.974005212778
Cond-012331	NSC32984	32984	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	113.785640570127	O=C1Cc2ccc3OCOc3c2CN(CCc2c1cc(c(c2)OC)OC)C	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3	C21H23NO5	369.411	6	0	57.23	4	2	0	-0.241	3.53098	3.11	1.933	54.4698	106.837	2.7254	337.038983846174
Cond-012332	NSC33005	33005	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.89399555866921	s1c(nc2c1cccc2)c1ccc(cc1O)O	InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H	C13H9NO2S	243.281	3	2	81.59	3	1	0	-0.33	4.19868	2.45	2.563	12.9227	72.7298	1.6942	192.265909495956
Cond-012333	NSC33005	33005	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	s1c(nc2c1cccc2)c1ccc(cc1O)O	InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H	C13H9NO2S	243.281	3	2	81.59	3	1	0	-0.33	4.19868	2.45	2.563	12.9227	72.7298	1.6942	192.265909495956
Cond-012334	NSC33010	33010	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.64233002626	s1c(nc2c1cccc2)c1ccc(cc1)C(C)C	InChI=1S/C16H15NS/c1-11(2)12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)18-16/h3-11H,1-2H3	C16H15NS	253.362	1	0	41.13	3	2	1	1.1635	4.99788	3	6.522	22.0613	77.6220000000001	1.9995	226.573409972434
Cond-012335	NSC330497	330497	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.771074140015	C1CC(=O)N(C1)CC#CCN1CCCC1	InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	C12H18N2O	206.284	3	0	23.55	2	2	0	-0.802399999999999	1.02148	2.45	0.517	55.7479	61.862	1.7115	214.269727824095
Cond-012336	NSC330500	330500	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.51912653869979	c1c(cc2c(c1C(C(CC(C(C(/C=C(\C(C(/C=C\C=C(\C(=O)N2)/C)C)OC(=O)N)/C)C)OC)OC)C)OC)O)O	InChI=1S/C30H44N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12-	C30H44N2O8	560.679	10	5	149.57	2	5	0	0.955599999999995	4.43926000000001	3.66	2.128	126.48	156.9159	4.4436	563.046744489625
Cond-012337	NSC330500	330500	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(cc2c(c1C(C(CC(C(C(/C=C(\C(C(/C=C\C=C(\C(=O)N2)/C)C)OC(=O)N)/C)C)OC)OC)C)OC)O)O	InChI=1S/C30H44N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12-	C30H44N2O8	560.679	10	5	149.57	2	5	0	0.955599999999995	4.43926000000001	3.66	2.128	126.48	156.9159	4.4436	563.046744489625
Cond-012338	NSC330770	330770	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	10.4062289906324	O(C(=O)Nc1nc(c2c(c1)NCC(=N2)c1ccccc1)N)CC	InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-8,18H,2,9H2,1H3,(H3,17,20,21,22)	C16H17N5O2	311.338	7	4	101.63	3	5	0	-1.209	3.27946	2.45	2.876	37.4705	95.3758	2.3096	277.895421447823
Cond-012339	NSC330770	330770	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(C(=O)Nc1nc(c2c(c1)NCC(=N2)c1ccccc1)N)CC	InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-8,18H,2,9H2,1H3,(H3,17,20,21,22)	C16H17N5O2	311.338	7	4	101.63	3	5	0	-1.209	3.27946	2.45	2.876	37.4705	95.3758	2.3096	277.895421447823
Cond-012340	NSC330796	330796	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	54.3207453751491	O(c1c(OC)cc2c(c1)C(=O)C(=N2=O)c1ccccc1)C	InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3	C16H13NO4	283.279	5	0	64.28	3	3	0	-0.631200000000001	3.07058	2.67	3.436	25.3236	82.78	2.0278	251.488834016278
Cond-012341	NSC331198	331198	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.9821988693185	N(=C(\SC)/NCC=C)/C#N	InChI=1S/C6H9N3S/c1-3-4-8-6(10-2)9-5-7/h3H,1,4H2,2H3,(H,8,9)	C6H9N3S	155.221	3	1	73.48	0	4	0	1.5887	0.85217	1.68	0.991	43.7049	46.8257	1.2449	153.2858363349
Cond-012342	NSC331208	331208	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.4429239225498	c1(nc(n[nH]1)N)Nc1ccccc1	InChI=1S/C8H9N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)	C8H9N5	175.191	5	4	79.62	2	2	0	-1.5907	2.05907	1.79	2.018	10.8221	53.2771	1.3026	142.212925842967
Cond-012343	NSC33173	33173	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	91.4691332509753	Clc1ccc2c(c3cc(ccc3nc2c1)OC)C#N	InChI=1S/C15H9ClN2O/c1-19-10-3-5-14-12(7-10)13(8-17)11-4-2-9(16)6-15(11)18-14/h2-7H,1H3	C15H9ClN2O	268.698	3	0	45.91	3	1	0	0.7272	4.39308	2.67	3.234	19.13	78.085	1.89	220.493538566528
Cond-012344	NSC33182	33182	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3669813623644	O=c1[nH]c(=S)c2[nH]c(=S)n(c2[nH]1)c1ccccc1	InChI=1S/C11H8N4OS2/c16-10-13-8-7(9(17)14-10)12-11(18)15(8)6-4-2-1-3-5-6/h1-5H,(H,12,18)(H2,13,14,16,17)	C11H8N4OS2	276.337	5	3	120.58	3	1	0	0.4496	1.24167	1.9	3.011	48.4956	78.9541	1.8166	222.183018225762
Cond-012345	NSC331968	331968	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.63065693003	c1ccc2c(c1)Cc1c2n[nH]c1c1ccc(c(c1)Cl)Cl	InChI=1S/C16H10Cl2N2/c17-13-6-5-10(8-14(13)18)15-12-7-9-3-1-2-4-11(9)16(12)20-19-15/h1-6,8H,7H2,(H,19,20)	C16H10Cl2N2	301.17	2	1	28.68	4	1	1	1.5244	5.24709	2.78	5.67	19.1322	85.813	2.029	234.490364262267
Cond-012346	NSC331972	331972	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5188854451515	c1(c(cc(cc1)NC(=O)N1CCCCC1)N(=O)=O)C	InChI=1S/C13H17N3O3/c1-10-5-6-11(9-12(10)16(18)19)14-13(17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)	C13H17N3O3	263.292	6	1	75.48	2	4	0	-0.166400000000001	3.3143	2.23	2.687	37.4939	77.5247	1.9836	243.97000865765
Cond-012347	NSC331977	331977	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.145663387336	c1(noc2c1c(=O)n(c(c2)c1ccccc1)C)CC	InChI=1S/C15H14N2O2/c1-3-11-14-13(19-16-11)9-12(17(2)15(14)18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3	C15H14N2O2	254.284	4	0	46.34	3	2	0	-0.902300000000001	2.90267	2.67	4.05	33.2139	74.496	1.9123	230.245614898256
Cond-012348	NSC3323	3323	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	116.392183436171	c1(ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)N(=O)=O	InChI=1S/C23H25N3O2/c1-24(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)25(3)4)19-9-15-22(16-10-19)26(27)28/h5-16,23H,1-4H3	C23H25N3O2	375.463	5	0	49.62	3	6	1	1.1617	5.29449000000001	3.44	7.196	36.1203	116.708	3.0103	360.800876010958
Cond-012349	NSC332452	332452	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.912707928815	c1cc(c(c(c1)Cl)CNC(=O)c1c(nns1)C)F	InChI=1S/C11H9ClFN3OS/c1-6-10(18-16-15-6)11(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17)	C11H9ClFN3OS	285.725	4	1	83.12	2	4	0	1.6309	1.97222	1.9	2.576	32.1678	68.6607	1.845	218.048777982335
Cond-012350	NSC332473	332473	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.627879645098	c1(nnn(c1N)c1ccc(cc1)Cl)C#N	InChI=1S/C9H6ClN5/c10-6-1-3-7(4-2-6)15-9(12)8(5-11)13-14-15/h1-4H,12H2	C9H6ClN5	219.63	5	2	80	2	1	0	0.0423	1.87018	1.79	1.365	18.9343	58.4974	1.4799	169.447060837667
Cond-012351	NSC332670	332670	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc2c3ccccc3c3c(c2cc1)nc(c1c(cccc1)O)[nH]3	InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)	C21H14N2O	310.349	3	2	48.91	5	1	1	-0.8807	5.58418	3.44	6.655	5.8646	102.983	2.3098	257.272543748096
Cond-012352	NSC332670	332670	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	10.109455179274	c1cc2c3ccccc3c3c(c2cc1)nc(c1c(cccc1)O)[nH]3	InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)	C21H14N2O	310.349	3	2	48.91	5	1	1	-0.8807	5.58418	3.44	6.655	5.8646	102.983	2.3098	257.272543748096
Cond-012353	NSC33353	33353	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	75.3063219324595	Clc1c(cccc1)/C=C/C(=O)Nc1ccc2nc(cc(c2c1)N)C	InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)	C19H16ClN3O	337.803	4	3	68.01	3	4	0	0.1602	6.36978	3	4.555	33.2552	103.0581	2.5104	298.037778577362
Cond-012354	NSC333544	333544	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.8883152338379	N(S(=O)(=O)c1nnc([nH]1)C(C)(C)C)(Cc1ccccc1)C(C)C	InChI=1S/C16H24N4O2S/c1-12(2)20(11-13-9-7-6-8-10-13)23(21,22)15-17-14(18-19-15)16(3,4)5/h6-10,12H,11H2,1-5H3,(H,17,18,19)	C16H24N4O2S	336.452	6	1	87.33	2	6	0	0.263099999999999	2.79918000000001	2.45	4.396	53.4759	85.803	2.6109	305.673520100457
Cond-012355	NSC33478	33478	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.980235052761	c1cc(ccc1NC(=O)Nc1cc(c(cc1C)O)C(C)C)OCC	InChI=1S/C19H24N2O3/c1-5-24-15-8-6-14(7-9-15)20-19(23)21-17-11-16(12(2)3)18(22)10-13(17)4/h6-12,22H,5H2,1-4H3,(H2,20,21,23)	C19H24N2O3	328.405	5	3	70.59	2	7	0	0.325500000000001	5.80979	3	4.331	43.8867	102.1134	2.6432	320.576238803085
Cond-012356	NSC335048	335048	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	98.3877419523634	c1ccc2c(c1)C1=C3C(=NN=C3CCN1C2=O)O	InChI=1S/C13H9N3O2/c17-12-10-9(14-15-12)5-6-16-11(10)7-3-1-2-4-8(7)13(16)18/h1-4H,5-6H2,(H,15,17)	C13H9N3O2	239.229	5	1	65.26	4	0	0	-0.9502	1.26667	2.34	2.48	40.2086	69.2888	1.6217	205.193947153889
Cond-012357	NSC335504	335504	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	48.0103400182772	n1cccc(c1Nc1c(c(Cl)ccc1)C)C(=O)OCC(O)CO	InChI=1S/C16H17ClN2O4/c1-10-13(17)5-2-6-14(10)19-15-12(4-3-7-18-15)16(22)23-9-11(21)8-20/h2-7,11,20-21H,8-9H2,1H3,(H,18,19)	C16H17ClN2O4	336.77	6	3	91.68	2	7	0	-0.0730000000000004	2.63981	2.45	2.406	38.6609	89.5173	2.4016	292.689579396479
Cond-012358	NSC335506	335506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.194228592696	Clc1ccc2c(c1)CCc1c(C2CCN(C)C)nccc1.O=C(NCC(=O)O)C	InChI=1S/C18H21ClN2.C4H7NO3/c1-21(2)11-9-17-16-8-7-15(19)12-14(16)6-5-13-4-3-10-20-18(13)17;1-3(6)5-2-4(7)8/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3;2H2,1H3,(H,5,6)(H,7,8)	C22H28ClN3O3	417.929	2	0	16.13	3	3	0	0.776199999999999	4.3604	3.11	4.383	40.8345	88.491	2.383	282.400641845968
Cond-012359	NSC335649	335649	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.563912660017	c1(nc2n(n1)c(=O)c(n[nH]2)C)N	InChI=1S/C5H6N6O/c1-2-3(12)11-5(9-8-2)7-4(6)10-11/h1H3,(H3,6,7,9,10)	C5H6N6O	166.141	7	3	98.19	2	0	0	-1.9008	-0.42683	1.24	-0.242	26.9911	46.6701	1.0814	123.648417574895
Cond-012360	NSC33570	33570	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	8.92292498091905	N1(CCOCC1)C(c1ccccc1)CC(=O)/C=C/c1ccccc1	InChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)17-21(19-9-5-2-6-10-19)22-13-15-24-16-14-22/h1-12,21H,13-17H2	C21H23NO2	321.413	3	0	29.54	3	6	1	-0.0127999999999993	3.44258	3.44	6.394	46.9025	98.078	2.6149	320.388303744491
Cond-012361	NSC33570	33570	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CCOCC1)C(c1ccccc1)CC(=O)/C=C/c1ccccc1	InChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)17-21(19-9-5-2-6-10-19)22-13-15-24-16-14-22/h1-12,21H,13-17H2	C21H23NO2	321.413	3	0	29.54	3	6	1	-0.0127999999999993	3.44258	3.44	6.394	46.9025	98.078	2.6149	320.388303744491
Cond-012362	NSC33575	33575	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.838373019161	O=C1OC(=C/C/1=C/c1ccc(cc1)N(C)C)c1cc2CCCCc2cc1	InChI=1S/C23H23NO2/c1-24(2)21-11-7-16(8-12-21)13-20-15-22(26-23(20)25)19-10-9-17-5-3-4-6-18(17)14-19/h7-15H,3-6H2,1-2H3	C23H23NO2	345.434	3	0	29.54	4	3	1	-0.0313000000000003	4.48117000000001	3.66	7.241	54.8819	107.018	2.7451	339.987355594624
Cond-012363	NSC335979	335979	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5891960352144	O(C(=O)NC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)CC(C)C)Cc1ccccc1	InChI=1S/C25H29N3O5/c1-16(2)12-21(28-25(32)33-15-17-8-4-3-5-9-17)23(29)27-22(24(30)31)13-18-14-26-20-11-7-6-10-19(18)20/h3-11,14,16,21-22,26H,12-13,15H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)	C25H29N3O5	451.515	8	4	120.52	3	13	2	-0.790699999999999	2.80268	3.33	5.694	61.6964	128.1462	3.46820000000001	421.763525364375
Cond-012364	NSC33738	33738	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	93.6264808593309	Clc1cc(ccc1Cl)NC(=O)COc1ccccc1C(=O)N	InChI=1S/C15H12Cl2N2O3/c16-11-6-5-9(7-12(11)17)19-14(20)8-22-13-4-2-1-3-10(13)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)	C15H12Cl2N2O3	339.173	5	3	81.42	2	6	0	-0.1369	3.67828	2.34	2.768	32.2953	88.8111	2.2814	279.177977139684
Cond-012365	NSC337726	337726	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	96.2887326051994	C1CS(=O)(=O)CC1N(/N=C/c1ccco1)c1ccccc1	InChI=1S/C15H16N2O3S/c18-21(19)10-8-14(12-21)17(13-5-2-1-3-6-13)16-11-15-7-4-9-20-15/h1-7,9,11,14H,8,10,12H2	C15H16N2O3S	304.364	5	0	71.26	3	4	0	-0.9155	3.81278	2.45	3.997	36.4436	83.565	2.1775	260.181324357217
Cond-012366	NSC337832	337832	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	50.5296427029183	N1=C(N=C(NC1(C)C)NCCCOc1ccc(cc1)N(=O)=O)N.C(C)S(=O)(=O)O	InChI=1S/C14H20N6O3.C2H6O3S/c1-14(2)18-12(15)17-13(19-14)16-8-3-9-23-11-6-4-10(5-7-11)20(21)22;1-2-6(3,4)5/h4-7H,3,8-9H2,1-2H3,(H4,15,16,17,18,19);2H2,1H3,(H,3,4,5)	C16H26N6O6S	430.479	9	4	127.17	2	7	0	-0.710099999999999	1.38419	2.01	2.113	51.6425	90.4658	2.3809	291.619815207218
Cond-012367	NSC338042	338042	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.892358637986	c1cc(c(cc1)NC(=O)C(=O)Nc1ccccc1c1ccccc1)c1ccccc1	InChI=1S/C26H20N2O2/c29-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)26(30)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)	C26H20N2O2	392.449	4	2	58.2	4	7	1	-1.2696	7.12867	3.88	10.016	14.883	126.5124	3.0526	367.889776176391
Cond-012368	NSC338106	338106	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.00260359957689	n1nnc([nH]1)/N=N/c1ccc2c(c1O)cccc2	InChI=1S/C11H8N6O/c18-10-8-4-2-1-3-7(8)5-6-9(10)12-13-11-14-16-17-15-11/h1-6,18H,(H,14,15,16,17)	C11H8N6O	240.221	7	2	99.41	3	2	0	-0.8807	2.26028	1.9	4.23	5.8646	67.633	1.6462	182.722031826095
Cond-012369	NSC338106	338106	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1nnc([nH]1)/N=N/c1ccc2c(c1O)cccc2	InChI=1S/C11H8N6O/c18-10-8-4-2-1-3-7(8)5-6-9(10)12-13-11-14-16-17-15-11/h1-6,18H,(H,14,15,16,17)	C11H8N6O	240.221	7	2	99.41	3	2	0	-0.8807	2.26028	1.9	4.23	5.8646	67.633	1.6462	182.722031826095
Cond-012370	NSC338205	338205	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.196309693823	Clc1nnc(c(c1)C(=O)O)O	InChI=1S/C5H3ClN2O3/c6-3-1-2(5(10)11)4(9)8-7-3/h1H,(H,8,9)(H,10,11)	C5H3ClN2O3	174.542	5	2	83.31	1	1	0	-0.1664	0.50219	1.35	0.618	15.8861	38.6876	1.0306	124.809356614583
Cond-012371	NSC338519	338519	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	107.821265144519	FC(F)(c1cccc(c1)/C(=C/c1ccc(cc1)N(C)CCC#N)/C#N)F	InChI=1S/C20H16F3N3/c1-26(11-3-10-24)19-8-6-15(7-9-19)12-17(14-25)16-4-2-5-18(13-16)20(21,22)23/h2,4-9,12-13H,3,11H2,1H3	C20H16F3N3	355.356	3	0	50.82	2	6	1	1.6016	4.55296	3	6.037	45.7864	93.756	2.5889	330.155145283154
Cond-012372	NSC338564	338564	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	74.163807326135	Clc1ccc(cc1n1cccc1)/C(=N/NC(=O)N)/C	InChI=1S/C13H13ClN4O/c1-9(16-17-13(15)19)10-4-5-11(14)12(8-10)18-6-2-3-7-18/h2-8H,1H3,(H3,15,17,19)	C13H13ClN4O	276.722	5	3	71.89	2	4	0	0.0340999999999998	2.04288	2.23	2.672	30.4837	79.8201	2.0024	236.424465833528
Cond-012373	NSC338578	338578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.156367802483	n1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)c1ccncc1	InChI=1S/C18H14N4O2/c23-17(13-5-9-19-10-6-13)21-15-1-2-16(4-3-15)22-18(24)14-7-11-20-12-8-14/h1-12H,(H,21,23)(H,22,24)	C18H14N4O2	318.329	6	2	83.98	3	6	0	-1.2696	3.54968	2.78	2.722	14.883	94.0869	2.3626	282.68125438899
Cond-012374	NSC3391	3391	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.423974044706	C1CC23C4CC5C(=CCOC6C5C3N(c3c2cc(c(c3)OC)OC)C(=O)C6)CN14.CC(C)CC(NC=O)C(=O)O	InChI=1S/C23H26N2O4.C7H13NO3/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2)3-6(7(10)11)8-4-9/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9)(H,10,11)	C30H39N3O7	553.647	6	0	51.24	7	2	0	-0.887699999999999	2.79687	3.33	0.632	82.468	109.91	2.8085	352.941027904713
Cond-012375	NSC339161	339161	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.95719165894	c1ccc2c(c1)[nH]c(=O)c(n2)c1cc(n(n1)c1ccc(cc1)Cl)COC(=O)C	InChI=1S/C20H15ClN4O3/c1-12(26)28-11-15-10-18(24-25(15)14-8-6-13(21)7-9-14)19-20(27)23-17-5-3-2-4-16(17)22-19/h2-10H,11H2,1H3,(H,23,27)	C20H15ClN4O3	394.811	7	1	85.06	4	5	0	-0.0525000000000002	3.88317	2.78	4.044	38.9865	110.0977	2.7169	328.918059410918
Cond-012376	NSC339316	339316	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	10.7125763118053	N1(CC2CCC(C1)CC2)C(=S)N/N=C(\c1cnccn1)/C	InChI=1S/C15H21N5S/c1-11(14-8-16-6-7-17-14)18-19-15(21)20-9-12-2-3-13(10-20)5-4-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,19,21)/b18-11-	C15H21N5S	303.426	5	1	85.5	2	4	0	0.609100000000001	2.60229	2.45	3.133	62.7982	88.0387	2.3438	280.337383580834
Cond-012377	NSC339316	339316	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CC2CCC(C1)CC2)C(=S)N/N=C(\c1cnccn1)/C	InChI=1S/C15H21N5S/c1-11(14-8-16-6-7-17-14)18-19-15(21)20-9-12-2-3-13(10-20)5-4-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,19,21)/b18-11-	C15H21N5S	303.426	5	1	85.5	2	4	0	0.609100000000001	2.60229	2.45	3.133	62.7982	88.0387	2.3438	280.337383580834
Cond-012378	NSC339578	339578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	65.2005677394119	c1(nc2ccc3c(c2c(n1)N)cc[nH]3)N	InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15)	C10H9N5	199.212	5	5	93.61	3	0	0	-1.9202	1.60398	2.01	0.264	11.7442	62.7338	1.4328	150.9119776931
Cond-012379	NSC339589	339589	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	16.8107993527389	Clc1ccc(cc1)c1csc(n1)NC(=O)CN1CCCC1	InChI=1S/C15H16ClN3OS/c16-12-5-3-11(4-6-12)13-10-21-15(17-13)18-14(20)9-19-7-1-2-8-19/h3-6,10H,1-2,7-9H2,(H,17,18,20)	C15H16ClN3OS	321.825	4	1	73.47	3	5	0	-0.0413000000000003	4.78537	2.45	2.945	43.5582	92.2747	2.2823	268.808698934695
Cond-012380	NSC339594	339594	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	42.1897430558031	c1(c(c(c(nc1C)Sc1c(c(cc(n1)C)C)C#N)C#N)C)N(=O)=O	InChI=1S/C16H13N5O2S/c1-8-5-9(2)19-15(12(8)6-17)24-16-13(7-18)10(3)14(21(22)23)11(4)20-16/h5H,1-4H3	C16H13N5O2S	339.372	7	0	141.8	2	3	0	3.4831	3.34085	2.34	3.005	46.5499	86.54	2.4527	300.851528103823
Cond-012381	NSC339630	339630	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3426351601934	C1CNC(=CC(=N1)NC(C)(C)C)c1ccccc1.CS(=O)(=O)O	InChI=1S/C15H21N3.CH4O3S/c1-15(2,3)18-14-11-13(16-9-10-17-14)12-7-5-4-6-8-12;1-5(2,3)4/h4-8,11,16H,9-10H2,1-3H3,(H,17,18);1H3,(H,2,3,4)	C16H25N3O3S	339.453	3	2	36.42	2	3	0	-0.1501	2.13228	2.78	4.259	50.3079	77.3654000000001	2.0893	252.1912978077
Cond-012382	NSC34012	34012	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.604004792238	n1nc(sc1N)CC(C)C	InChI=1S/C6H11N3S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)	C6H11N3S	157.237	3	2	80.04	1	2	0	0.6692	2.12918	1.68	1.659	30.7352	44.9454	1.2223	135.3022950357
Cond-012383	NSC341074	341074	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.371919504087	c1nc(c(n1C)Sc1[nH]nc(n1)N)N(=O)=O	InChI=1S/C6H7N7O2S/c1-12-2-8-3(13(14)15)4(12)16-6-9-5(7)10-11-6/h2H,1H3,(H3,7,9,10,11)	C6H7N7O2S	241.23	9	3	153.85	2	3	0	0.1959	0.362260000000001	1.02	0.0419999999999998	27.8003	55.9294	1.5013	165.703954466289
Cond-012384	NSC341196	341196	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.263061721579	C1CC1NC(=O)Nc1ccc(cc1OC)c1ccc(c(c1)OC)NC(=O)NC1CC1	InChI=1S/C22H26N4O4/c1-29-19-11-13(3-9-17(19)25-21(27)23-15-5-6-15)14-4-10-18(20(12-14)30-2)26-22(28)24-16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3,(H2,23,25,27)(H2,24,26,28)	C22H26N4O4	410.466	8	4	100.72	4	11	1	-2.6118	4.18508	3	2.73	52.959	119.3158	3.064	375.89856369518
Cond-012385	NSC341902	341902	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5614526711613	C1CCC2=C(C(=O)NC2(C1)O)C#N	InChI=1S/C9H10N2O2/c10-5-6-7-3-1-2-4-9(7,13)11-8(6)12/h13H,1-4H2,(H,11,12)	C9H10N2O2	178.188	4	2	73.12	2	0	0	-1.7654	0.19138	2.01	-0.608	39.9839	45.4475	1.3045	168.535541946256
Cond-012386	NSC341956	341956	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5436745866772	O(c1c(OC(=O)C)cc2c(c1)CC(N2)(C(=O)OC)C)C(=O)C	InChI=1S/C15H17NO6/c1-8(17)21-12-5-10-7-15(3,14(19)20-4)16-11(10)6-13(12)22-9(2)18/h5-6,16H,7H2,1-4H3	C15H17NO6	307.299	7	1	90.93	2	6	0	-0.0958000000000007	2.77167	2.34	1.463	51.5107	82.3547	2.1989	280.302678893934
Cond-012387	NSC34210	34210	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.901022789851	C(CC)(C)NC(=O)CC(C)C	InChI=1S/C9H19NO/c1-5-8(4)10-9(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)	C9H19NO	157.253	2	1	29.1	0	5	0	-0.2629	2.18109	2.23	2.281	44.3654	50.5937	1.4922	181.370848541528
Cond-012388	NSC34219	34219	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	50.9782622097052	O1C(OC(C(C1)CC)CCC)c1c(Cl)cc2OCOc2c1	InChI=1S/C16H21ClO4/c1-3-5-13-10(4-2)8-18-16(21-13)11-6-14-15(7-12(11)17)20-9-19-14/h6-7,10,13,16H,3-5,8-9H2,1-2H3	C16H21ClO4	312.789	4	0	36.92	3	4	0	-0.8407	4.46869	2.67	3.815	50.9485	81.113	2.2654	279.785435082545
Cond-012389	NSC342459	342459	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.100528851706	O(C(=O)Cn1nc2c(c1C)c(c(c(=O)o2)CCN1CCN(CC1)c1c(cccc1)OC)C)CC	InChI=1S/C25H32N4O5/c1-5-33-22(30)16-29-18(3)23-17(2)19(25(31)34-24(23)26-29)10-11-27-12-14-28(15-13-27)20-8-6-7-9-21(20)32-4/h6-9H,5,10-16H2,1-4H3	C25H32N4O5	468.545	9	0	86.13	4	9	0	1.4282	3.92658000000001	3.22	2.476	90.2715	132.966	3.5454	436.576744273342
Cond-012390	NSC342460	342460	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2132002642193	c1c/c(=C/N(=O)=O)/n(c(=O)n1C)C	InChI=1S/C7H9N3O3/c1-8-4-3-6(5-10(12)13)9(2)7(8)11/h3-5H,1-2H3/b6-5-	C7H9N3O3	183.165	6	0	66.69	1	1	0	-0.8713	-0.07523	1.57	-0.122	43.7058	49.327	1.2898	166.08701830405
Cond-012391	NSC343230	343230	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.16162601419	C1CCCCN1NC(=O)NN1CCCCC1	InChI=1S/C11H22N4O/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16)	C11H22N4O	226.319	5	2	47.61	2	4	0	-2.2829	0.68539	2.12	0.64	52.057	65.3694	1.8562	224.240181016161
Cond-012392	NSC343256	343256	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.3982659249695	O(C1CC2/C=C(\C=C\C=C\C(=O)NC(C/C=C/CCC(CC(=O)C2=C1O)O)c1ccccc1)/C)C	InChI=1S/C29H35NO5/c1-20-11-9-10-16-27(33)30-24(21-12-5-3-6-13-21)15-8-4-7-14-23(31)19-25(32)28-22(17-20)18-26(35-2)29(28)34/h3-6,8-13,16-17,22-24,26,31,34H,7,14-15,18-19H2,1-2H3,(H,30,33)/b8-4+,11-9+,16-10+,20-17-	C29H35NO5	477.592	6	3	95.86	3	2	0	0.837400000000003	4.33354000000001	3.99	4.832	113.436	137.6583	3.83220000000001	490.753943451508
Cond-012393	NSC343343	343343	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9284991987356	c1cc(cnc1Cl)C(=O)c1cccs1	InChI=1S/C10H6ClNOS/c11-9-4-3-7(6-12-9)10(13)8-2-1-5-14-8/h1-6H	C10H6ClNOS	223.679	2	0	58.2	2	2	0	0.8605	2.99589	2.12	2.819	19.2417	60.02	1.4868	172.691714089828
Cond-012394	NSC343344	343344	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.107350632501	c1cc(cnc1N)C(=O)c1cccs1	InChI=1S/C10H8N2OS/c11-9-4-3-7(6-12-9)10(13)8-2-1-5-14-8/h1-6H,(H2,11,12)	C10H8N2OS	204.248	3	2	84.22	2	2	0	-0.4231	2.32988	2.12	1.808	17.3616	60.4634	1.4642	168.477406527561
Cond-012395	NSC343526	343526	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.313876877556	c1(c(cc(cc1C)/C=C\1/SC(=S)NC1=O)C)O	InChI=1S/C12H11NO2S2/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16)	C12H11NO2S2	265.351	3	2	106.72	2	1	0	2.0945	2.41352	2.23	1.712	51.3836	76.5617	1.8684	230.271866329289
Cond-012396	NSC343549	343549	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4862249685505	C1CN(C(=O)c2ccc(cc2)C(C)(C)C)C2(O1)CCCCC2	InChI=1S/C19H27NO2/c1-18(2,3)16-9-7-15(8-10-16)17(21)20-13-14-22-19(20)11-5-4-6-12-19/h7-10H,4-6,11-14H2,1-3H3	C19H27NO2	301.423	3	0	29.54	3	3	1	-0.629499999999999	4.08529	3.22	6.163	54.4704	90.9680000000001	2.5051	307.242169295957
Cond-012397	NSC343550	343550	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	93.2731297956232	Brc1ccc(cc1C)n1nnnc1SCC#C	InChI=1S/C11H9BrN4S/c1-3-6-17-11-13-14-15-16(11)9-4-5-10(12)8(2)7-9/h1,4-5,7H,6H2,2H3	C11H9BrN4S	309.185	4	0	68.38	2	3	0	2.9111	2.12019	2.01	3.398	37.2691	66.541	1.878	215.623845145967
Cond-012398	NSC343557	343557	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	85.895048193723	c1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)Cl)N	InChI=1S/C13H10Cl2N2O/c14-8-5-6-12(10(15)7-8)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)	C13H10Cl2N2O	281.137	3	3	55.12	2	3	0	0.1039	4.39638	2.34	3.957	22.8948	78.5341	1.9252	229.642013187628
Cond-012399	NSC343783	343783	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9385089110016	n1cnc2c(c1NCC=C)nc(s2)SC	InChI=1S/C9H10N4S2/c1-3-4-10-7-6-8(12-5-11-7)15-9(13-6)14-2/h3,5H,1,4H2,2H3,(H,10,11,12)	C9H10N4S2	238.332	4	1	104.24	2	4	0	1.5822	3.54786	1.79	1.425	39.4431	68.5307	1.6707	185.530198375867
Cond-012400	NSC344494	344494	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	71.739967000262	Cl/N=C\1/C(=N\Cl)/C=CC=C1	InChI=1S/C6H4Cl2N2/c7-9-5-3-1-2-4-6(5)10-8/h1-4H/b9-5-,10-6?	C6H4Cl2N2	175.015	2	0	24.72	1	0	0	2.142	1.54617	1.68	1.91	44.4702	41.706	1.1178	141.8457289092
Cond-012401	NSC34488	34488	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.1391417349633	n1c(c2ncn(c2nc1)c1ccccc1)N(C)C	InChI=1S/C13H13N5/c1-17(2)12-11-13(15-8-14-12)18(9-16-11)10-6-4-3-5-7-10/h3-9H,1-2H3	C13H13N5	239.276	5	0	46.32	3	2	0	0.231	3.12127	2.34	2.747	17.1894	74.552	1.8125	200.163472869901
Cond-012402	NSC345647	345647	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	113.308995161886	c1c(c(c2c(cc(c3c2cc2c(c3O)C(=O)C(C(O2)C)C)O)O)c2c(c1O)c(c1c(c2)OC(C(C1=O)C)C)O)O	InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3	C30H26O10	546.521	10	6	173.98	6	1	1	-3.0062	5.85097	3.66	-0.0919999999999999	66.6192	152.7917	3.75500000000001	465.962007868013
Cond-012403	NSC345845	345845	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	77.2809292200073	c1cccc2c1nc(c1c2nc(cc1C)c1c(nc2c(c1N)cccc2)C)C	InChI=1S/C24H20N4/c1-13-12-20(22-15(3)27-18-10-6-4-8-16(18)23(22)25)28-24-17-9-5-7-11-19(17)26-14(2)21(13)24/h4-12H,1-3H3,(H2,25,27)	C24H20N4	364.442	4	2	64.69	5	1	1	0.7711	6.74095	3.66	5.917	21.1892	117.0274	2.8304	319.727332640669
Cond-012404	NSC345850	345850	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.946584180448	C1CCC2=NN(N(N(C2C1)C(=O)OC)C(=O)OC)c1ccccc1	InChI=1S/C16H20N4O4/c1-23-15(21)18-14-11-7-6-10-13(14)17-19(20(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3	C16H20N4O4	332.354	8	0	74.68	3	5	0	-1.0421	2.79477	2.34	3.578	55.0869	91.193	2.4132	300.652032042379
Cond-012405	NSC346578	346578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	37.9487509615355	c1cc(F)c2c(c1)c(=O)c1c(n2C)c2C=CC(Oc2cc1OC)(C)C	InChI=1S/C20H18FNO3/c1-20(2)9-8-11-14(25-20)10-15(24-4)16-18(11)22(3)17-12(19(16)23)6-5-7-13(17)21/h5-10H,1-4H3	C20H18FNO3	339.36	4	0	38.77	4	1	0	1.1874	5.14436	3.11	3.498	47.8347	99.075	2.4418	305.593645968691
Cond-012406	NSC347463	347463	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	9.88156566253082	O(C(=O)c1nc(c2oc(cc2)COC(=O)c2ccccc2)sc1)CC	InChI=1S/C18H15NO5S/c1-2-22-18(21)14-11-25-16(19-14)15-9-8-13(24-15)10-23-17(20)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3	C18H15NO5S	357.38	6	0	106.87	3	8	0	0.6186	4.00008	2.67	4.899	36.6987	97.9535	2.4888	299.843595325373
Cond-012407	NSC347463	347463	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(C(=O)c1nc(c2oc(cc2)COC(=O)c2ccccc2)sc1)CC	InChI=1S/C18H15NO5S/c1-2-22-18(21)14-11-25-16(19-14)15-9-8-13(24-15)10-23-17(20)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3	C18H15NO5S	357.38	6	0	106.87	3	8	0	0.6186	4.00008	2.67	4.899	36.6987	97.9535	2.4888	299.843595325373
Cond-012408	NSC34769	34769	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3732101069946	Clc1nc(c([nH]1)CC(=O)OC)C(=O)N	InChI=1S/C7H8ClN3O3/c1-14-4(12)2-3-5(6(9)13)11-7(8)10-3/h2H2,1H3,(H2,9,13)(H,10,11)	C7H8ClN3O3	217.61	6	3	98.07	1	4	0	-0.7096	-0.63601	1.46	0.0969999999999996	33.2712	51.2894	1.4122	170.398086074484
Cond-012409	NSC34774	34774	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0685561571539	S=c1[nH]c(c([nH]1)CC(=O)OC)C(=O)OC	InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)10-8(15)9-4/h3H2,1-2H3,(H2,9,10,15)	C8H10N2O4S	230.241	6	2	108.75	1	5	0	-0.0972000000000005	-0.42812	1.57	1.514	55.4335	57.5174	1.5531	199.685493479911
Cond-012410	NSC34777	34777	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1983402525975	O=c1[nH]c(c([nH]1)CC(=O)OC)C(=O)OC	InChI=1S/C8H10N2O5/c1-14-5(11)3-4-6(7(12)15-2)10-8(13)9-4/h3H2,1-2H3,(H2,9,10,13)	C8H10N2O5	214.175	7	2	93.73	1	5	0	-0.996300000000001	-0.59302	1.57	-0.019	47.4426	50.3154	1.4483	189.966696122872
Cond-012411	NSC34794	34794	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.775914724345	c1(nc([nH]n1)c1ccccc1)N	InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)	C8H8N4	160.176	4	3	67.59	2	1	0	-1.1703	1.43078	1.9	2.637	7.5221	49.6294	1.2028	131.2161656348
Cond-012412	NSC34865	34865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7361235430134	O=[As](c1ccc(cc1)N)(c1ccc(cc1)N(=O)=O)O	InChI=1S/C12H11AsN2O4/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(8-4-10)15(18)19/h1-8H,14H2,(H,16,17)	C12H11AsN2O4	322.148	6	3	106.46	2	3	0	-0.2294	1.03918	2.01	3.3	11.8328	72.3497	1.9657	230.214650800945
Cond-012413	NSC34871	34871	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.895276077675	O=[As](c1ccc(cc1)NC(=O)C)(c1ccc(cc1)N(=O)=O)O	InChI=1S/C14H13AsN2O5/c1-10(18)16-13-6-2-11(3-7-13)15(19,20)12-4-8-14(9-5-12)17(21)22/h2-9H,1H3,(H,16,18)(H,19,20)	C14H13AsN2O5	364.185	7	2	109.54	2	5	0	-0.1044	1.68747	2.12	3.576	20.4766	84.618	2.2632	270.960388052439
Cond-012414	NSC34875	34875	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.596143814677	c1cc(C2CC(=O)c3c(cc(cc3O)O)O2)ccc1O	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2	C15H12O5	272.253	5	3	86.99	3	1	0	-1.8144	2.13719	2.56	0.897	22.606	72.4384	1.8888	234.622774583606
Cond-012415	NSC34879	34879	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	90.0427936494313	c1ccc(cc1)C(=O)C1C(C1c1ccccc1)N(=O)=O	InChI=1S/C16H13NO3/c18-16(12-9-5-2-6-10-12)14-13(15(14)17(19)20)11-7-3-1-4-8-11/h1-10,13-15H	C16H13NO3	267.279	4	0	60.21	3	4	1	0.0548	2.82469	2.78	6.058	19.735	77.7490000000001	1.9691	242.698607315717
Cond-012416	NSC348970	348970	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.5277102457668	n1ccc(cc1)c1nc(nc(n1)NC(C)C)NCC	InChI=1S/C13H18N6/c1-4-15-12-17-11(10-5-7-14-8-6-10)18-13(19-12)16-9(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17,18,19)	C13H18N6	258.322	6	2	75.62	2	5	0	-0.4359	3.04448	2.23	2.007	31.7858	78.9464	2.0639	237.053150479667
Cond-012417	NSC34910	34910	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	47.2424096988413	n1c(c2ccccc2)cc(c2c1ccc(c2)C)C(=O)OCC	InChI=1S/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3	C19H17NO2	291.344	3	0	39.19	3	4	1	0.9036	4.5285	3.22	6.314	21.7843	91.722	2.2901	272.259875791956
Cond-012418	NSC349156	349156	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	9.54462737273066	O1c2c(OC1)cc1[C@H]3[C@H]([C@@H]([C@H]([C@H]([C@@H]3NC(=O)c1c2O)O)O)O)O.*	InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1	C14H15NO8	325.271	9	6	148.71	4	0	1	-3.7971	-1.75712	2.01	-1.535	47.5289	77.3347000000001	2.0442	261.147147669189
Cond-012419	NSC349156	349156	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O1c2c(OC1)cc1[C@H]3[C@H]([C@@H]([C@H]([C@H]([C@@H]3NC(=O)c1c2O)O)O)O)O.*	InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1	C14H15NO8	325.271	9	6	148.71	4	0	1	-3.7971	-1.75712	2.01	-1.535	47.5289	77.3347000000001	2.0442	261.147147669189
Cond-012420	NSC34983	34983	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.778210402116	c1c(cc(cc1)C)C(=O)NC(CC)C	InChI=1S/C12H17NO/c1-4-10(3)13-12(14)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,13,14)	C12H17NO	191.269	2	1	29.1	1	4	0	-0.2286	2.21131	2.56	4.02	31.0505	60.3227	1.6773	202.092967615928
Cond-012421	NSC350187	350187	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	13.9660775438811	C1(COP(=S)(OC1)Oc1cnn(c(=O)c1OC)C1CCCCC1)(C)C	InChI=1S/C16H25N2O5PS/c1-16(2)10-21-24(25,22-11-16)23-13-9-17-18(15(19)14(13)20-3)12-7-5-4-6-8-12/h9,12H,4-8,10-11H2,1-3H3	C16H25N2O5PS	388.419	7	0	111.49	3	4	0	-0.899199999999998	3.14988	2.23	4.587	91.2869	94.2665	2.7694	344.594391894607
Cond-012422	NSC350187	350187	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1(COP(=S)(OC1)Oc1cnn(c(=O)c1OC)C1CCCCC1)(C)C	InChI=1S/C16H25N2O5PS/c1-16(2)10-21-24(25,22-11-16)23-13-9-17-18(15(19)14(13)20-3)12-7-5-4-6-8-12/h9,12H,4-8,10-11H2,1-3H3	C16H25N2O5PS	388.419	7	0	111.49	3	4	0	-0.899199999999998	3.14988	2.23	4.587	91.2869	94.2665	2.7694	344.594391894607
Cond-012423	NSC350625	350625	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.7014546654279	C1Cn2c(=N1)n(c1c(c2=O)CN(CC1)Cc1ccccc1)Cc1ccccc1C	InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-22-11-13-26(15-19-8-3-2-4-9-19)17-21(22)23(29)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3	C24H26N4O	386.489	5	0	39.15	5	4	1	-0.554999999999998	2.3695	3.55	5.911	63.9655	114.463	3.0181	369.12693544363
Cond-012424	NSC351110	351110	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8105268887437	c1cn(=O)cc(c1OC)C(=O)OC	InChI=1S/C8H9NO4/c1-12-7-3-4-9(11)5-6(7)8(10)13-2/h3-5H,1-2H3	C8H9NO4	183.161	5	0	60.99	1	3	0	-0.0639000000000004	0.87869	1.79	-0.348	20.7471	48.517	1.2898	159.279709214145
Cond-012425	NSC351674	351674	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	42.3835220758576	c1(ccc(cc1)C1C=CC(=CN1Cc1ccccc1)C#N)C	InChI=1S/C20H18N2/c1-16-7-10-19(11-8-16)20-12-9-18(13-21)15-22(20)14-17-5-3-2-4-6-17/h2-12,15,20H,14H2,1H3	C20H18N2	286.37	2	0	27.03	3	3	1	0.870100000000001	3.47319	3.44	7.168	41.3676	87.0880000000001	2.3704	291.235708524068
Cond-012426	NSC351691	351691	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2045138402631	n1ccc(cc1)C(=O)NC1C(CCC(C1)C)C(C)C	InChI=1S/C16H24N2O/c1-11(2)14-5-4-12(3)10-15(14)18-16(19)13-6-8-17-9-7-13/h6-9,11-12,14-15H,4-5,10H2,1-3H3,(H,18,19)	C16H24N2O	260.375	3	1	41.99	2	4	0	0.4818	3.24059	2.89	4.137	49.8007	79.8557000000001	2.2321	269.917207626762
Cond-012427	NSC352888	352888	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.020598477029	c1(c(cc2c(c1)NC(CC2)CNC(C)C)CO)N(=O)=O	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3	C14H21N3O3	279.335	6	3	87.43	2	5	0	-0.841600000000001	2.54799	2.34	1.752	48.8492	80.6252	2.1675	263.902451984317
Cond-012428	NSC352890	352890	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.91715852180177	n1cnc2c(c1N)[nH]cc2C1OC(C(C1O)O)CO.Cl	InChI=1S/C11H14N4O4.ClH/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10;/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15);1H	C11H15ClN4O4	302.714	8	6	137.51	3	2	0	-2.8953	-1.669	1.79	-2.065	35.1388	65.9758	1.7947	208.545026314645
Cond-012429	NSC352890	352890	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1cnc2c(c1N)[nH]cc2C1OC(C(C1O)O)CO.Cl	InChI=1S/C11H14N4O4.ClH/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10;/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15);1H	C11H15ClN4O4	302.714	8	6	137.51	3	2	0	-2.8953	-1.669	1.79	-2.065	35.1388	65.9758	1.7947	208.545026314645
Cond-012430	NSC353451	353451	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.723809635606	n1c(C(=O)N)c2n(c1)c(=O)n(nn2)CCCl	InChI=1S/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)	C7H7ClN6O2	242.622	8	2	105.94	2	3	0	-0.0741999999999998	0.30969	1.24	-1.178	37.1383	56.7974	1.5013	179.605222596823
Cond-012431	NSC354261	354261	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	32.0461925927154	N1=N[C@@H]2[C@@H]3C(=C([C@H]([C@@H]2N1c1ccccc1)CCC3)C(=O)OC)C(=O)OC	InChI=1S/C19H21N3O4/c1-25-18(23)14-12-9-6-10-13(15(14)19(24)26-2)17-16(12)20-21-22(17)11-7-4-3-5-8-11/h3-5,7-8,12-13,16-17H,6,9-10H2,1-2H3/t12-,13+,16+,17-/m0/s1	C19H21N3O4	355.388	7	0	80.56	3	5	0	-0.593400000000001	3.37067	2.78	2.783	63.1926	96.639	2.5845	326.550308310213
Cond-012432	NSC354844	354844	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1c(cc2c(c1OC)c1c(oc2=O)c2c(c(c1)OC)c(ccc2C1OC(C(C(C1O)(O)C)O)C)O)C=C	InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3	C28H28O9	508.517	9	4	134.91	5	4	0	-1.4782	3.88707000000001	3.55	2.972	70.4738	141.5812	3.60910000000001	451.109188018119
Cond-012433	NSC354844	354844	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.036306467845	c1c(cc2c(c1OC)c1c(oc2=O)c2c(c(c1)OC)c(ccc2C1OC(C(C(C1O)(O)C)O)C)O)C=C	InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3	C28H28O9	508.517	9	4	134.91	5	4	0	-1.4782	3.88707000000001	3.55	2.972	70.4738	141.5812	3.60910000000001	451.109188018119
Cond-012434	NSC35534	35534	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.8227046973729	O=c1[nH]c(c2nnoc2n1)/C=N\O	InChI=1S/C5H3N5O3/c11-5-7-2(1-6-12)3-4(8-5)13-10-9-3/h1,12H,(H,7,8,11)/b6-1-	C5H3N5O3	181.109	8	2	112.97	2	1	0	-1.2718	-2.52372	1.13	-0.299	33.5942	40.9662	1.056	127.59565206705
Cond-012435	NSC35545	35545	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.97826613623	N1(CC[C@]23[C@H]([C@H]1Cc1c2c(c(cc1)OC)O)CCC(=O)C3)C	InChI=1S/C18H23NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,13-14,21H,4-5,7-10H2,1-2H3/t13-,14+,18-/m0/s1	C18H23NO3	301.38	4	1	49.77	4	1	0	-0.731900000000001	2.50189	3	1.172	60.2219	86.6668000000001	2.3143	286.379952669851
Cond-012436	NSC35582	35582	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	116.284585712775	c1cccc2c1nc(SCSc1sc3c(cccc3)n1)s2	InChI=1S/C15H10N2S4/c1-3-7-12-10(5-1)16-14(20-12)18-9-19-15-17-11-6-2-4-8-13(11)21-15/h1-8H,9H2	C15H10N2S4	346.513	2	0	132.86	4	4	1	2.3679	5.44896	2.45	5.086	35.4079	90.107	2.2973	249.908340325934
Cond-012437	NSC35676	35676	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.023175558434	O=c1c2c(c(c(cc2cccc1O)O)O)O	InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)	C11H8O5	220.178	5	4	97.99	2	0	0	-1.2722	1.16667	2.12	1.017	35.2825	57.2022	1.4768	191.331753481739
Cond-012438	NSC35679	35679	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7329141628299	n1c2c(c3ncccc3cc2)ccc1	InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H	C12H8N2	180.205	2	0	25.78	3	0	0	0	3.59338	2.56	2.838	0	59.126	1.3722	149.877207619534
Cond-012439	NSC357683	357683	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.894052338798	OC12C3C(C=C2)C(OC1=O)OC(=C3)C(=O)N	InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)	C10H9NO5	223.182	6	3	98.85	3	1	0	-1.3446	-1.11173	1.9	-0.712	49.738	52.0152	1.4131	188.848987764839
Cond-012440	NSC358311	358311	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.502209708029	O=C(c1c(n(c(=O)[nH]c1=O)C)N)/C=C/c1ccccc1	InChI=1S/C14H13N3O3/c1-17-12(15)11(13(19)16-14(17)20)10(18)8-7-9-5-3-2-4-6-9/h2-8H,15H2,1H3,(H,16,19,20)	C14H13N3O3	271.271	6	3	92.5	2	3	0	-1.02	0.59817	2.34	3.539	47.5317	74.9091	1.9955	253.356617181117
Cond-012441	NSC359472	359472	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.2271575821582	n1c(nc(nc1NC(=O)c1ccccc1)NC(=O)c1ccccc1)CCC	InChI=1S/C20H19N5O2/c1-2-9-16-21-19(23-17(26)14-10-5-3-6-11-14)25-20(22-16)24-18(27)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H2,21,22,23,24,25,26,27)	C20H19N5O2	361.397	7	2	96.87	3	8	1	-1.7943	4.70756	2.89	6.436	26.6049	107.9589	2.7442	328.269983848891
Cond-012442	NSC35964	35964	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.17378130238	O=C1N(C(=O)C2C1CC=CC2)COC(=O)NC	InChI=1S/C11H14N2O4/c1-12-11(16)17-6-13-9(14)7-4-2-3-5-8(7)10(13)15/h2-3,7-8H,4-6H2,1H3,(H,12,16)	C11H14N2O4	238.24	6	1	75.71	2	4	0	-0.4313	-0.22472	2.01	-0.152	58.399	60.1987	1.7037	220.707964599111
Cond-012443	NSC361056	361056	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2071441618971	c1cn(=O)c(cc1)S(=O)(=O)CC#N	InChI=1S/C7H6N2O3S/c8-4-6-13(11,12)7-3-1-2-5-9(7)10/h1-3,5H,6H2	C7H6N2O3S	198.199	5	0	91.77	1	2	0	-0.6156	0.99248	1.57	-0.389	20.8451	42.484	1.3105	160.062823452683
Cond-012444	NSC361570	361570	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.03187547729	S(C(=O)NC(=O)NC(=O)c1ccc(cc1)N(=O)=O)C	InChI=1S/C10H9N3O5S/c1-19-10(16)12-9(15)11-8(14)6-2-4-7(5-3-6)13(17)18/h2-5H,1H3,(H2,11,12,14,15,16)	C10H9N3O5S	283.261	8	2	143.71	1	7	0	0.9967	0.97419	1.57	2.766	37.2069	72.7329	1.8644	235.255073537973
Cond-012445	NSC362093	362093	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.4693525713524	Clc1c(oc2c(c1=O)c(nn2c1ccccc1)C)C	InChI=1S/C14H11ClN2O2/c1-8-11-13(18)12(15)9(2)19-14(11)17(16-8)10-6-4-3-5-7-10/h3-7H,1-2H3	C14H11ClN2O2	274.702	4	0	43.6	3	1	0	0.864	3.3244	2.45	3.861	35.6906	75.216	1.8938	228.160698042823
Cond-012446	NSC362639	362639	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.0171329734217	c1ccc(c(c1)c1c(=O)[nH]c(=O)[nH]n1)n1c(=O)[nH]c(=O)c(n1)C(=O)O	InChI=1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)	C13H8N6O6	344.239	12	4	169.63	3	3	1	-1.9534	-0.51212	1.57	1.41	50.1937	84.4089	2.1355	277.792217179034
Cond-012447	NSC36317	36317	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.080608561869	N1(CCN(CC1)C(=O)Nc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OC	InChI=1S/C20H24N4O4/c1-27-17-7-3-15(4-8-17)21-19(25)23-11-13-24(14-12-23)20(26)22-16-5-9-18(28-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)	C20H24N4O4	384.429	8	2	83.14	3	8	0	-1.3126	3.88357	2.78	2.34	53.3656	110.5114	2.8908	353.663053144247
Cond-012448	NSC363801	363801	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7052471615736	c1(c(c(n2c(n1)ccn2)O)CCc1ccccc1)C	InChI=1S/C15H15N3O/c1-11-13(8-7-12-5-3-2-4-6-12)15(19)18-14(17-11)9-10-16-18/h2-6,9-10,19H,7-8H2,1H3	C15H15N3O	253.299	4	1	50.42	3	3	0	0.1172	3.0239	2.67	4.892	20.9259	75.602	1.9534	221.552148405862
Cond-012449	NSC36425	36425	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.949911581417	O=C1C2(C(C(C1NC(=S)NN)CC2)(C)C)C	InChI=1S/C11H19N3OS/c1-10(2)6-4-5-11(10,3)8(15)7(6)13-9(16)14-12/h6-7H,4-5,12H2,1-3H3,(H2,13,14,16)	C11H19N3OS	241.353	4	4	99.24	2	3	0	0.453299999999999	0.95189	2.12	1.313	65.7537	69.7068	1.8769	229.115986164795
Cond-012450	NSC364889	364889	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	56.3315354433566	c1cc(c2c(c1)CNc1c(O2)ccc(c1)C(=O)OCC)OC	InChI=1S/C17H17NO4/c1-3-21-17(19)11-7-8-14-13(9-11)18-10-12-5-4-6-15(20-2)16(12)22-14/h4-9,18H,3,10H2,1-2H3	C17H17NO4	299.321	5	1	56.79	3	4	0	-0.353099999999999	4.27488	2.78	3.06	33.2293	89.4467	2.2117	271.421277342945
Cond-012451	NSC36508	36508	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	80.788209958862	O=C1CC2OC(C3C2(CO1)C1CCC2(C4(C1(C(=O)C3)C)OC4C(=O)OC2c1ccoc1)C)(C)C	InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3	C26H30O8	470.512	8	0	104.57	7	1	0	-0.448399999999998	3.03019	3.44	1.644	98.3224	116.623	3.2664	417.996368168225
Cond-012452	NSC36520	36520	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.331096761581	O=c1n(c(=O)c2n(c(nc2n1C)C(O)C)C)C	InChI=1S/C10H14N4O3/c1-5(15)7-11-8-6(12(7)2)9(16)14(4)10(17)13(8)3/h5,15H,1-4H3	C10H14N4O3	238.243	7	1	78.67	2	1	0	-0.8905	0.60758	1.79	-0.765	46.7334	64.3258	1.7037	205.715273689017
Cond-012453	NSC36525	36525	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	63.6166025085624	n1(c(=O)n(c2c(c1=O)[nH]c(n2)COc1ccc(cc1)C(C)(C)C)C)C	InChI=1S/C18H22N4O3/c1-18(2,3)11-6-8-12(9-7-11)25-10-13-19-14-15(20-13)21(4)17(24)22(5)16(14)23/h6-9H,10H2,1-5H3,(H,19,20)	C18H22N4O3	342.392	7	1	78.53	3	4	0	0.446700000000002	3.03568	2.67	4.033	55.0356	100.02	2.5933	312.917315892752
Cond-012454	NSC365560	365560	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	33.453759995521	S=C1C(=O)C(=C1SC)N(C)C	InChI=1S/C7H9NOS2/c1-8(2)4-5(9)6(10)7(4)11-3/h1-3H3	C7H9NOS2	187.282	2	0	77.7	1	2	0	0.8564	1.23528	1.79	0.982	55.4385	54.806	1.3428	166.167551302595
Cond-012455	NSC36582	36582	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.576916560106	O1c2ccccc2OCC1C(=O)NCC=C	InChI=1S/C12H13NO3/c1-2-7-13-12(14)11-8-15-9-5-3-4-6-10(9)16-11/h2-6,11H,1,7-8H2,(H,13,14)	C12H13NO3	219.237	4	1	47.56	2	4	0	-0.3694	1.78947	2.34	1.588	33.5741	64.5937	1.6431	204.68050361545
Cond-012456	NSC36586	36586	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	43.6358074409252	O=c1c2c(occ1c1ccc(cc1)O)cc(cc2O)O	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	C15H10O5	270.237	5	3	86.99	3	1	0	-2.0476	2.70607	2.56	1.512	22.9991	74.8344	1.8458	231.986315882806
Cond-012457	NSC366086	366086	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8420818506552	c1nnc(s1)N1C(=O)CSC1c1cccs1	InChI=1S/C9H7N3OS3/c13-7-4-15-8(6-2-1-3-14-6)12(7)9-11-10-5-16-9/h1-3,5,8H,4H2	C9H7N3OS3	269.366	4	0	127.87	3	2	0	1.0674	2.31038	1.68	1.655	38.5615	66.62	1.6845	189.476230225061
Cond-012458	NSC366289	366289	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	48.1252164298908	c1ccc2n3c1nc(C(Cl)(Cl)Cl)nc3nc(n2)C	InChI=1S/C10H6Cl3N5/c1-5-14-6-3-2-4-7-16-8(10(11,12)13)17-9(15-5)18(6)7/h2-4H,1H3	C10H6Cl3N5	302.547	5	0	52.68	3	1	0	0.7436	2.11154	1.68	1.122	71.6618	77.486	1.8	229.2451810044
Cond-012459	NSC366801	366801	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.664578871513	C1CC1c1nn(c(c1)NC(=O)Nc1ccc(cc1)Cl)C(C)(C)C	InChI=1S/C17H21ClN4O/c1-17(2,3)22-15(10-14(21-22)11-4-5-11)20-16(23)19-13-8-6-12(18)7-9-13/h6-11H,4-5H2,1-3H3,(H2,19,20,23)	C17H21ClN4O	332.828	5	2	58.95	3	6	0	1.3685	6.42145	2.67	4.123	49.6631	98.7134	2.5004	295.888404336996
Cond-012460	NSC366802	366802	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.079941708469	C1CC1c1nn(c(c1)NC(=O)Nc1ccccc1)C(C)(C)C	InChI=1S/C17H22N4O/c1-17(2,3)21-15(11-14(20-21)12-9-10-12)19-16(22)18-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,22)	C17H22N4O	298.383	5	2	58.95	3	6	0	0.624199999999999	5.76805	2.78	4.238	44.0475	93.7034	2.378	280.677336566562
Cond-012461	NSC366807	366807	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.559379668426	c1csc(c1)c1nnc([nH]1)SCC=C	InChI=1S/C9H9N3S2/c1-2-5-14-9-10-8(11-12-9)7-4-3-6-13-7/h2-4,6H,1,5H2,(H,10,11,12)	C9H9N3S2	223.318	3	1	95.11	2	4	0	1.4799	3.11437	1.9	2.734	33.7464	63.745	1.5709	174.5334381677
Cond-012462	NSC366808	366808	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.1000929302595	c1csc(c1)c1nnc([nH]1)SC	InChI=1S/C7H7N3S2/c1-11-7-8-6(9-10-7)5-3-2-4-12-5/h2-4H,1H3,(H,8,9,10)	C7H7N3S2	197.281	3	1	95.11	2	2	0	0.8631	2.63198	1.68	2.384	24.5837	54.875	1.3321	142.577927616767
Cond-012463	NSC36693	36693	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.284582178902	C1(=O)C2(CCCC3(C2C(CC(C3(CCc2ccoc2)O)C)O1)C)C	InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1	C20H28O4	332.434	4	1	59.67	4	3	0	-0.0834999999999981	3.95509	3.22	3.241	71.1479	92.4378000000001	2.598	321.40184711478
Cond-012464	NSC367306	367306	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4901016543711	Fc1c(Cl)c(c(cc1Cl)NC(=O)NC(=O)c1c(F)cccc1F)F	InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)	C14H6Cl2F4N2O2	381.109	4	2	58.2	2	5	0	2.6562	4.70978	1.9	4.702	29.6053	82.3179	2.1526	277.362001214482
Cond-012465	NSC367416	367416	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	O(c1ccc2c(n1)Sc1c(N2)nc2c(n1)cccc2)C	InChI=1S/C14H10N4OS/c1-19-11-7-6-10-13(18-11)20-14-12(16-10)15-8-4-2-3-5-9(8)17-14/h2-7H,1H3,(H,15,16)	C14H10N4OS	282.32	5	1	85.23	4	1	0	0.1184	4.08516	2.34	2.851	18.4093	75.7097	1.9242	218.769030644162
Cond-012466	NSC367416	367416	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	11.8391372622601	O(c1ccc2c(n1)Sc1c(N2)nc2c(n1)cccc2)C	InChI=1S/C14H10N4OS/c1-19-11-7-6-10-13(18-11)20-14-12(16-10)15-8-4-2-3-5-9(8)17-14/h2-7H,1H3,(H,15,16)	C14H10N4OS	282.32	5	1	85.23	4	1	0	0.1184	4.08516	2.34	2.851	18.4093	75.7097	1.9242	218.769030644162
Cond-012467	NSC367428	367428	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	79.8517902035139	O=C1NC(=O)C(C(N1)OC)(F)C(=O)OC	InChI=1S/C7H9FN2O5/c1-14-4-7(8,5(12)15-2)3(11)9-6(13)10-4/h4H,1-2H3,(H2,9,10,11,13)	C7H9FN2O5	220.155	7	2	93.73	1	3	0	-0.464800000000001	-1.72241	1.35	-0.278	40.5413	46.1804	1.3681	181.374729048112
Cond-012468	NSC367469	367469	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.776494483335	S1CCN(CC1)C(=S)SCc1c2OCOCc2cc(c1)Cl	InChI=1S/C14H16ClNO2S3/c15-12-5-10-7-17-9-18-13(10)11(6-12)8-21-14(19)16-1-3-20-4-2-16/h5-6H,1-4,7-9H2	C14H16ClNO2S3	361.93	3	0	104.39	3	4	0	2.4751	3.6499	2.23	3.471	72.3814	95.342	2.4135	291.500386109856
Cond-012469	NSC367474	367474	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.658659265933	c1c([nH]c2n(c1=O)nc(c2)c1ccc(cc1)C(C)(C)C)C	InChI=1S/C17H19N3O/c1-11-9-16(21)20-15(18-11)10-14(19-20)12-5-7-13(8-6-12)17(2,3)4/h5-10,18H,1-4H3	C17H19N3O	281.352	4	1	46.92	3	2	1	0.854799999999999	4.36017	2.89	5.455	45.172	88.2477000000001	2.2352	267.044117657595
Cond-012470	NSC367480	367480	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	74.8406109206313	n1[nH]c(cc1c1ccccc1)NC(=O)c1ccc(cc1)Cl	InChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)	C16H12ClN3O	297.739	4	2	57.78	3	4	1	-0.3109	4.11738	2.67	5.987	16.3571	88.0097	2.1307	248.786283400562
Cond-012471	NSC367487	367487	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8497866693752	c1coc(c1)c1nnc([nH]1)SCC#C	InChI=1S/C9H7N3OS/c1-2-6-14-9-10-8(11-12-9)7-4-3-5-13-7/h1,3-5H,6H2,(H,10,11,12)	C9H7N3OS	205.236	4	1	80.01	2	3	0	0.7926	1.27437	1.9	1.671	25.189	51.006	1.4231	162.178182109861
Cond-012472	NSC36753	36753	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.53501089729	O=c1n([nH]c(=O)cc1CC(=O)OCC)c1ccccc1	InChI=1S/C14H14N2O4/c1-2-20-13(18)9-10-8-12(17)15-16(14(10)19)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,15,17)	C14H14N2O4	274.272	6	1	75.71	2	5	0	-0.807700000000001	1.63117	2.34	2.324	44.7378	74.8007	1.9974	253.786542374312
Cond-012473	NSC36758	36758	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	175.869570117011	c1c(ccc2c1[s+]c1c(n2)cc(c(c1)N)C)N(C)C.[Cl-]	InChI=1S/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1	C15H16ClN3S	305.826	3	2	42.15	3	1	0	0.1099	4.4326	2.67	2.704	24.0156	82.1874	2.0797	232.589175113301
Cond-012474	NSC36815	36815	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0914246919013	N1(CCN(CC1)C(=O)Nc1ccc(cc1)N(=O)=O)C	InChI=1S/C12H16N4O3/c1-14-6-8-15(9-7-14)12(17)13-10-2-4-11(5-3-10)16(18)19/h2-5H,6-9H2,1H3,(H,13,17)	C12H16N4O3	264.28	7	1	78.72	2	4	0	0.1943	1.43118	2.01	1.354	41.2761	76.1557000000001	1.9425	237.67078423995
Cond-012475	NSC36818	36818	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.566573823433	N1(CCN(CC1)C(=O)Nc1cc(ccc1C)NC(=O)N1CCN(CC1)C)C	InChI=1S/C19H30N6O2/c1-15-4-5-16(20-18(26)24-10-6-22(2)7-11-24)14-17(15)21-19(27)25-12-8-23(3)9-13-25/h4-5,14H,6-13H2,1-3H3,(H,20,26)(H,21,27)	C19H30N6O2	374.481	8	2	71.16	3	6	0	-0.289600000000001	2.1261	2.67	0.25	80.2743	109.8654	2.9611	359.589511635991
Cond-012476	NSC369066	369066	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccn2c(n1)nc(c2N=O)c1cc(ccc1)N(=O)=O	InChI=1S/C12H7N5O3/c18-15-11-10(14-12-13-5-2-6-16(11)12)8-3-1-4-9(7-8)17(19)20/h1-7H	C12H7N5O3	269.216	8	0	102.76	3	3	0	0.65	3.06278	1.9	2.577	8.2309	74.207	1.7617	203.965250944117
Cond-012477	NSC369066	369066	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.75821462521257	c1ccn2c(n1)nc(c2N=O)c1cc(ccc1)N(=O)=O	InChI=1S/C12H7N5O3/c18-15-11-10(14-12-13-5-2-6-16(11)12)8-3-1-4-9(7-8)17(19)20/h1-7H	C12H7N5O3	269.216	8	0	102.76	3	3	0	0.65	3.06278	1.9	2.577	8.2309	74.207	1.7617	203.965250944117
Cond-012478	NSC369070	369070	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)NC(=C(S2)N=O)c1cccc(c1)N(=O)=O	InChI=1S/C14H9N3O3S/c18-16-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)21-14/h1-8,15H	C14H9N3O3S	299.305	6	1	109.9	3	3	0	0.8373	3.96738	2.23	4.972	24.1135	81.5547	2.0074	245.972723837117
Cond-012479	NSC369070	369070	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.47474292828925	c1ccc2c(c1)NC(=C(S2)N=O)c1cccc(c1)N(=O)=O	InChI=1S/C14H9N3O3S/c18-16-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)21-14/h1-8,15H	C14H9N3O3S	299.305	6	1	109.9	3	3	0	0.8373	3.96738	2.23	4.972	24.1135	81.5547	2.0074	245.972723837117
Cond-012480	NSC36923	36923	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8142288144558	O=C1N(C2=CC[C@H]3[C@H]4[C@@]([C@](CC4)(O)C)(CC[C@@H]3[C@]2(CC1)C)C)C	InChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3/t13-,14+,15+,18-,19+,20+/m1/s1	C20H31NO2	317.466	3	1	40.54	4	0	0	0.341299999999997	3.88608000000001	3.33	2.855	92.0792	93.4528000000001	2.6234	328.354612622624
Cond-012481	NSC369986	369986	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.620251252873	C1CCN(CC1)c1nnn(n1)CC(=O)N/N=C/c1c(cccc1)O	InChI=1S/C15H19N7O2/c23-13-7-3-2-6-12(13)10-16-17-14(24)11-22-19-15(18-20-22)21-8-4-1-5-9-21/h2-3,6-7,10,23H,1,4-5,8-9,11H2,(H,17,24)	C15H19N7O2	329.357	9	2	108.53	3	6	0	-2.1455	1.05607	2.12	2.404	46.0743	92.8235	2.4113	285.22941593909
Cond-012482	NSC37003	37003	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2135921412466	c1c(c(ccc1S(=O)(=O)N(C)C)C)N(=O)=O	InChI=1S/C9H12N2O4S/c1-7-4-5-8(6-9(7)11(12)13)16(14,15)10(2)3/h4-6H,1-3H3	C9H12N2O4S	244.268	6	0	88.9	1	3	0	0.5702	1.30072	1.68	1.508	31.9271	55.445	1.694	206.081478105778
Cond-012483	NSC370367	370367	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.8984581242961	[nH]1ccn(c1=S)c1ccccc1Cl	InChI=1S/C9H7ClN2S/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h1-6H,(H,11,13)	C9H7ClN2S	210.683	2	1	47.36	2	1	0	0.4415	2.43189	2.01	3.681	32.3511	58.5347	1.43	171.138721672367
Cond-012484	NSC370383	370383	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.5296696669	c1c(c2n(n1)ccn2C1OC(C(C1O)O)CO)C#N	InChI=1S/C11H12N4O4/c12-3-6-4-13-15-2-1-14(10(6)15)11-9(18)8(17)7(5-16)19-11/h1-2,4,7-9,11,16-18H,5H2	C11H12N4O4	264.237	8	3	115.94	3	2	0	-1.4813	-1.19601	1.79	-1.674	39.3909	62.9534	1.7517	205.908567613845
Cond-012485	NSC370387	370387	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.912871469649	[nH]1cnc2c(c1=O)c(n[nH]2)C#N	InChI=1S/C6H3N5O/c7-1-3-4-5(11-10-3)8-2-9-6(4)12/h2H,(H2,8,9,10,11,12)	C6H3N5O	161.121	6	2	93.93	2	0	0	-1.0547	-0.42823	1.46	-0.892	24.4911	42.7272	1.0365	124.674724590995
Cond-012486	NSC371178	371178	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	119.615174569935	C1(NC(=O)N(C1=O)CNc1ccc(cc1)C(=O)NCCN(CC)CC)(c1ccccc1)c1ccccc1	InChI=1S/C29H33N5O3/c1-3-33(4-2)20-19-30-26(35)22-15-17-25(18-16-22)31-21-34-27(36)29(32-28(34)37,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,31H,3-4,19-21H2,1-2H3,(H,30,35)(H,32,37)	C29H33N5O3	499.604	8	3	93.78	4	12	2	-1.344	3.01779	3.77	6.668	64.4659	145.4051	3.9194	477.731154780653
Cond-012487	NSC37168	37168	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.079048794686	c1c(c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)O	InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)	C17H12N2O4	308.288	6	2	92.47	3	4	1	-0.435	4.13338	2.67	5.595	13.8961	91.8005	2.1825	263.608661448712
Cond-012488	NSC371765	371765	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.620251252873	n1(nc(c(n1)C)C(=O)Nc1ccc2c(c1)cn[nH]2)c1ccccc1	InChI=1S/C17H14N6O/c1-11-16(22-23(21-11)14-5-3-2-4-6-14)17(24)19-13-7-8-15-12(9-13)10-18-20-15/h2-10H,1H3,(H,18,20)(H,19,24)	C17H14N6O	318.333	7	2	87.97	4	4	0	-0.6025	2.9946	2.56	3.76	19.372	94.4917	2.297	257.968563478896
Cond-012489	NSC37187	37187	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.9150173626994	Clc1ccc(c(c1)NC(=O)c1cc2ccccc2cc1O)C	InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)	C18H14ClNO2	311.762	3	2	49.33	3	3	1	0.2912	5.10231	3	5.916	21.1238	92.1885	2.2716	270.174958936523
Cond-012490	NSC372063	372063	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.3451852516098	C1(C(=C(C(=N)O1)O)O)c1ccccc1	InChI=1S/C10H9NO3/c11-10-8(13)7(12)9(14-10)6-4-2-1-3-5-6/h1-5,9,11-13H	C10H9NO3	191.183	4	3	73.54	2	1	0	-0.6417	1.64528	2.12	3.659	24.4763	50.7163	1.3613	170.088534363717
Cond-012491	NSC372134	372134	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9299001804275	c1c(Cl)cc(c(c1)C)NC(=O)N(C)CCO	InChI=1S/C11H15ClN2O2/c1-8-3-4-9(12)7-10(8)13-11(16)14(2)5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)	C11H15ClN2O2	242.702	4	2	52.57	1	5	0	0.423800000000001	2.07681	2.12	1.323	38.746	67.1895	1.8173	219.795037669222
Cond-012492	NSC372146	372146	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.607140665706	C(=C)(c1nc(nc(n1)Oc1ccccc1)Oc1ccccc1)C	InChI=1S/C18H15N3O2/c1-13(2)16-19-17(22-14-9-5-3-6-10-14)21-18(20-16)23-15-11-7-4-8-12-15/h3-12H,1H2,2H3	C18H15N3O2	305.331	5	0	57.13	3	5	1	0.8457	6.52374	2.89	5.612	17.6674	93.75	2.3058	274.320952881623
Cond-012493	NSC37219	37219	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	51.2876859905052	c1c2cc(ccc2ccc1)OCCOCCOc1cc2ccccc2cc1	InChI=1S/C24H22O3/c1-3-7-21-17-23(11-9-19(21)5-1)26-15-13-25-14-16-27-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2	C24H22O3	358.43	3	0	27.69	4	8	1	-0.4159	6.46898000000001	3.77	8.478	23.7061	113.827	2.8019	330.640348012085
Cond-012494	NSC372221	372221	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.130177989238	c1cc(c(c(c1)C)n1cnc(nc1=O)NC)C	InChI=1S/C12H14N4O/c1-8-5-4-6-9(2)10(8)16-7-14-11(13-3)15-12(16)17/h4-7H,1-3H3,(H,13,15,17)	C12H14N4O	230.266	5	1	57.06	2	2	0	-0.014899999999999	1.26151	2.23	1.722	39.9942	71.7577	1.7821	217.453872138028
Cond-012495	NSC372275	372275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.292055568411	c1c(ccc(c1)C1C(=c2c(O1)nc1c([nH]2)cc(c(c1)C)C)O)OC	InChI=1S/C19H18N2O3/c1-10-8-14-15(9-11(10)2)21-19-16(20-14)17(22)18(24-19)12-4-6-13(23-3)7-5-12/h4-9,18,20,22H,1-3H3	C19H18N2O3	322.358	5	2	63.08	4	2	1	0.2864	3.83071	3	5.119	43.8185	90.9245	2.383	293.226862700685
Cond-012496	NSC372287	372287	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.3748956200696	c1ccc(c(c1)C1Oc2c(=C1O)[nH]c1c(n2)cc(cc1)N(=O)=O)OC	InChI=1S/C17H13N3O5/c1-24-13-5-3-2-4-10(13)16-15(21)14-17(25-16)19-12-8-9(20(22)23)6-7-11(12)18-14/h2-8,16,18,21H,1H3	C17H13N3O5	339.302	8	2	106.22	4	3	0	-0.3375	4.05917	2.45	4.571	36.7043	95.3655	2.2754	284.57564835744
Cond-012497	NSC372499	372499	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	82.0531645963514	c1cc(cc(c1)C1Oc2c(=C1O)[nH]c1c(n2)cc(c(c1)C)C)O	InChI=1S/C18H16N2O3/c1-9-6-13-14(7-10(9)2)20-18-15(19-13)16(22)17(23-18)11-4-3-5-12(21)8-11/h3-8,17,19,21-22H,1-2H3	C18H16N2O3	308.331	5	3	74.08	4	1	0	-0.122099999999999	3.29821	2.89	4.6	39.0673	88.2135	2.2421	275.930878074818
Cond-012498	NSC372767	372767	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.284961442146	Brc1ccc(cc1)c1cnc(o1)c1ccc(cc1)N(=O)=O	InChI=1S/C15H9BrN2O3/c16-12-5-1-10(2-6-12)14-9-17-15(21-14)11-3-7-13(8-4-11)18(19)20/h1-9H	C15H9BrN2O3	345.148	5	0	69.17	3	3	1	1.3948	5.19699	2.45	5.141	14.1082	86.48	2.06	242.146543174784
Cond-012499	NSC372769	372769	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.8411021400884	Clc1ccc(c(c1)Cl)C(=O)Nc1cccc(c1)C#C	InChI=1S/C15H9Cl2NO/c1-2-10-4-3-5-12(8-10)18-15(19)13-7-6-11(16)9-14(13)17/h1,3-9H,(H,18,19)	C15H9Cl2NO	290.144	2	1	29.1	2	3	0	1.6187	4.87507	2.67	4.681	26.4369	81.4117	2.0212	247.964304829595
Cond-012500	NSC373427	373427	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.74384099778	c1(c(cc(cc1)S(=O)(=O)N(C)C)N(=O)=O)N	InChI=1S/C8H11N3O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,9H2,1-2H3	C8H11N3O4S	245.256	7	2	114.92	1	3	0	-0.8217	0.80019	1.46	1.224	30.6471	55.9514	1.6529	199.782253688078
Cond-012501	NSC373535	373535	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.171641695276	O=C(c1ccccc1)NC1CCC(=O)NC1=O	InChI=1S/C12H12N2O3/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17)	C12H12N2O3	232.235	5	2	75.27	2	3	0	-1.8034	0.18999	2.23	2.008	30.6081	63.1014	1.6999	213.040805122817
Cond-012502	NSC373600	373600	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.111850377164	O=S1(=O)Cc2n(C1)c(c(c2COC(=O)NC(C)C)COC(=O)NC(C)C)C	InChI=1S/C17H27N3O6S/c1-10(2)18-16(21)25-6-13-12(5)20-9-27(23,24)8-15(20)14(13)7-26-17(22)19-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)	C17H27N3O6S	401.478	9	2	124.11	2	10	0	0.0041999999999987	1.45191	2.23	1.3	83.6188	98.7904	2.9298	360.670110021202
Cond-012503	NSC37408	37408	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.693801273568	O1c2c(c(ccc2C(=O)C1)O)O	InChI=1S/C8H6O4/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,9,11H,3H2	C8H6O4	166.131	4	2	66.76	2	0	0	-1.5403	0.64129	1.9	-0.181	16.6563	42.6186	1.0814	135.926490305178
Cond-012504	NSC37433	37433	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	8.93499989575361	c1cccc(c1C(=O)/C=C/c1cc(c(cc1)O)O)O	InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H	C15H12O4	256.253	4	3	77.76	2	3	0	-1.2836	2.48518	2.67	3.193	23.2833	73.2024	1.8957	235.552547883045
Cond-012505	NSC37433	37433	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cccc(c1C(=O)/C=C/c1cc(c(cc1)O)O)O	InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H	C15H12O4	256.253	4	3	77.76	2	3	0	-1.2836	2.48518	2.67	3.193	23.2833	73.2024	1.8957	235.552547883045
Cond-012506	NSC374703	374703	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	44.8553229492172	C1CCC=C(C1)OP(=O)(c1ccccc1)c1ccccc1	InChI=1S/C18H19O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h2-3,6-10,12-15H,1,4-5,11H2	C18H19O2P	298.316	2	0	36.11	3	4	1	-0.034700000000001	3.53628	3.11	6.118	27.1662	83.4475	2.34	279.967301767523
Cond-012507	NSC374814	374814	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.543482059355	O(c1ccc(c(c1)NC(=O)N(CC=C)CC=C)OC)C	InChI=1S/C15H20N2O3/c1-5-9-17(10-6-2)15(18)16-13-11-12(19-3)7-8-14(13)20-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,18)	C15H20N2O3	276.331	5	1	50.8	1	9	0	0.7069	2.96016	2.56	2.166	54.293	83.0887	2.2312	277.285217701217
Cond-012508	NSC375105	375105	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.60276708476	c1ccc2c(c1)c1c(n2CC)ccc2c1ncc1n2ccc1	InChI=1S/C19H15N3/c1-2-21-15-8-4-3-7-14(15)18-16(21)9-10-17-19(18)20-12-13-6-5-11-22(13)17/h3-12H,2H2,1H3	C19H15N3	285.342	3	0	21.7	5	1	1	0.3449	5.40137	3.22	5.078	23.3375	95.0380000000001	2.1551	241.060025405568
Cond-012509	NSC3753	3753	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.905133514796	n1c2c(c(cc1OS(=O)(=O)c1ccc(cc1)C)N)CCC2	InChI=1S/C15H16N2O3S/c1-10-5-7-11(8-6-10)21(18,19)20-15-9-13(16)12-3-2-4-14(12)17-15/h5-9H,2-4H2,1H3,(H2,16,17)	C15H16N2O3S	304.364	5	2	90.66	3	3	0	-0.4707	4.47638	2.45	2.55	31.9448	77.7844	2.1775	260.181324357217
Cond-012510	NSC375392	375392	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.413371272484	c1(ccc(cc1)C(=N)Nc1ccccc1)C	InChI=1S/C14H14N2/c1-11-7-9-12(10-8-11)14(15)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,15,16)	C14H14N2	210.274	2	2	35.88	2	3	1	0.1654	3.7496	2.78	5.99	14.2007	68.7044	1.7626	207.725635572067
Cond-012511	NSC37553	37553	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	74.6101702685372	N1(CCN(CC1)C(=O)Nc1cccc(c1)c1ccccc1)C(=O)Nc1cc(c2ccccc2)ccc1	InChI=1S/C30H28N4O2/c35-29(31-27-15-7-13-25(21-27)23-9-3-1-4-10-23)33-17-19-34(20-18-33)30(36)32-28-16-8-14-26(22-28)24-11-5-2-6-12-24/h1-16,21-22H,17-20H2,(H,31,35)(H,32,36)	C30H28N4O2	476.569	6	2	64.68	5	8	1	-1.209	7.29717000000001	4.1	10.11	38.734	150.0474	3.70720000000001	446.710776395392
Cond-012512	NSC375981	375981	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4140146939705	c1(ccc(cc1)C(=O)Nc1cc(c(cc1)NC(=O)c1occc1)O)N	InChI=1S/C18H15N3O4/c19-12-5-3-11(4-6-12)17(23)20-13-7-8-14(15(22)10-13)21-18(24)16-2-1-9-25-16/h1-10,22H,19H2,(H,20,23)(H,21,24)	C18H15N3O4	337.329	7	5	117.59	3	6	0	-2.6339	3.64048	2.67	2.56	23.2888	96.8401	2.4232	291.901406282746
Cond-012513	NSC375982	375982	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1459621253255	C1CCN(CC1)C(=O)Nc1ccc(c(c1)NC(=O)N1CCCCC1)C	InChI=1S/C19H28N4O2/c1-15-8-9-16(20-18(24)22-10-4-2-5-11-22)14-17(15)21-19(25)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13H2,1H3,(H,20,24)(H,21,25)	C19H28N4O2	344.451	6	2	64.68	3	6	0	-2.295	4.6031	2.89	2.692	61.7057	102.5734	2.7615	337.595991219657
Cond-012514	NSC375997	375997	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.566384576886	c1(cnc2n(c1C)c(=N)n(n2)c1ccccc1)O	InChI=1S/C12H11N5O/c1-8-10(18)7-14-12-15-17(11(13)16(8)12)9-5-3-2-4-6-9/h2-7,13,18H,1H3	C12H11N5O	241.249	6	2	75.28	3	1	0	-0.6994	2.13435	2.12	3.598	41.7347	73.0125	1.7303	213.457714944595
Cond-012515	NSC37612	37612	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	9.2915847961396	c1ccc2c(c1)cc(c(c2)O)C(=O)NC1CCCCC1	InChI=1S/C17H19NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h4-7,10-11,14,19H,1-3,8-9H2,(H,18,20)	C17H19NO2	269.338	3	2	49.33	3	3	1	-2.5855	3.57629	3	5.204	27.962	82.9735000000001	2.1373	256.477282642623
Cond-012516	NSC37612	37612	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)cc(c(c2)O)C(=O)NC1CCCCC1	InChI=1S/C17H19NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h4-7,10-11,14,19H,1-3,8-9H2,(H,18,20)	C17H19NO2	269.338	3	2	49.33	3	3	1	-2.5855	3.57629	3	5.204	27.962	82.9735000000001	2.1373	256.477282642623
Cond-012517	NSC376254	376254	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	111.066512748459	O=C1[C@H]2[C@H](N(C(=O)c3c2cc(c(c3)OC)OC)C)c2c1cc(OS(=O)(=O)C)c(c2)OC	InChI=1S/C21H21NO8S/c1-22-19-11-7-16(29-4)17(30-31(5,25)26)8-12(11)20(23)18(19)10-6-14(27-2)15(28-3)9-13(10)21(22)24/h6-9,18-19H,1-5H3/t18-,19-/m1/s1	C21H21NO8S	447.458	9	0	116.82	4	5	0	-1.4373	2.86569	2.67	0.083	63.1396	112.2055	3.022	379.282229304657
Cond-012518	NSC37627	37627	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.409322690335	O(c1c2c(C(=O)c3c(Oc4ccccc4)cccc3C2=O)ccc1)c1ccccc1	InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H	C26H16O4	392.403	4	0	52.6	5	4	1	-0.8358	7.01657	3.88	7.428	13.9302	119.9245	2.8618	351.12025046038
Cond-012519	NSC37641	37641	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.473973909605	O=C1C=C[C@@]2([C@@]3(F)[C@H](C[C@@]4([C@@]5(OC(O[C@@H]5C[C@H]4[C@@H]3CCC2=C1)(C)c1ccccc1)C(=O)CO)C)O)C	InChI=1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27?,28-,29+/m0/s1	C29H33FO6	496.567	6	2	93.06	6	3	0	-0.711199999999999	3.30077	3.88	3.709	104.6172	130.2386	3.612	465.454968794209
Cond-012520	NSC37812	37812	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	89.6509511884698	c1cccc2c1nc(c1cccnc1)s2	InChI=1S/C12H8N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H	C12H8N2S	212.27	2	0	54.02	3	1	0	0.5906	3.81189	2.45	3.093	7.7935	64.776	1.5357	168.386231677134
Cond-012521	NSC378711	378711	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.515813567666	C1(N2CCOCC2)(CC1)NC(=O)c1ccc(Cl)cc1	InChI=1S/C14H17ClN2O2/c15-12-3-1-11(2-4-12)13(18)16-14(5-6-14)17-7-9-19-10-8-17/h1-4H,5-10H2,(H,16,18)	C14H17ClN2O2	280.75	4	1	41.57	3	4	0	-0.541	1.86049	2.45	2.046	44.5468	76.2967	2.0228	246.970074145223
Cond-012522	NSC378717	378717	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(ccc(cc1)C(=O)c1ccc(n1C)/C=C(/SC)\S(=O)C)C	InChI=1S/C17H19NO2S2/c1-12-5-7-13(8-6-12)17(19)15-10-9-14(18(15)2)11-16(21-3)22(4)20/h5-11H,1-4H3	C17H19NO2S2	333.468	3	0	83.58	2	5	0	1.2448	4.38059	2.78	4.045	56.1543	97.6215	2.5299	303.215330757823
Cond-012523	NSC378717	378717	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.34504252159426	c1(ccc(cc1)C(=O)c1ccc(n1C)/C=C(/SC)\S(=O)C)C	InChI=1S/C17H19NO2S2/c1-12-5-7-13(8-6-12)17(19)15-10-9-14(18(15)2)11-16(21-3)22(4)20/h5-11H,1-4H3	C17H19NO2S2	333.468	3	0	83.58	2	5	0	1.2448	4.38059	2.78	4.045	56.1543	97.6215	2.5299	303.215330757823
Cond-012524	NSC378719	378719	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.760970238157	Clc1c(c(Cl)c2c(c1)oc1c2CCC(=O)/C/1=C\Nc1ccc(cc1)OC)O	InChI=1S/C20H15Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-5,8-9,23,25H,6-7H2,1H3/b13-9+	C20H15Cl2NO4	404.243	5	2	71.7	4	3	0	-0.0134000000000003	5.99946	2.89	3.294	49.1315	110.4075	2.6846	325.201990659013
Cond-012525	NSC37883	37883	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.953212009235	NC(=O)C(CC)(CC)SCC=C	InChI=1S/C9H17NOS/c1-4-7-12-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H2,10,11)	C9H17NOS	187.302	2	2	68.39	0	6	0	-0.0834000000000006	2.10978	2.12	1.26	50.018	58.1354	1.6127	197.243413898328
Cond-012526	NSC379099	379099	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	73.1692880743003	Clc1c(c(Cl)c2c(c1)oc1c2ccc(c1/C=N/c1ccc(cc1)OC)O)O	InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3	C20H13Cl2NO4	402.228	5	2	75.19	4	3	0	0.3279	6.25757	2.89	4.034	32.8463	112.7148	2.6416	311.665531958212
Cond-012527	NSC379388	379388	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.691496432084	O(c1c(OC)cc(cc1)Cc1nnc(n1c1ccc(F)cc1)SC)C	InChI=1S/C18H18FN3O2S/c1-23-15-9-4-12(10-16(15)24-2)11-17-20-21-18(25-3)22(17)14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3	C18H18FN3O2S	359.418	5	0	73.95	3	6	1	1.1446	4.09908	2.67	5.061	36.7577	99.354	2.573	304.17045319113
Cond-012528	NSC379468	379468	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.513837976043	c1cc(c(c(c1)Cl)NC(=O)Nc1ccc(nc1)C)Cl	InChI=1S/C13H11Cl2N3O/c1-8-5-6-9(7-16-8)17-13(19)18-12-10(14)3-2-4-11(12)15/h2-7H,1H3,(H2,17,18,19)	C13H11Cl2N3O	296.152	4	2	54.02	2	4	0	1.3004	5.31849	2.23	3.307	26.9063	81.6274	2.025	240.638773395795
Cond-012529	NSC379536	379536	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.05928266949	FC(F)(c1ccc(c(c1)NC(=O)C/C(=N/O)/N)Cl)F	InChI=1S/C10H9ClF3N3O2/c11-6-2-1-5(10(12,13)14)3-7(6)16-9(18)4-8(15)17-19/h1-3,19H,4H2,(H2,15,17)(H,16,18)	C10H9ClF3N3O2	295.646	5	4	87.71	1	5	0	0.6495	2.92668	1.57	2.285	35.0173	65.8176	1.7863	229.062031101642
Cond-012530	NSC379538	379538	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.712068287868	c1(cnc(n2c1=NC(N2)c1ccc(cc1)Cl)SC)C#N	InChI=1S/C13H10ClN5S/c1-20-13-16-7-9(6-15)12-17-11(18-19(12)13)8-2-4-10(14)5-3-8/h2-5,7,11,18H,1H3	C13H10ClN5S	303.77	5	1	89.08	3	2	0	-0.0988	2.14406	2.12	2.239	55.0834	83.3487	2.0554	253.047105997134
Cond-012531	NSC37955	37955	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.79705208918876	c1(cc(cc(c1OCC=C)C(=O)N)CCC)CCC	InChI=1S/C16H23NO2/c1-4-7-12-10-13(8-5-2)15(19-9-6-3)14(11-12)16(17)18/h6,10-11H,3-5,7-9H2,1-2H3,(H2,17,18)	C16H23NO2	261.359	3	2	52.32	1	8	0	-0.418399999999999	3.14988	2.89	4.398	51.2714	81.3934	2.2566	277.430674119156
Cond-012532	NSC37955	37955	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1(cc(cc(c1OCC=C)C(=O)N)CCC)CCC	InChI=1S/C16H23NO2/c1-4-7-12-10-13(8-5-2)15(19-9-6-3)14(11-12)16(17)18/h6,10-11H,3-5,7-9H2,1-2H3,(H2,17,18)	C16H23NO2	261.359	3	2	52.32	1	8	0	-0.418399999999999	3.14988	2.89	4.398	51.2714	81.3934	2.2566	277.430674119156
Cond-012533	NSC379555	379555	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.83894192755	c1ccc(c(c1)O)C1NC(=O)C(=C(S1)Nc1ccccc1Cl)C#N	InChI=1S/C17H12ClN3O2S/c18-12-6-2-3-7-13(12)20-17-11(9-19)15(23)21-16(24-17)10-5-1-4-8-14(10)22/h1-8,16,20,22H,(H,21,23)	C17H12ClN3O2S	357.814	5	3	110.45	3	3	0	0.2678	4.43117	2.56	3.465	43.2306	97.6934	2.4508	301.64506008379
Cond-012534	NSC379639	379639	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.486283003475	c1ccc2c(c1Cl)c(nc1n2nnc1C#N)N	InChI=1S/C10H5ClN6/c11-5-2-1-3-7-8(5)9(13)14-10-6(4-12)15-16-17(7)10/h1-3H,(H2,13,14)	C10H5ClN6	244.64	6	2	92.89	3	0	0	0.0423	2.26137	1.79	0.954	18.9343	66.0254	1.569	171.8468882701
Cond-012535	NSC379651	379651	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.154150332651	c1c([nH]c2n(c1=O)nc(c2)c1ccco1)c1ccccc1	InChI=1S/C16H11N3O2/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,17H	C16H11N3O2	277.277	5	1	60.06	4	2	0	-1.295	3.68407	2.67	4.169	21.9318	81.6837	1.9584	230.00898362989
Cond-012536	NSC379696	379696	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8807484469981	O=S(=O)(/N=C(/SC)\NNC(=O)c1c(onc1c1c(Cl)cccc1Cl)C)c1ccccc1	InChI=1S/C19H16Cl2N4O4S2/c1-11-15(17(24-29-11)16-13(20)9-6-10-14(16)21)18(26)22-23-19(30-2)25-31(27,28)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,22,26)(H,23,25)	C19H16Cl2N4O4S2	499.391	8	2	147.34	3	8	1	0.8025	4.5302	2.23	5.431	56.6558	122.8094	3.2357	387.634334772846
Cond-012537	NSC379697	379697	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.004851411905	n1ccc(cc1)C1NC(=O)C(=C(S1)Nc1ccccc1Cl)C#N	InChI=1S/C16H11ClN4OS/c17-12-3-1-2-4-13(12)20-16-11(9-18)14(22)21-15(23-16)10-5-7-19-8-6-10/h1-8,15,20H,(H,21,22)	C16H11ClN4OS	342.803	5	2	103.11	3	3	0	0.7281	3.69527	2.45	2.821	40.666	91.1384	2.351	286.555608965529
Cond-012538	NSC38007	38007	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3273087691052	n1c(c2ccc(Cl)cc2)cc(c2c1cccc2)O	InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H,(H,17,18)	C15H10ClNO	255.699	2	1	33.12	3	1	0	0.284	5.08498	2.78	4.51	8.1802	78.198	1.8332	212.133237059162
Cond-012539	NSC380279	380279	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.19763376629	C1CN(c2scnn2)C(=O)N1c1n(c(cn1)N(=O)=O)C	InChI=1S/C9H9N7O3S/c1-13-6(16(18)19)4-10-7(13)14-2-3-15(9(14)17)8-12-11-5-20-8/h4-5H,2-3H2,1H3	C9H9N7O3S	295.278	10	0	138.53	3	3	0	0.761700000000001	1.54276	1.24	-0.0580000000000001	39.6452	76.476	1.8311	211.38921764285
Cond-012540	NSC38042	38042	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.6472081235827	c1c(c(c(cc1OCC(=O)O)C)NC(=O)C)C	InChI=1S/C12H15NO4/c1-7-4-10(17-6-11(15)16)5-8(2)12(7)13-9(3)14/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)	C12H15NO4	237.252	5	2	75.63	1	5	0	0.0634000000000002	2.55392	2.23	1.204	37.2705	66.9695	1.8104	225.827189016811
Cond-012541	NSC380802	380802	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	111.025010097809	c1cc(cc(c1)C1=NON(C2N1C=C(C=C2)C)c1ccc(cn1)C)N(=O)=O	InChI=1S/C19H17N5O3/c1-13-6-8-17(20-11-13)23-18-9-7-14(2)12-22(18)19(21-27-23)15-4-3-5-16(10-15)24(25)26/h3-12,18H,1-2H3	C19H17N5O3	363.37	8	0	84.1	4	3	1	1.6778	4.03328	2.67	5.376	49.9462	102.465	2.5964	320.944225923585
Cond-012542	NSC38090	38090	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.36956550334473	n1(c(c(nc1)N(=O)=O)S(=O)(=O)Oc1c2ccccc2ccc1)C	InChI=1S/C14H11N3O5S/c1-16-9-15-13(17(18)19)14(16)23(20,21)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3	C14H11N3O5S	333.319	8	0	112.71	3	4	0	0.3828	3.58917	2.01	2.974	22.4765	81.344	2.1678	255.289635939039
Cond-012543	NSC38090	38090	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1(c(c(nc1)N(=O)=O)S(=O)(=O)Oc1c2ccccc2ccc1)C	InChI=1S/C14H11N3O5S/c1-16-9-15-13(17(18)19)14(16)23(20,21)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3	C14H11N3O5S	333.319	8	0	112.71	3	4	0	0.3828	3.58917	2.01	2.974	22.4765	81.344	2.1678	255.289635939039
Cond-012544	NSC382035	382035	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.664515908536	n1c(nc(c(c1N)c1ccc(c(c1)N(=O)=O)N(C)Cc1ccccc1)CC)N	InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)	C20H22N6O2	378.428	8	4	124.2	3	6	0	-0.9493	4.35517	2.78	4.617	34.4514	116.0668	2.887	341.903202757858
Cond-012545	NSC382059	382059	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.017221440362	c1sc2c(n1)C1(CC(=O)N(C1=CC2)C)C	InChI=1S/C11H12N2OS/c1-11-5-9(14)13(2)8(11)4-3-7-10(11)12-6-15-7/h4,6H,3,5H2,1-2H3	C11H12N2OS	220.291	3	0	61.44	3	0	0	0.4485	2.26817	2.23	0.271	48.1152	62.654	1.5825	189.589849854228
Cond-012546	NSC38352	38352	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.806972929743	N1CCCCC1C(c1ccccc1)C(c1ccccc1)(C)O	InChI=1S/C20H25NO/c1-20(22,17-12-6-3-7-13-17)19(16-10-4-2-5-11-16)18-14-8-9-15-21-18/h2-7,10-13,18-19,21-22H,8-9,14-15H2,1H3	C20H25NO	295.419	2	2	32.26	3	4	1	-1.6632	3.4789	3.44	7.369	34.3179	90.0595000000001	2.5013	299.575009819663
Cond-012547	NSC38490	38490	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	41.5863597477944	s1c2ccccc2nc1CC(=O)C(=O)OCC	InChI=1S/C12H11NO3S/c1-2-16-12(15)9(14)7-11-13-8-5-3-4-6-10(8)17-11/h3-6H,2,7H2,1H3	C12H11NO3S	249.286	4	0	84.5	2	5	0	0.6232	2.61008	2.23	2.152	33.9709	69.248	1.7636	209.65306897225
Cond-012548	NSC38743	38743	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.907139855354	O=C1NC(c2ccccc2)(C(=O)N1)CCC(=O)O	InChI=1S/C12H12N2O4/c15-9(16)6-7-12(8-4-2-1-3-5-8)10(17)13-11(18)14-12/h1-5H,6-7H2,(H,15,16)(H2,13,14,17,18)	C12H12N2O4	248.235	6	3	95.5	2	4	0	-0.9855	0.47889	2.12	1.707	33.4074	64.1292	1.7586	221.831031823378
Cond-012549	NSC38845	38845	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2604531835646	n1cc2[nH]c(nc2nc1)SCc1ccccc1	InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)7-17-12-15-10-6-13-8-14-11(10)16-12/h1-6,8H,7H2,(H,13,14,15,16)	C12H10N4S	242.3	4	1	79.76	3	3	0	0.1818	2.63418	2.23	3.496	15.8057	69.445	1.7353	190.379752093467
Cond-012550	NSC38968	38968	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.933254592589	N1CCN(CC1)CCN	InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2	C6H15N3	129.203	3	3	41.29	1	2	0	-1.0875	-1.1497	1.79	-1.309	38.6933	38.3641	1.1448	132.9661883797
Cond-012551	NSC38983	38983	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.818647042375	O1C(CCC=C1)C(=O)OCC1OC=CCC1	InChI=1S/C12H16O4/c13-12(11-6-2-4-8-15-11)16-9-10-5-1-3-7-14-10/h3-4,7-8,10-11H,1-2,5-6,9H2	C12H16O4	224.253	4	0	44.76	2	4	0	-0.766399999999999	2.00127	2.34	1.863	54.8102	60.156	1.688	218.646887509445
Cond-012552	NSC39047	39047	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.769340589962	O(c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N	InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)	C14H12N2O3	256.257	5	4	95.41	2	4	0	-1.4237	2.14588	2.45	1.702	16.5021	75.0763	1.8957	231.45985697295
Cond-012553	NSC39336	39336	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.4263108161597	n1c(=S)c2ncn(c2[nH]c1N)CCCC	InChI=1S/C9H13N5S/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h5H,2-4H2,1H3,(H3,10,12,13,15)	C9H13N5S	223.298	5	3	100.32	2	3	0	-0.84	1.90928	1.79	0.848	43.2642	66.1621	1.65	191.554393227234
Cond-012554	NSC3961	3961	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	21.299313515056	c1c2c(=S)[nH]cnc2n(c2ccccc2)n1	InChI=1S/C11H8N4S/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)	C11H8N4S	228.273	4	1	73.78	3	1	0	0.2433	2.13788	2.12	2.383	25.8814	68.8497	1.5944	183.9837674676
Cond-012555	NSC39938	39938	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.016981028574	O=C1c2c3c(snc3c3cccc(c13)C(=O)O)ccc2	InChI=1S/C15H7NO3S/c17-14-8-4-2-6-10-12(8)13(16-20-10)7-3-1-5-9(11(7)14)15(18)19/h1-6H,(H,18,19)	C15H7NO3S	281.286	4	1	95.5	4	1	0	0.087	2.68028	2.56	2.836	20.3588	75.9053000000001	1.8401	218.01872934585
Cond-012556	NSC39984	39984	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	94.5059261858909	n1c(c2ccc(Cl)cc2)cc(c2c1ccc(c2)OC)C(=O)O	InChI=1S/C17H12ClNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)	C17H12ClNO3	313.735	4	1	59.42	3	3	0	0.4527	4.68398	2.78	4.055	20.1507	90.6468000000001	2.1894	261.669201011217
Cond-012557	NSC400770	400770	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	84.4367580978878	c1cc(ccc1c1ccc(cc1)C(=O)c1ccccc1)O	InChI=1S/C19H14O2/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,20H	C19H14O2	274.313	2	1	37.3	3	3	1	-0.7241	4.30699	3.33	6.889	7.9106	87.3228	2.1473	258.62665688299
Cond-012558	NSC400938	400938	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	55.9288520011965	N(=N\c1ccc(cc1)C)/c1c2nn[nH]c2ccc1O	InChI=1S/C13H11N5O/c1-8-2-4-9(5-3-8)14-16-13-11(19)7-6-10-12(13)17-18-15-10/h2-7,19H,1H3,(H,15,17,18)	C13H11N5O	253.259	6	2	86.52	3	2	0	-0.2387	3.29849	2.23	4.41	11.3667	74.519	1.8282	206.317240869662
Cond-012559	NSC401077	401077	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.204065259149	O=C1N(C(=O)c2c1cccc2)C(C(=O)O)Cc1c2c([nH]c1)cccc2	InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)	C19H14N2O4	334.325	6	2	90.47	4	4	0	-1.5132	2.61698	2.89	3.346	31.0905	95.0848	2.3557	285.844171999646
Cond-012560	NSC40269	40269	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	43.171935565416	n1ccn(c2ccccc2)c1C(c1ccccc1)(c1ccccc1)O	InChI=1S/C22H18N2O/c25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-23-16-17-24(21)20-14-8-3-9-15-20/h1-17,25H	C22H18N2O	326.391	3	1	37.53	4	4	1	-0.732	4.23929	3.55	7.92	7.7656	98.6948	2.5593	297.824987074763
Cond-012561	NSC40275	40275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	48.8215724849445	c1c(cccc1)Nc1cc2ccccc2cc1C(=O)O	InChI=1S/C17H13NO2/c19-17(20)15-10-12-6-4-5-7-13(12)11-16(15)18-14-8-2-1-3-9-14/h1-11,18H,(H,19,20)	C17H13NO2	263.291	3	2	49.33	3	3	1	-0.6602	4.85008	3	6.452	10.5193	83.8965	2.0083	237.667906540223
Cond-012562	NSC402843	402843	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.1387926886324	O=[As](c1cccc(c1)C(=O)O)(C)O	InChI=1S/C8H9AsO4/c1-9(12,13)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)(H,12,13)	C8H9AsO4	244.076	4	2	74.6	1	2	0	-0.2771	0.51708	1.79	1.567	16.6367	48.0691	1.4401	170.203026684345
Cond-012563	NSC40306	40306	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	20.94681733745	Clc1c(c2nc(c3ccccc3)cc(c2cc1)C(=O)O)C	InChI=1S/C17H12ClNO2/c1-10-14(18)8-7-12-13(17(20)21)9-15(19-16(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)	C17H12ClNO2	297.736	3	1	50.19	3	2	1	1.1465	4.75811	2.89	5.244	18.337	88.0008	2.1307	252.878974310656
Cond-012564	NSC40306	40306	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c(c2nc(c3ccccc3)cc(c2cc1)C(=O)O)C	InChI=1S/C17H12ClNO2/c1-10-14(18)8-7-12-13(17(20)21)9-15(19-16(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)	C17H12ClNO2	297.736	3	1	50.19	3	2	1	1.1465	4.75811	2.89	5.244	18.337	88.0008	2.1307	252.878974310656
Cond-012565	NSC403268	403268	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	104.713439480907	S=C1NC(=O)/C(=C\c2ccccc2C(=O)O)/S1	InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-3-1-2-4-7(6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)	C11H7NO3S2	265.308	4	2	123.79	2	2	0	1.031	1.65928	2.01	2.321	45.0341	71.6695	1.7432	219.129649703184
Cond-012566	NSC403374	403374	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.69797685331136	Clc1ccc(cc1)NC(=S)NC(=N)N	InChI=1S/C8H9ClN4S/c9-5-1-3-6(4-2-5)12-8(14)13-7(10)11/h1-4H,(H5,10,11,12,13,14)	C8H9ClN4S	228.702	4	5	106.02	1	4	0	1.0575	2.11738	1.68	2.268	32.2488	64.4515	1.5973	188.192716163634
Cond-012567	NSC403374	403374	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc(cc1)NC(=S)NC(=N)N	InChI=1S/C8H9ClN4S/c9-5-1-3-6(4-2-5)12-8(14)13-7(10)11/h1-4H,(H5,10,11,12,13,14)	C8H9ClN4S	228.702	4	5	106.02	1	4	0	1.0575	2.11738	1.68	2.268	32.2488	64.4515	1.5973	188.192716163634
Cond-012568	NSC403379	403379	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.1159593630751	n1c2ccccc2c(=O)n(c1N)C(=N)N	InChI=1S/C9H9N5O/c10-8(11)14-7(15)5-3-1-2-4-6(5)13-9(14)12/h1-4H,(H3,10,11)(H2,12,13)	C9H9N5O	203.201	6	5	108.56	2	1	0	-0.5512	-0.15185	1.79	1.542	24.8409	59.6445	1.4592	176.562678468595
Cond-012569	NSC403447	403447	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.656212336447	[nH]1c2ccccc2nc1CCCCCc1nc2c([nH]1)cccc2	InChI=1S/C19H20N4/c1(2-12-18-20-14-8-4-5-9-15(14)21-18)3-13-19-22-16-10-6-7-11-17(16)23-19/h4-11H,1-3,12-13H2,(H,20,21)(H,22,23)	C19H20N4	304.389	4	2	57.36	4	6	1	-2.2808	4.64647000000001	3.11	5.395	21.158	97.434	2.4065	267.049703015335
Cond-012570	NSC40383	40383	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.209491298648	n1c(c2c(nc1)[nH]nc2)N(c1cccnc1)C	InChI=1S/C11H10N6/c1-17(8-3-2-4-12-5-8)11-9-6-15-16-10(9)13-7-14-11/h2-7H,1H3,(H,13,14,15,16)	C11H10N6	226.237	6	1	70.59	3	2	0	-0.3049	1.96618	2.01	1.246	11.8947	65.881	1.6305	176.568263826334
Cond-012571	NSC40467	40467	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.963671500124	c1cc(c2cssc2=S)ccc1C	InChI=1S/C10H8S3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3	C10H8S3	224.366	0	0	82.69	2	1	0	2.35	3.59521	2.23	4.686	42.3617	64.777	1.5759	188.248166226667
Cond-012572	NSC40500	40500	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.531183946846	N1(C(=O)OCC1)Cc1cc(c(cc1)OC)OC	InChI=1S/C12H15NO4/c1-15-10-4-3-9(7-11(10)16-2)8-13-5-6-17-12(13)14/h3-4,7H,5-6,8H2,1-2H3	C12H15NO4	237.252	5	0	48	2	4	0	-0.1528	0.91449	2.23	1.2	37.561	63.402	1.7448	216.107189016811
Cond-012573	NSC40614	40614	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.0324883831744	c1ccccc1/C=C(/c1ccccc1)\C(=O)O	InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)	C15H12O2	224.255	2	1	37.3	2	3	1	0.0324	3.25408	2.89	7.253	16.3178	69.7798000000001	1.7783	217.972094481923
Cond-012574	NSC40669	40669	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.955492867614	n1c(=S)c2ncn(c2[nH]c1N)CCC	InChI=1S/C8H11N5S/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)	C8H11N5S	209.271	5	3	100.32	2	2	0	-0.552	1.51918	1.68	0.279	40.3526	61.5451	1.5091	174.258408601367
Cond-012575	NSC407282	407282	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.4516280253237	N1CC2c3n(c(=O)ccc3)CC(C2)C1	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	C11H14N2O	190.242	3	1	32.34	3	0	0	-1.1881	0.59427	2.34	-0.251	55.2389	56.1057	1.462	184.617284497428
Cond-012576	NSC40749	40749	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	30.9006311258671	N(=N\c1[nH]c(nc1C)/N=N/c1ccccc1)/c1ccccc1	InChI=1S/C16H14N6/c1-12-15(21-19-13-8-4-2-5-9-13)18-16(17-12)22-20-14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)	C16H14N6	290.323	6	1	78.12	3	4	1	0.0191000000000001	4.93959	2.56	7.243	9.0325	87.648	2.206	255.138810853267
Cond-012577	NSC407628	407628	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	150.723398310694	c1cc2ccc3c4c2c(c1)ccc4ccc3C(=O)CCC(=O)O	InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)	C20H14O3	302.323	3	1	54.37	4	4	1	-0.434	4.81068	3.33	6.575	21.6637	94.3233000000001	2.2383	261.456409508618
Cond-012578	NSC40817	40817	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	94.9134965308297	O1C(CCC(=C1)C)(/C=N/CC(=C)C)C	InChI=1S/C12H19NO/c1-10(2)7-13-9-12(4)6-5-11(3)8-14-12/h8-9H,1,5-7H2,2-4H3/b13-9+	C12H19NO	193.285	2	0	21.59	1	3	0	1.6188	2.85627	2.56	1.303	59.3197	60.929	1.7203	215.629426316728
Cond-012579	NSC40840	40840	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.548735791417	n1c(nc(cc1N)N)CS	InChI=1S/C5H8N4S/c6-3-1-4(7)9-5(2-10)8-3/h1,10H,2H2,(H4,6,7,8,9)	C5H8N4S	156.209	4	4	116.62	1	1	0	-0.9772	0.1912	1.46	0.19	21.848	44.0978	1.1382	126.3666119172
Cond-012580	NSC408734	408734	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.905138619278	n1c(c(/N=N/c2ccc(cc2)C(=O)O)c(nc1N)N)N	InChI=1S/C11H11N7O2/c12-8-7(9(13)16-11(14)15-8)18-17-6-3-1-5(2-4-6)10(19)20/h1-4H,(H,19,20)(H6,12,13,14,15,16)	C11H11N7O2	273.251	9	7	165.86	2	3	0	-2.4895	2.01326	1.68	0.993	19.8856	78.765	1.9133	225.765477435623
Cond-012581	NSC408860	408860	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.944665765189	c1c(c(ccc1)C(=O)Nc1cc(ccc1)N(=O)=O)C(=O)O	InChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)	C14H10N2O5	286.24	7	2	109.54	2	5	0	-0.2145	2.97278	2.23	3.701	18.5508	79.5890000000001	1.9701	246.403851673273
Cond-012582	NSC41066	41066	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.463694220843	c1cccc(c1C(=O)Nc1ccccc1N(=O)=O)C(=O)O	InChI=1S/C14H10N2O5/c17-13(9-5-1-2-6-10(9)14(18)19)15-11-7-3-4-8-12(11)16(20)21/h1-8H,(H,15,17)(H,18,19)	C14H10N2O5	286.24	7	2	109.54	2	5	0	-0.2145	2.97278	2.23	4.559	18.5508	79.5890000000001	1.9701	246.403851673273
Cond-012583	NSC41092	41092	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.933542790053	n1c(c([nH]c1)/C=C/c1ccccc1)N(=O)=O	InChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)	C11H9N3O2	215.208	5	1	71.82	2	3	1	0.7075	2.13568	2.12	5.363	17.5086	62.173	1.5571	184.414895303756
Cond-012584	NSC41098	41098	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=C1C(=C(Cl)C(=O)c2c1cccc2)NCCc1ccccc1	InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,20H,10-11H2	C18H14ClNO2	311.762	3	1	46.17	3	4	1	-0.2911	3.24288	3	6.625	37.5185	88.8822	2.2716	281.074958936523
Cond-012585	NSC41098	41098	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.4782607372584	O=C1C(=C(Cl)C(=O)c2c1cccc2)NCCc1ccccc1	InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,20H,10-11H2	C18H14ClNO2	311.762	3	1	46.17	3	4	1	-0.2911	3.24288	3	6.625	37.5185	88.8822	2.2716	281.074958936523
Cond-012586	NSC41148	41148	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.48062142166	c1(c(cc(cc1OC)c1c2cc(c(cc2c(cc1C(=O)O)O)OC)OC)OC)OC	InChI=1S/C22H22O8/c1-26-16-9-12-13(10-17(16)27-2)20(14(22(24)25)8-15(12)23)11-6-18(28-3)21(30-5)19(7-11)29-4/h6-10,23H,1-5H3,(H,24,25)	C22H22O8	414.405	8	2	103.68	3	7	0	-0.959099999999999	4.34098	3	1.846	46.3629	117.0928	2.9652	365.892429664757
Cond-012587	NSC41331	41331	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.778210402116	O=c1nc([nH]c(c1)SCCCC)N	InChI=1S/C8H13N3OS/c1-2-3-4-13-7-5-6(12)10-8(9)11-7/h5H,2-4H2,1H3,(H3,9,10,11,12)	C8H13N3OS	199.273	4	3	92.78	1	4	0	-0.7913	0.86337	1.79	2.047	48.4531	59.0021	1.5198	186.948032287195
Cond-012588	NSC4135	4135	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.638532272746	c1c(c2cc([nH]n2)N(=O)=O)cccn1	InChI=1S/C8H6N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)	C8H6N4O2	190.159	6	1	84.71	2	2	0	0.2397	1.36729	1.68	1.638	7.19	52.772	1.2772	146.160160335123
Cond-012589	NSC41376	41376	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.066357584552	O=[As](c1ccccc1)(c1ccc(cc1)O)O	InChI=1S/C12H11AsO3/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9,14H,(H,15,16)	C12H11AsO3	278.136	3	2	57.53	2	2	0	-0.5999	0.83349	2.34	3.691	6.2853	59.9651	1.7504	202.06736238485
Cond-012590	NSC41378	41378	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.412757207727	O=[As](c1ccccc1)(c1cccc(c1)N)O	InChI=1S/C12H12AsNO2/c14-12-8-4-7-11(9-12)13(15,16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)	C12H12AsNO2	277.151	3	3	63.32	2	2	0	-0.8895	0.71009	2.34	3.624	7.9428	62.7127	1.7915	204.273895892456
Cond-012591	NSC41400	41400	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.161393272597	[As](=O)(c1cc(ccc1)NC(=O)C)(c1cccc(c1)NC(=O)C)c1cccc(c1)NC(=O)C	InChI=1S/C24H24AsN3O4/c1-16(29)26-22-10-4-7-19(13-22)25(32,20-8-5-11-23(14-20)27-17(2)30)21-9-6-12-24(15-21)28-18(3)31/h4-15H,1-3H3,(H,26,29)(H,27,30)(H,28,31)	C24H24AsN3O4	493.387	7	3	104.37	3	9	0	-1.898	3.25527	3.22	4.479	40.0406	128.5546	3.4327	412.324474314713
Cond-012592	NSC41649	41649	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	100.842217723546	c1c(cccc1)CNCC(c1ccccc1)CCl	InChI=1S/C16H18ClN/c17-11-16(15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16,18H,11-13H2	C16H18ClN	259.774	1	1	12.03	2	6	1	0.0525999999999998	3.4593	3	7.059	25.855	77.2957	2.11	249.168371086867
Cond-012593	NSC41805	41805	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4887613281921	c1cc(ccc1N)S(=O)(=O)Nc1cnc2c(cccc2)n1	InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)	C14H12N4O2S	300.336	6	3	106.35	3	3	0	-1.6864	3.53197	2.23	2.082	15.3637	78.1811	2.0915	239.915716045523
Cond-012594	NSC41833	41833	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5512936937305	c1(cc([nH]c(=N)n1)C)O	InChI=1S/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)	C5H7N3O	125.129	4	3	68.47	1	0	0	-0.3322	0.20597	1.57	0.39	32.2798	36.7142	0.9336	116.551054351995
Cond-012595	NSC42014	42014	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.220642344698	[nH]1c(nc(=O)cc1C(=O)O)SCCCC	InChI=1S/C9H12N2O3S/c1-2-3-4-15-9-10-6(8(13)14)5-7(12)11-9/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)	C9H12N2O3S	228.268	5	2	104.06	1	5	0	-0.9759	1.03177	1.79	2	54.4593	62.4505	1.6353	208.191251405217
Cond-012596	NSC42021	42021	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.920184209255	n1c(cc(nc1N)SCCCC)C	InChI=1S/C9H15N3S/c1-3-4-5-13-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12)	C9H15N3S	197.301	3	2	77.1	1	4	0	-0.2329	2.84411	2.01	2.468	34.1822	58.0644	1.602	184.5537902125
Cond-012597	NSC42028	42028	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9623887735289	S=c1[nH]c(=S)[nH]c(c1)C	InChI=1S/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)	C5H6N2S2	158.245	2	2	88.24	1	0	0	1.4008	0.62149	1.57	1.145	46.1696	44.9544	1.1021	133.782115558467
Cond-012598	NSC42096	42096	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.276371755989	O=[As](c1cccc(c1)O)(c1cccc(c1)O)O	InChI=1S/C12H11AsO4/c14-11-5-1-3-9(7-11)13(16,17)10-4-2-6-12(15)8-10/h1-8,14-15H,(H,16,17)	C12H11AsO4	294.135	4	3	77.76	2	2	0	-1.0602	0.53909	2.23	2.517	8.8499	61.6299	1.8091	210.857589085411
Cond-012599	NSC42135	42135	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	29.8105013158324	c1(cc(nc(n1)N)Nc1ccc(cc1)Br)N	InChI=1S/C10H10BrN5/c11-6-1-3-7(4-2-6)14-9-5-8(12)15-10(13)16-9/h1-5H,(H5,12,13,14,15,16)	C10H10BrN5	280.124	5	5	89.85	2	2	0	-1.0314	3.55757	1.9	2.03	20.3433	70.6065	1.7164	193.452055371467
Cond-012600	NSC42199	42199	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	105.934603402343	N1(C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1)C.CS(=O)(=O)O	InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)	C22H29NO4S	403.535	2	0	12.47	4	4	1	-1.3922	4.06	3.55	6.849	35.4518	91.7020000000001	2.5336	304.514535744729
Cond-012601	NSC42212	42212	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	80.5104048860617	O=C1C(C(=O)c2c1cccc2)c1ncccc1	InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)12(13)11-7-3-4-8-15-11/h1-8,12H	C14H9NO2	223.227	3	0	47.03	3	1	0	-0.6723	2.21279	2.67	2.558	14.3136	65.1025	1.6286	199.316411363423
Cond-012602	NSC42231	42231	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.8589433002433	N1C(CC(NC21CCCC2)C)(C)C	InChI=1S/C11H22N2/c1-9-8-10(2,3)13-11(12-9)6-4-5-7-11/h9,12-13H,4-8H2,1-3H3	C11H22N2	182.306	2	2	24.06	2	0	0	-1.1222	2.0067	2.45	2.313	48.0634	55.6284	1.6409	196.092892600067
Cond-012603	NSC4263	4263	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.96425940943391	n1c2c3ncccc3c(cc2ccc1)N(=O)=O	InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H	C12H7N3O2	225.203	5	0	68.92	3	1	0	0.6601	3.51728	2.23	2.725	3.89	67.722	1.5464	175.817962528023
Cond-012604	NSC4263	4263	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2c3ncccc3c(cc2ccc1)N(=O)=O	InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H	C12H7N3O2	225.203	5	0	68.92	3	1	0	0.6601	3.51728	2.23	2.725	3.89	67.722	1.5464	175.817962528023
Cond-012605	NSC42633	42633	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.646215303299	n1cc(ccc1)CCCCC	InChI=1S/C10H15N/c1-2-3-4-6-10-7-5-8-11-9-10/h5,7-9H,2-4,6H2,1H3	C10H15N	149.233	1	0	12.89	1	4	0	-0.7503	2.8143	2.45	3.788	19.4989	47.466	1.3798	161.347230364434
Cond-012606	NSC42774	42774	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.8771836477396	n1ccc(cc1)CCn1cccc1	InChI=1S/C11H12N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h1-4,6-9H,5,10H2	C11H12N2	172.226	2	0	17.82	2	3	0	0.2804	2.1258	2.45	2.298	12.062	52.373	1.4259	161.110599096067
Cond-012607	NSC42846	42846	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8130657561777	n1c2ccccc2nc(c1N1CCCC1)C	InChI=1S/C13H15N3/c1-10-13(16-8-4-5-9-16)15-12-7-3-2-6-11(12)14-10/h2-3,6-7H,4-5,8-9H2,1H3	C13H15N3	213.278	3	0	29.02	3	1	0	-0.1001	3.12311	2.56	2.908	23.8781	66.973	1.6989	194.342869855167
Cond-012608	NSC4292	4292	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.7478430641242	c1c2cc(ccc2ccc1)C(=O)CSc1nc2c(cc(cc2)N(=O)=O)s1	InChI=1S/C19H12N2O3S2/c22-17(14-6-5-12-3-1-2-4-13(12)9-14)11-25-19-20-16-8-7-15(21(23)24)10-18(16)26-19/h1-10H,11H2	C19H12N2O3S2	380.44	5	0	126.64	4	5	1	1.3757	4.99837	2.78	6.783	29.385	106.865	2.581	300.535534713485
Cond-012609	NSC4292	4292	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c2cc(ccc2ccc1)C(=O)CSc1nc2c(cc(cc2)N(=O)=O)s1	InChI=1S/C19H12N2O3S2/c22-17(14-6-5-12-3-1-2-4-13(12)9-14)11-25-19-20-16-8-7-15(21(23)24)10-18(16)26-19/h1-10H,11H2	C19H12N2O3S2	380.44	5	0	126.64	4	5	1	1.3757	4.99837	2.78	6.783	29.385	106.865	2.581	300.535534713485
Cond-012610	NSC43013	43013	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.2456351823486	[nH]1c(cc(=S)nc1SC)C	InChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)	C6H8N2S2	172.271	2	1	81.78	1	1	0	1.2179	1.36368	1.68	1.221	50.226	50.9857	1.243	151.078100184333
Cond-012611	NSC43013	43013	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c(cc(=S)nc1SC)C	InChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)	C6H8N2S2	172.271	2	1	81.78	1	1	0	1.2179	1.36368	1.68	1.221	50.226	50.9857	1.243	151.078100184333
Cond-012612	NSC43088	43088	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.132413720314	S(c1ccc(cc1)N(=O)=O)c1ccc(cc1)C(=O)c1ccccc1	InChI=1S/C19H13NO3S/c21-19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)24-18-12-8-16(9-13-18)20(22)23/h1-13H	C19H13NO3S	335.376	4	0	85.51	3	5	1	0.9869	4.23748	3	7.15	17.0295	94.083	2.4263	294.286209148518
Cond-012613	NSC43271	43271	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.709488297661	n1c(c(Br)c(nc1N)Nc1ccc(cc1)C#N)C	InChI=1S/C12H10BrN5/c1-7-10(13)11(18-12(15)16-7)17-9-4-2-8(6-14)3-5-9/h2-5H,1H3,(H3,15,16,17,18)	C12H10BrN5	304.145	5	3	87.62	2	2	0	0.1927	3.99599	2.12	2.405	28.0523	76.3331	1.9122	222.771107221601
Cond-012614	NSC43308	43308	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.583648012365	C(=Cc1ccccc1)=NC(=O)C(=O)C=C=Nc1ccccc1	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H	C18H12N2O2	288.3	4	0	58.86	2	5	1	-0.4026	2.94317	3	9.222	25.731	90.543	2.2286	281.307733972656
Cond-012615	NSC43344	43344	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.086737247883	o1c(cc(c1c1ccccc1)P(=O)(O)O)c1ccccc1	InChI=1S/C16H13O4P/c17-21(18,19)15-11-14(12-7-3-1-4-8-12)20-16(15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)	C16H13O4P	300.246	4	2	80.48	3	3	0	-0.8901	2.73349	2.67	4.786	12.8982	79.3491	2.1326	249.419327216112
Cond-012616	NSC43409	43409	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.127490501939	n1c(=S)c2ncn(c2[nH]c1)C1OC(CCC1)CO	InChI=1S/C11H14N4O2S/c16-4-7-2-1-3-8(17-7)15-6-14-9-10(15)12-5-13-11(9)18/h5-8,16H,1-4H2,(H,12,13,18)	C11H14N4O2S	266.319	6	2	103.76	3	2	0	-1.7879	1.49408	1.9	-0.00100000000000022	49.8875	73.2735	1.8408	220.373596971123
Cond-012617	NSC43506	43506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.662055251385	N1(P(=O)(Oc2ccc(Cl)cc2)N2CC2CC)CC1CC	InChI=1S/C14H20ClN2O2P/c1-3-12-9-16(12)20(18,17-10-13(17)4-2)19-14-7-5-11(15)6-8-14/h5-8,12-13H,3-4,9-10H2,1-2H3	C14H20ClN2O2P	314.748	4	0	42.13	3	6	0	-0.992800000000001	3.17429	2.34	3.04	52.7647	78.5315	2.2704	269.433786254023
Cond-012618	NSC43512	43512	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.534165727553	[nH]1c2ccccc2c(c1)C1CN(CC1)C	InChI=1S/C13H16N2/c1-15-7-6-10(9-15)12-8-14-13-5-3-2-4-11(12)13/h2-5,8,10,14H,6-7,9H2,1H3	C13H16N2	200.28	2	1	19.03	3	1	0	-0.875799999999999	2.1051	2.67	2.372	27.0335	63.586	1.6421	185.9825683478
Cond-012619	NSC43546	43546	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.61168782279	c1c(c(n[nH]1)O)C(=O)OCC	InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-7-8-5(4)9/h3H,2H2,1H3,(H2,7,8,9)	C6H8N2O3	156.139	5	2	75.21	1	3	0	-0.6191	-0.22151	1.57	1.426	22.1468	39.6628	1.0921	129.530732170817
Cond-012620	NSC43805	43805	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.107448308893	n1c(c(n(c1)C)NC(=N)N)N(=O)=O	InChI=1S/C5H8N6O2/c1-10-2-8-3(11(12)13)4(10)9-5(6)7/h2H,1H3,(H4,6,7,9)	C5H8N6O2	184.156	8	4	122.86	1	3	0	0.3061	0.45975	1.13	0.905	23.6844	49.4228	1.2487	144.795102976256
Cond-012621	NSC43998	43998	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.760867422701	[nH]1/c(=N\N=C(c2ccccc2)c2ccccc2)/ccc(c1)N(=O)=O	InChI=1S/C18H14N4O2/c23-22(24)16-11-12-17(19-13-16)20-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,19,20)	C18H14N4O2	318.329	6	1	79.89	3	4	1	-0.0610000000000002	2.72407	2.78	8.58	38.3232	95.4597	2.3626	293.58125438899
Cond-012622	NSC4426	4426	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.808146527083	n1c(nc(nc1N)C1CCCC=C1)N	InChI=1S/C9H13N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H4,10,11,12,13,14)	C9H13N5	191.233	5	4	90.71	2	1	0	-1.1149	2.00146	1.9	0.967	33.3808	57.2368	1.4865	173.045369169634
Cond-012623	NSC4429	4429	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.301821674121	c1(nc(nc(n1)N)N)c1c(c2nc(nc(n2)N)N)cccc1	InChI=1S/C12H12N10/c13-9-17-7(18-10(14)21-9)5-3-1-2-4-6(5)8-19-11(15)22-12(16)20-8/h1-4H,(H4,13,14,17,18,21)(H4,15,16,19,20,22)	C12H12N10	296.291	10	8	181.42	3	2	0	-2.9996	1.84215	1.68	0.26	16.8884	88.7066	2.0846	232.578371883267
Cond-012624	NSC44556	44556	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	81.9534093529052	Clc1ccc(c(Cl)c1)CSc1nc(=O)[nH]cc1	InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)	C11H8Cl2N2OS	287.165	3	1	66.76	2	3	0	1.203	2.94437	2.01	2.64	46.6633	75.5067	1.8499	227.095526694295
Cond-012625	NSC44584	44584	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8616567562493	n1(c(Sc2nc(nc3n(cnc23)CCC)N)c(nc1)N(=O)=O)C	InChI=1S/C12H14N8O2S/c1-3-4-19-6-14-7-8(19)16-12(13)17-10(7)23-11-9(20(21)22)15-5-18(11)2/h5-6H,3-4H2,1-2H3,(H2,13,16,17)	C12H14N8O2S	334.357	10	2	155.88	3	5	0	0.4044	3.08614	1.57	0.738	40.9208	86.8104	2.2519	251.947246327256
Cond-012626	NSC44680	44680	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.728328754076	N1(CC1CO)C1CCCCC1	InChI=1S/C9H17NO/c11-7-9-6-10(9)8-4-2-1-3-5-8/h8-9,11H,1-7H2	C9H17NO	155.237	2	1	23.24	2	2	0	-1.9647	0.9956	2.23	1.009	36.2408	44.4528	1.318	159.294389840728
Cond-012627	NSC44688	44688	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.648688567181	n1n(cc(c1C(=O)OCC)O)c1ccccc1	InChI=1S/C12H12N2O3/c1-2-17-12(16)11-10(15)8-14(13-11)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3	C12H12N2O3	232.235	5	1	63.83	2	4	0	-0.1855	2.15238	2.23	2.575	21.7448	65.6898	1.6999	202.140805122817
Cond-012628	NSC44750	44750	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.7989284860671	c1(cc(cc(c1)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O)C(=O)O	InChI=1S/C15H8N2O6/c18-11-1-2-12(19)16(11)9-5-8(15(22)23)6-10(7-9)17-13(20)3-4-14(17)21/h1-7H,(H,22,23)	C15H8N2O6	312.234	8	1	112.06	3	3	0	-1.2476	0.06437	2.23	0.0369999999999999	52.3221	79.1488	2.0181	268.397145598101
Cond-012629	NSC44819	44819	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.279358241001	S=C1NC(=O)C(C(=N1)N)(CC)CC	InChI=1S/C8H13N3OS/c1-3-8(4-2)5(9)10-7(13)11-6(8)12/h3-4H2,1-2H3,(H3,9,10,11,12,13)	C8H13N3OS	199.273	4	3	99.57	1	2	0	-0.2196	0.69628	1.79	0.255	52.1951	59.4361	1.5198	186.948032287195
Cond-012630	NSC45086	45086	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	77.9290938316702	o1cccc1CNC(=O)Nc1ccc(cc1)N(=O)=O	InChI=1S/C12H11N3O4/c16-12(13-8-11-2-1-7-19-11)14-9-3-5-10(6-4-9)15(17)18/h1-7H,8H2,(H2,13,14,16)	C12H11N3O4	261.233	7	2	97.41	2	6	0	-0.1101	2.20788	2.01	2.451	20.1639	74.3064	1.8154	219.291333330745
Cond-012631	NSC45117	45117	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.389100245402	O1C2(C3CN(CC3C1CC2)CC)C	InChI=1S/C11H19NO/c1-3-12-6-8-9(7-12)11(2)5-4-10(8)13-11/h8-10H,3-7H2,1-2H3	C11H19NO	181.275	2	0	12.47	3	1	0	-0.305400000000001	1.5056	2.45	1.337	48.3344	51.606	1.4912	181.529900391661
Cond-012632	NSC45153	45153	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5560949116033	n1c(=S)c2ncn(c2[nH]c1)C1OCCC1	InChI=1S/C9H10N4OS/c15-9-7-8(10-4-11-9)13(5-12-7)6-2-1-3-14-6/h4-6H,1-3H2,(H,10,11,15)	C9H10N4OS	222.267	5	1	83.53	3	1	0	-0.9892	1.93798	1.79	0.313	41.0134	61.8517	1.5003	176.991401018828
Cond-012633	NSC45291	45291	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	15.0159544769357	n1c(cccc1)C(=S)Nc1ccccc1	InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)	C12H10N2S	214.286	2	1	57.01	2	3	0	0.2643	3.87448	2.45	3.871	15.4324	67.2857	1.6443	191.642690377934
Cond-012634	NSC45291	45291	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c(cccc1)C(=S)Nc1ccccc1	InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)	C12H10N2S	214.286	2	1	57.01	2	3	0	0.2643	3.87448	2.45	3.871	15.4324	67.2857	1.6443	191.642690377934
Cond-012635	NSC45383	45383	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	NA	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-012636	NSC45383	45383	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.61507751811999	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-012637	NSC45384	45384	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	NA	n1c(c(c(c(c1C(=O)OC)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C26H24N4O8/c1-10-15(11-7-9-14(35-2)24(36-3)21(11)31)16(27)20(30-18(10)26(34)38-5)13-8-6-12-19(29-13)23(33)17(28)25(37-4)22(12)32/h6-9,31H,27-28H2,1-5H3	C26H24N4O8	520.491	12	5	186.18	4	7	0	-2.4157	4.09068	3	1.186	70.1127	141.2316	3.6474	456.161115496891
Cond-012638	NSC45384	45384	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	16.0311991616199	n1c(c(c(c(c1C(=O)OC)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C26H24N4O8/c1-10-15(11-7-9-14(35-2)24(36-3)21(11)31)16(27)20(30-18(10)26(34)38-5)13-8-6-12-19(29-13)23(33)17(28)25(37-4)22(12)32/h6-9,31H,27-28H2,1-5H3	C26H24N4O8	520.491	12	5	186.18	4	7	0	-2.4157	4.09068	3	1.186	70.1127	141.2316	3.6474	456.161115496891
Cond-012639	NSC45527	45527	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.8402917363215	N(=N\c1ccc(cc1C)N)/c1ccc(cc1S(=O)(=O)N)C	InChI=1S/C14H16N4O2S/c1-9-3-5-13(14(7-9)21(16,19)20)18-17-12-6-4-11(15)8-10(12)2/h3-8H,15H2,1-2H3,(H2,16,19,20)	C14H16N4O2S	304.367	6	4	119.28	2	3	0	-0.4024	2.85393	2.23	3.167	26.3679	76.9028	2.2431	265.808633447123
Cond-012640	NSC45536	45536	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.103244410825	Fc1ccc(/N=N/c2c(ccc3c2cccc3)O)cc1	InChI=1S/C16H11FN2O/c17-12-6-8-13(9-7-12)18-19-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H	C16H11FN2O	266.27	3	1	44.95	3	2	1	0.0194	4.65868	2.78	6.339	3.4371	79.1388	1.9262	228.646014272268
Cond-012641	NSC45545	45545	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.6958989675	[nH]1c2ccccc2c(c(/N=N/c2ccc(cc2)C(=O)N)c1=O)O	InChI=1S/C16H12N4O3/c17-15(22)9-5-7-10(8-6-9)19-20-13-14(21)11-3-1-2-4-12(11)18-16(13)23/h1-8H,(H2,17,22)(H2,18,21,23)	C16H12N4O3	308.291	7	4	117.14	3	3	0	-1.8117	3.31658	2.45	3.482	26.1348	87.3609	2.1825	270.415970538618
Cond-012642	NSC45572	45572	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	38.6699902336066	[nH]1c2ccccc2c(c(/N=N/c2ccc(cc2S(=O)(=O)N(C)C)C)c1=O)O	InChI=1S/C18H18N4O4S/c1-11-8-9-14(15(10-11)27(25,26)22(2)3)20-21-16-17(23)12-6-4-5-7-13(12)19-18(16)24/h4-10H,1-3H3,(H2,19,23,24)	C18H18N4O4S	386.425	8	2	119.81	3	4	0	-1.2668	3.42848	2.45	4.009	46.7304	97.9175	2.7295	334.943649249313
Cond-012643	NSC45641	45641	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.246330441021	n1/c(=N\N=C(C)C)/c2[nH]cnc2[nH]c1	InChI=1S/C8H10N6/c1-5(2)13-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H3,(H2,9,10,11,12,14)	C8H10N6	190.205	6	2	77.79	2	1	0	-1.6632	0.81716	1.68	0.818	36.8015	59.1427	1.4024	164.109686051134
Cond-012644	NSC45719	45719	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.5502354719452	Clc1[nH]c(nc(=O)c1)SC	InChI=1S/C5H5ClN2OS/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H,7,8,9)	C5H5ClN2OS	176.624	3	1	66.76	1	1	0	0.821	0.97317	1.46	1.719	41.352	46.8167	1.1197	139.274385971861
Cond-012645	NSC45745	45745	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2152449112074	o1cccc1CNC(=O)Nc1cccc(c1)N(=O)=O	InChI=1S/C12H11N3O4/c16-12(13-8-11-5-2-6-19-11)14-9-3-1-4-10(7-9)15(17)18/h1-7H,8H2,(H2,13,14,16)	C12H11N3O4	261.233	7	2	97.41	2	6	0	-0.1101	2.20788	2.01	2.451	20.1639	74.3064	1.8154	219.291333330745
Cond-012646	NSC45815	45815	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.181554501936	O1CCN(c2nc(nc(c2)C)N2CCOCC2)CC1	InChI=1S/C13H20N4O2/c1-11-10-12(16-2-6-18-7-3-16)15-13(14-11)17-4-8-19-9-5-17/h10H,2-9H2,1H3	C13H20N4O2	264.324	6	0	50.72	3	2	0	0.250500000000001	1.04291	2.23	0.359	52.4643	74.084	2.0021	239.093000866056
Cond-012647	NSC46075	46075	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	59.0577031847855	O=N1=C(c2ccccc2)c2cc(Cl)ccc2N=C(C1)N(C(=O)CCC)C	InChI=1S/C20H20ClN3O2/c1-3-7-19(25)23(2)18-13-24(26)20(14-8-5-4-6-9-14)16-12-15(21)10-11-17(16)22-18/h4-6,8-12H,3,7,13H2,1-2H3	C20H20ClN3O2	369.845	5	0	61.42	3	5	1	-0.421	4.79468	3	5.489	48.2199	109.659	2.753	337.660448604591
Cond-012648	NSC46212	46212	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5891437058796	c1(ccc(cc1NC(=O)Nc1ccccc1OC)C(C)C)C	InChI=1S/C18H22N2O2/c1-12(2)14-10-9-13(3)16(11-14)20-18(21)19-15-7-5-6-8-17(15)22-4/h5-12H,1-4H3,(H2,19,20,21)	C18H22N2O2	298.379	4	2	50.36	2	6	1	0.535399999999999	5.3435	3	5.293	37.0283	93.4124	2.4436	294.490027476657
Cond-012649	NSC46213	46213	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	107.755646518653	c1(ccc(cc1NC(=O)Nc1ccc(cc1)OCC)C(C)C)C	InChI=1S/C19H24N2O2/c1-5-23-17-10-8-16(9-11-17)20-19(22)21-18-12-15(13(2)3)7-6-14(18)4/h6-13H,5H2,1-4H3,(H2,20,21,22)	C19H24N2O2	312.406	4	2	50.36	2	7	1	0.785800000000001	5.7336	3.11	5.716	41.3221	98.0294	2.5845	311.786012102524
Cond-012650	NSC46273	46273	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5345533748503	O1C2(OCC(C1)(C)C)C(CC=C2O)C	InChI=1S/C11H18O3/c1-8-4-5-9(12)11(8)13-6-10(2,3)7-14-11/h5,8,12H,4,6-7H2,1-3H3	C11H18O3	198.259	3	1	38.69	2	0	0	0.7497	2.16359	2.34	1.386	53.9127	52.6388	1.5744	197.833593584617
Cond-012651	NSC46385	46385	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.15425289167	n1c(c2ncn(c2nc1N)C1OC(C(C1O)O)CO)SCc1ncccc1	InChI=1S/C16H18N6O4S/c17-16-20-13-10(14(21-16)27-6-8-3-1-2-4-18-8)19-7-22(13)15-12(25)11(24)9(5-23)26-15/h1-4,7,9,11-12,15,23-25H,5-6H2,(H2,17,20,21)	C16H18N6O4S	390.417	10	5	177.73	4	5	0	-1.6769	1.16207	2.01	0.137	47.0221	100.7458	2.6247	304.361659114713
Cond-012652	NSC46492	46492	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	12.1313674643553	c1(ccc(cc1NC(=O)Nc1ccc(cc1)N(=O)=O)C(C)C)C	InChI=1S/C17H19N3O3/c1-11(2)13-5-4-12(3)16(10-13)19-17(21)18-14-6-8-15(9-7-14)20(22)23/h4-11H,1-3H3,(H2,18,19,21)	C17H19N3O3	313.351	6	2	84.27	2	6	1	1.2473	5.1021	2.67	5.624	33.6025	95.3884	2.4182	294.344571058718
Cond-012653	NSC46492	46492	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(ccc(cc1NC(=O)Nc1ccc(cc1)N(=O)=O)C(C)C)C	InChI=1S/C17H19N3O3/c1-11(2)13-5-4-12(3)16(10-13)19-17(21)18-14-6-8-15(9-7-14)20(22)23/h4-11H,1-3H3,(H2,18,19,21)	C17H19N3O3	313.351	6	2	84.27	2	6	1	1.2473	5.1021	2.67	5.624	33.6025	95.3884	2.4182	294.344571058718
Cond-012654	NSC46615	46615	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.012024512384	n1c(c2c(nc1)n(nc2)C1OCCCC1)NC	InChI=1S/C11H15N5O/c1-12-10-8-6-15-16(11(8)14-7-13-10)9-4-2-3-5-17-9/h6-7,9H,2-5H2,1H3,(H,12,13,14)	C11H15N5O	233.27	6	1	64.86	3	2	0	-1.1792	2.49628	2.01	0.495	30.1383	66.3207	1.7184	193.171106421128
Cond-012655	NSC47496	47496	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.3862199155365	C(C)(C)(C)NC(=S)NC(C)(C)C	InChI=1S/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)	C9H20N2S	188.333	2	2	56.15	0	4	0	2.3386	2.0475	2.12	2.725	56.9345	58.3754	1.6968	202.086406106734
Cond-012656	NSC47522	47522	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	42.4761793652887	Clc1nc(nc(c1)Nc1ccccc1Cl)N	InChI=1S/C10H8Cl2N4/c11-6-3-1-2-4-7(6)14-9-5-8(12)15-10(13)16-9/h1-5H,(H3,13,14,15,16)	C10H8Cl2N4	255.103	4	3	63.83	2	2	0	0.1077	4.11448	1.9	2.703	19.2399	67.4731	1.6864	193.5938117266
Cond-012657	NSC47617	47617	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.00383435353	O1CC2(COC(OC2)C(=O)O)COC1C(=O)O	InChI=1S/C9H12O8/c10-5(11)7-14-1-9(2-15-7)3-16-8(6(12)13)17-4-9/h7-8H,1-4H2,(H,10,11)(H,12,13)	C9H12O8	248.187	8	2	111.52	2	2	0	-1.1442	-0.87831	1.57	-1.522	48.7759	52.3316	1.5431	204.556299134889
Cond-012658	NSC47619	47619	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.495473950578	C1C2(CC(C2)(CO)CO)CC1(CO)CO	InChI=1S/C11H20O4/c12-5-10(6-13)1-9(2-10)3-11(4-9,7-14)8-15/h12-15H,1-8H2	C11H20O4	216.274	4	4	80.92	2	4	0	-1.0794	-0.4976	2.23	-0.791	55.3727	54.1102	1.6761	209.260278985978
Cond-012659	NSC47680	47680	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.1903563746039	[nH]1c(nc(=O)c(c1)C)SCc1ccc(Cl)cc1Cl	InChI=1S/C12H10Cl2N2OS/c1-7-5-15-12(16-11(7)17)18-6-8-2-3-9(13)4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)	C12H10Cl2N2OS	301.192	3	1	66.76	2	3	0	1.7561	3.33447	2.12	3.67	51.0204	80.1237	1.9908	244.391511320161
Cond-012660	NSC47881	47881	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.875689913998	C1(=O)NCN(CN1)CCO	InChI=1S/C5H11N3O2/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)	C5H11N3O2	145.16	5	3	64.6	1	2	0	-1.0406	-1.89351	1.46	-1.442	33.2974	38.0472	1.0783	130.614198454156
Cond-012661	NSC479	479	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.901254118859	O=C1NC(=O)C(N1)(c1cccnc1)Cc1ccccc1	InChI=1S/C15H13N3O2/c19-13-15(18-14(20)17-13,12-7-4-8-16-10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19,20)	C15H13N3O2	267.283	5	2	71.09	3	3	0	-0.7149	0.61589	2.56	3.468	21.9417	74.8114	1.9691	238.605916405623
Cond-012662	NSC48231	48231	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.945528978682	[nH]1ccnc1C(CC)CC	InChI=1S/C8H14N2/c1-3-7(4-2)8-9-5-6-10-8/h5-7H,3-4H2,1-2H3,(H,9,10)	C8H14N2	138.21	2	1	28.68	1	3	0	-1.1999	2.23659	2.12	2.216	23.7234	43.384	1.2408	140.388480021667
Cond-012663	NSC48388	48388	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9329761620224	c1[nH]c2c(c(=S)n(cn2)CCSC2=NC=NC3=NC=NC23)n1	InChI=1S/C12H10N8S2/c21-12-8-10(16-4-14-8)19-6-20(12)1-2-22-11-7-9(15-3-13-7)17-5-18-11/h3-7H,1-2H2,(H,14,16)	C12H10N8S2	330.391	8	1	151.11	4	4	0	-1.6712	0.0497500000000011	1.68	-1.39	73.7233	97.753	2.1464	259.682899582134
Cond-012664	NSC48422	48422	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.143993671625	c1(c2ccccc2ccc1O)CN	InChI=1S/C11H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,13H,7,12H2	C11H11NO	173.211	2	3	46.25	2	1	0	-1.1986	2.0899	2.45	3.262	11.4989	55.4334	1.3848	158.904065588461
Cond-012665	NSC48443	48443	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.694760292759	C1C(CCCC1)NCc1cc(c(cc1O)CNC1CCCCC1)O	InChI=1S/C20H32N2O2/c23-19-12-16(14-22-18-9-5-2-6-10-18)20(24)11-15(19)13-21-17-7-3-1-4-8-17/h11-12,17-18,21-24H,1-10,13-14H2	C20H32N2O2	332.48	4	4	64.52	3	6	0	-4.719	4.11400000000001	3.22	3.132	57.0654	101.0554	2.7888	338.171372830791
Cond-012666	NSC48617	48617	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	7.68862553421035	n1c2c(c[nH]1)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC=C1[C@@]2(CC[C@@H](C1)O)C)C	InChI=1S/C20H28N2O/c1-19-7-5-14(23)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12-11-21-22-18(12)20/h3,11,14-17,23H,4-10H2,1-2H3,(H,21,22)/t14-,15+,16-,17-,19-,20-/m0/s1	C20H28N2O	312.449	3	2	48.91	5	0	0	0.0491999999999987	3.59658000000001	3.33	4.13	76.1344	91.2158000000001	2.5129	304.66822872863
Cond-012667	NSC48617	48617	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1c2c(c[nH]1)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC=C1[C@@]2(CC[C@@H](C1)O)C)C	InChI=1S/C20H28N2O/c1-19-7-5-14(23)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12-11-21-22-18(12)20/h3,11,14-17,23H,4-10H2,1-2H3,(H,21,22)/t14-,15+,16-,17-,19-,20-/m0/s1	C20H28N2O	312.449	3	2	48.91	5	0	0	0.0491999999999987	3.59658000000001	3.33	4.13	76.1344	91.2158000000001	2.5129	304.66822872863
Cond-012668	NSC48964	48964	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	86.6052128120383	N1c2ccc(cc2NCC1)c1ccccc1	InChI=1S/C14H14N2/c1-2-4-11(5-3-1)12-6-7-13-14(10-12)16-9-8-15-13/h1-7,10,15-16H,8-9H2	C14H14N2	210.274	2	2	24.06	3	1	0	-0.8176	3.83949	2.78	4.536	16.0244	69.9844	1.697	198.005635572067
Cond-012669	NSC4921	4921	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.65801702969	O=C1N(C(=O)c2c1cccc2)c1nc[nH]n1	InChI=1S/C10H6N4O2/c15-8-6-3-1-2-4-7(6)9(16)14(8)10-11-5-12-13-10/h1-5H,(H,11,12,13)	C10H6N4O2	214.18	6	1	78.95	3	1	0	-1.1787	0.61888	1.9	1.76	15.683	57.8425	1.4074	165.759212185256
Cond-012670	NSC49252	49252	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.446530777118	C=CCNC(=S)NCC=C	InChI=1S/C7H12N2S/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)	C7H12N2S	156.249	2	2	56.15	0	6	0	1.7096	0.67488	1.9	1.355	47.6523	48.4574	1.329	162.2215194534
Cond-012671	NSC4936	4936	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.528778374771	[nH]1c(=O)c2c(nc1N)n(nc2)C	InChI=1S/C6H7N5O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)	C6H7N5O	165.153	6	3	85.3	2	0	0	-0.4775	-0.61903	1.46	-1.377	24.7359	46.8341	1.1225	129.947641992595
Cond-012672	NSC49643	49643	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.952990781861	O=C1C(C2C(C=CC(C2C=C1C)(C(=O)O)C)C(=O)C)(O)C	InChI=1S/C16H20O5/c1-8-7-11-12(16(4,21)13(8)18)10(9(2)17)5-6-15(11,3)14(19)20/h5-7,10-12,21H,1-4H3,(H,19,20)	C16H20O5	292.327	5	2	91.67	2	2	0	0.281100000000001	1.45097	2.67	0.3	77.9518	78.1246	2.2243	291.348135311873
Cond-012673	NSC49652	49652	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.39120779715664	n1cccc(c1)/C=C/C(=O)c1ccccc1O	InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+	C14H11NO2	225.243	3	1	50.19	2	3	0	-0.363	2.46898	2.67	3.294	18.1541	67.6678	1.7372	211.672870064223
Cond-012674	NSC49701	49701	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9194308568062	n1c(cc(nc1N)Nc1ccc(cc1)OC)C	InChI=1S/C12H14N4O/c1-8-7-11(16-12(13)14-8)15-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H3,13,14,15,16)	C12H14N4O	230.266	5	3	73.06	2	3	0	-0.7826	3.3042	2.23	2.179	20.5704	68.9521	1.7821	206.553872138028
Cond-012675	NSC49847	49847	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.97999942420375	s1c(ccc1)[As](=O)(c1sccc1)O	InChI=1S/C8H7AsO2S2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,(H,10,11)	C8H7AsO2S2	274.192	2	1	93.78	2	2	0	1.0416	1.25089	1.79	3.089	19.3077	54.0543	1.5411	166.384162697622
Cond-012676	NSC49847	49847	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	s1c(ccc1)[As](=O)(c1sccc1)O	InChI=1S/C8H7AsO2S2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,(H,10,11)	C8H7AsO2S2	274.192	2	1	93.78	2	2	0	1.0416	1.25089	1.79	3.089	19.3077	54.0543	1.5411	166.384162697622
Cond-012677	NSC49852	49852	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.81771285832	O=[As](c1cc(c(cc1)O)N(=O)=O)(c1cc(c(cc1)O)N(=O)=O)O	InChI=1S/C12H9AsN2O8/c16-11-3-1-7(5-9(11)14(20)21)13(18,19)8-2-4-12(17)10(6-8)15(22)23/h1-6,16-17H,(H,18,19)	C12H9AsN2O8	384.13	10	3	164.04	2	4	0	0.26	1.00597	1.57	4.007	16.6299	82.2141000000001	2.1575	262.739098902389
Cond-012678	NSC50199	50199	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	82.639144957218	n1c(c(Br)c(nc1SC)N1CC1)C	InChI=1S/C8H10BrN3S/c1-5-6(9)7(12-3-4-12)11-8(10-5)13-2/h3-4H2,1-2H3	C8H10BrN3S	260.154	3	0	54.09	2	2	0	2.0576	2.67411	1.79	2.076	40.1442	59.714	1.5275	174.1849658634
Cond-012679	NSC503425	503425	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.85239300466155	c1c2c(cc(c1)Cl)sc(n2)S	InChI=1S/C7H4ClNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)	C7H4ClNS2	201.696	1	0	79.93	2	0	0	1.8459	3.10118	1.79	2.624	22.1007	49.475	1.2549	135.795474970867
Cond-012680	NSC503425	503425	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c2c(cc(c1)Cl)sc(n2)S	InChI=1S/C7H4ClNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)	C7H4ClNS2	201.696	1	0	79.93	2	0	0	1.8459	3.10118	1.79	2.624	22.1007	49.475	1.2549	135.795474970867
Cond-012681	NSC50405	50405	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8316039331005	S1CS(=O)(=O)CS(=O)(=O)C1	InChI=1S/C3H6O4S3/c4-9(5)1-8-2-10(6,7)3-9/h1-3H2	C3H6O4S3	202.272	4	0	110.34	1	0	0	-0.2433	1.5969	1.02	-0.603	37.7784	40.12	1.148	138.775932852644
Cond-012682	NSC5053	5053	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	12.8676228725893	[Cl-].n1([n+](nc(n1)c1ccccc1)c1ccccc1)c1ccccc1	InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1	C19H15ClN4	334.802	4	0	34.29	4	3	1	-1.4307	5.31847	3.11	7.562	2.898	95.42	2.299	260.458556263334
Cond-012683	NSC5053	5053	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[Cl-].n1([n+](nc(n1)c1ccccc1)c1ccccc1)c1ccccc1	InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1	C19H15ClN4	334.802	4	0	34.29	4	3	1	-1.4307	5.31847	3.11	7.562	2.898	95.42	2.299	260.458556263334
Cond-012684	NSC50572	50572	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	82.6170376739338	n1c(cc(c2c1nc(nc2SC(C)C)N)C)C	InChI=1S/C12H16N4S/c1-6(2)17-11-9-7(3)5-8(4)14-10(9)15-12(13)16-11/h5-6H,1-4H3,(H2,13,14,15,16)	C12H16N4S	248.347	4	2	89.99	2	2	0	0.974399999999999	3.48853	2.23	2.682	38.4455	73.6734	1.9299	218.909128195867
Cond-012685	NSC50633	50633	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.1209869593252	c1cc(cc(c1NC(=O)CC(=O)C)OC)OC	InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)	C12H15NO4	237.252	5	1	64.63	1	6	0	-0.957500000000001	2.45538	2.23	1.629	37.3927	66.9597	1.8104	225.827189016811
Cond-012686	NSC50648	50648	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.34699583224	c1(c(ccc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)O	InChI=1S/C17H12N2O4/c20-16-14-7-2-1-4-11(14)8-9-15(16)17(21)18-12-5-3-6-13(10-12)19(22)23/h1-10,20H,(H,18,21)	C17H12N2O4	308.288	6	2	92.47	3	4	1	-0.435	4.13338	2.67	5.384	13.8961	91.8005	2.1825	263.608661448712
Cond-012687	NSC50650	50650	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.320002802317	o1c2cc(c(cc2c2c1cccc2)O)C(=O)Nc1c(ccc(c1)OC)OC	InChI=1S/C21H17NO5/c1-25-12-7-8-19(26-2)16(9-12)22-21(24)15-11-20-14(10-17(15)23)13-5-3-4-6-18(13)27-20/h3-11,23H,1-2H3,(H,22,24)	C21H17NO5	363.363	6	2	80.93	4	5	0	-1.3528	5.05567	3.11	4	26.2568	108.3115	2.5964	307.329607743774
Cond-012688	NSC50651	50651	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	11.0302566629479	[nH]1c2cc(c(cc2c2c1cccc2)C(=O)Nc1ccc(Cl)cc1)O	InChI=1S/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23/h1-10,22-23H,(H,21,24)	C19H13ClN2O2	336.772	4	3	65.12	4	3	0	-0.7712	5.42417	3	4.788	18.9217	101.6125	2.3607	272.574786368957
Cond-012689	NSC50654	50654	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.523135539115	[nH]1c2c3cc(c(cc3ccc2c2c1cccc2)C(=O)Nc1ccc(cc1)OC)O	InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)	C24H18N2O3	382.411	5	3	74.35	5	4	1	-1.5673	5.93257	3.55	5.491	20.6219	120.6605	2.8069	324.104492326018
Cond-012690	NSC50680	50680	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.53560774993255	c1c(c(ccc1)NC(=O)c1cc2ccccc2cc1O)OC	InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)	C18H15NO3	293.317	4	2	58.56	3	4	1	-1.1469	4.37478	3	5.264	17.3219	89.8245	2.2079	263.754117866651
Cond-012691	NSC50680	50680	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(c(ccc1)NC(=O)c1cc2ccccc2cc1O)OC	InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)	C18H15NO3	293.317	4	2	58.56	3	4	1	-1.1469	4.37478	3	5.264	17.3219	89.8245	2.2079	263.754117866651
Cond-012692	NSC50688	50688	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.120788955072	Clc1c(cc(c(c1)OC)NC(=O)c1cc2ccccc2cc1O)OC	InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)	C19H16ClNO4	357.788	5	2	67.79	3	5	0	-0.454400000000001	5.03678	2.89	4.916	30.2533	101.3865	2.5299	305.051396963513
Cond-012693	NSC50690	50690	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.859826126102	c1cc(ccc1NC(=O)c1cc2ccccc2cc1O)OCC	InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)	C19H17NO3	307.343	4	2	58.56	3	5	1	-0.8965	4.76488	3.11	5.687	21.6157	94.4415	2.3488	281.050102492518
Cond-012694	NSC50751	50751	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9810916657112	n1ccccc1Nc1ccccc1O	InChI=1S/C11H10N2O/c14-10-6-2-1-5-9(10)13-11-7-3-4-8-12-11/h1-8,14H,(H,12,13)	C11H10N2O	186.21	3	2	45.15	2	2	0	-0.8807	3.50148	2.34	3.058	5.8646	58.2887	1.4416	167.264367095828
Cond-012695	NSC50858	50858	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2152759504772	[nH]1oc(c(c1=O)C1CCCCC1)N	InChI=1S/C9H14N2O2/c10-8-7(9(12)11-13-8)6-4-2-1-3-5-6/h6H,1-5,10H2,(H,11,12)	C9H14N2O2	182.22	4	3	64.35	2	1	0	-1.9162	0.95848	2.01	1.963	40.8632	49.9891	1.3905	173.808459347856
Cond-012696	NSC509563	509563	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.271774630861	c1ccccc1NC(=S)Nc1ccc(cc1)N	InChI=1S/C13H13N3S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,14H2,(H2,15,16,17)	C13H13N3S	243.327	3	4	82.17	2	4	0	-0.4785	4.78608	2.45	3.97	22.1556	77.7988	1.885	219.935435211967
Cond-012697	NSC51093	51093	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2320162693575	O=c1[nH]c(=O)[nH]c(c2nnn[nH]2)c1	InChI=1S/C5H4N6O2/c12-3-1-2(6-5(13)7-3)4-8-10-11-9-4/h1H,(H2,6,7,12,13)(H,8,9,10,11)	C5H4N6O2	180.124	8	3	112.66	2	1	0	-1.2573	-2.05072	1.13	-1.068	27.7553	41.4424	1.0971	129.802185574656
Cond-012698	NSC51331	51331	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.5488767116909	n1c2ccccc2c(Sc2ccccc2)nc1	InChI=1S/C14H10N2S/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H	C14H10N2S	238.308	2	0	51.08	3	2	0	0.5906	4.02447	2.67	4.912	7.7935	67.837	1.7745	200.341742228067
Cond-012699	NSC51331	51331	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccccc2c(Sc2ccccc2)nc1	InChI=1S/C14H10N2S/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H	C14H10N2S	238.308	2	0	51.08	3	2	0	0.5906	4.02447	2.67	4.912	7.7935	67.837	1.7745	200.341742228067
Cond-012700	NSC51349	51349	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	60.2646559462864	O=c1cc(oc2c1c(cc(c2)OC)OC)c1cccnc1	InChI=1S/C16H13NO4/c1-19-11-6-14(20-2)16-12(18)8-13(21-15(16)7-11)10-4-3-5-17-9-10/h3-9H,1-2H3	C16H13NO4	283.279	5	0	57.65	3	3	0	-0.6072	3.00147	2.67	2.172	31.1679	80.739	2.0278	251.488834016278
Cond-012701	NSC51351	51351	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	28.7484421239372	c1(cc(cc(c1C(=O)/C=C/c1ccccc1)O)OC)OC	InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+	C17H16O4	284.307	4	1	55.76	2	5	0	-0.4666	3.09118	2.89	4.857	32.7857	82.9768000000001	2.1775	270.144517134778
Cond-012702	NSC513815	513815	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.593531612496	c1ccncc1c1nnc(s1)N	InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,11)	C7H6N4S	178.214	4	2	92.93	2	1	0	-0.1593	2.04108	1.68	0.68	12.0156	50.5184	1.2254	132.429205066534
Cond-012703	NSC5157	5157	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.375185881073	o1c2c(c(ccc2c(c(c1=O)NC(=O)c1ccc2OC(CCc2c1)(C)C)O)O)C	InChI=1S/C22H21NO6/c1-11-15(24)6-5-14-18(25)17(21(27)28-19(11)14)23-20(26)13-4-7-16-12(10-13)8-9-22(2,3)29-16/h4-7,10,24-25H,8-9H2,1-3H3,(H,23,26)	C22H21NO6	395.405	7	3	105.09	4	3	0	-0.328300000000001	4.57748	3.11	4.408	57.756	112.855	2.839	357.852277771002
Cond-012704	NSC515893	515893	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.067097005373	C1CC2(CCC1)NC1(CCCCC1)C(=S)N2	InChI=1S/C13H22N2S/c16-11-12(7-3-1-4-8-12)15-13(14-11)9-5-2-6-10-13/h15H,1-10H2,(H,14,16)	C13H22N2S	238.392	2	2	56.15	3	0	0	-2.2138	2.8699	2.56	2.839	55.5324	70.5014	1.9346	234.2009685078
Cond-012705	NSC51683	51683	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	100.277671816499	C(=N)(N1c2ccc(cc2CCC1)OC)Nc1ccc(Cl)cc1	InChI=1S/C17H18ClN3O/c1-22-15-8-9-16-12(11-15)3-2-10-21(16)17(19)20-14-6-4-13(18)5-7-14/h4-9,11H,2-3,10H2,1H3,(H2,19,20)	C17H18ClN3O	315.797	4	2	48.35	3	4	1	0.00899999999999979	5.27267	2.78	5.474	36.6203	93.6154	2.3576	282.255185428029
Cond-012706	NSC51787	51787	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	72.9721650135822	n1cc2cccc(c2cc1)O	InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H	C9H7NO	145.158	2	1	33.12	2	0	0	-0.4603	2.31099	2.23	1.469	2.5646	45.827	1.103	124.312096336728
Cond-012707	NSC51936	51936	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.215072584845	C1CN(CCO1)C(=O)CN1CCOCC1	InChI=1S/C10H18N2O3/c13-10(12-3-7-15-8-4-12)9-11-1-5-14-6-2-11/h1-9H2	C10H18N2O3	214.262	5	0	42.01	2	3	0	-1.0388	-0.58871	2.01	-1.423	55.8373	57.901	1.6331	202.531129375084
Cond-012708	NSC522131	522131	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.71146229413329	Clc1cc(ccc1Cl)NC(=O)Nc1ccccc1O	InChI=1S/C13H10Cl2N2O2/c14-9-6-5-8(7-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19)	C13H10Cl2N2O2	297.137	4	3	61.36	2	4	0	0.4006	5.14117	2.23	3.672	23.7384	80.5502	1.9839	238.432239888189
Cond-012709	NSC522131	522131	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1cc(ccc1Cl)NC(=O)Nc1ccccc1O	InChI=1S/C13H10Cl2N2O2/c14-9-6-5-8(7-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19)	C13H10Cl2N2O2	297.137	4	3	61.36	2	4	0	0.4006	5.14117	2.23	3.672	23.7384	80.5502	1.9839	238.432239888189
Cond-012710	NSC52241	52241	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	7.94976259994826	C(#CC(c1ccccc1)(c1ccccc1)O)c1ccccc1	InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H	C21H16O	284.351	1	1	20.23	3	2	1	-0.1548	3.47999	3.66	9.142	13.431	86.8468	2.3274	281.791940733362
Cond-012711	NSC52241	52241	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C(#CC(c1ccccc1)(c1ccccc1)O)c1ccccc1	InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H	C21H16O	284.351	1	1	20.23	3	2	1	-0.1548	3.47999	3.66	9.142	13.431	86.8468	2.3274	281.791940733362
Cond-012712	NSC524385	524385	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.5721963844109	O=c1n(c(=O)c2n(c(nc2n1C)SCCC)C)C	InChI=1S/C11H16N4O2S/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5-6H2,1-4H3	C11H16N4O2S	268.335	6	0	83.74	2	3	0	-0.0655999999999993	2.34277	1.9	0.878	56.1882	75.219	1.9494	232.730055671923
Cond-012713	NSC524615	524615	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4782576942018	c1c(c(ccc1)C(=O)O)C(=O)OC(C)CCCCCC	InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)	C16H22O4	278.343	4	1	63.6	1	9	1	-1.7187	3.86889	2.78	5.53	43.2643	80.0593000000001	2.2742	284.014367312112
Cond-012714	NSC525721	525721	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	92.2628479224797	c1cccc2c1Sc1ccccc1N2CCC(=O)O	InChI=1S/C15H13NO2S/c17-15(18)9-10-16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)16/h1-8H,9-10H2,(H,17,18)	C15H13NO2S	271.334	3	1	65.84	3	3	0	0.4104	3.95807	2.67	3.69	27.1722	75.5848000000001	1.976	237.757878747689
Cond-012715	NSC53275	53275	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.7466930039798	o1c(ccc1N(=O)=O)/C=N/N1CC(OC1=O)CN(Cc1ccccc1)Cc1ccccc1	InChI=1S/C23H22N4O5/c28-23-26(24-13-20-11-12-22(31-20)27(29)30)17-21(32-23)16-25(14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13,21H,14-17H2	C23H22N4O5	434.445	9	0	101.42	4	9	1	0.397	3.14897	3	7.241	46.9976	123.712	3.1346	383.175398919208
Cond-012716	NSC53506	53506	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.855256156273	n1cc(ccc1)C(=O)OCCCC	InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3	C10H13NO2	179.216	3	0	39.19	1	5	0	-0.604199999999999	2.00689	2.23	2.308	22.7258	52.449	1.4542	176.291225064756
Cond-012717	NSC53710	53710	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.052175839446	O1C(COC(C1)OC(=O)C)OC(=O)C	InChI=1S/C8H12O6/c1-5(9)13-7-3-12-8(4-11-7)14-6(2)10/h7-8H,3-4H2,1-2H3	C8H12O6	204.177	6	0	71.06	1	4	0	-0.183	0.0454900000000001	1.68	0.03	42.4498	46.255	1.3934	182.0363198087
Cond-012718	NSC53874	53874	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.354272119065	N1CCOCC1.O1CCN(CC1)C(C(=O)O)C=C(Cl)Cl	InChI=1S/C8H11Cl2NO3.C4H9NO/c9-7(10)5-6(8(12)13)11-1-3-14-4-2-11;1-3-6-4-2-5-1/h5-6H,1-4H2,(H,12,13);5H,1-4H2	C12H20Cl2N2O4	327.204	4	1	49.77	1	3	0	0.956899999999999	1.25088	1.68	0.618	54.54	56.5778	1.5619	197.08453545605
Cond-012719	NSC53934	53934	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.43775862288	N(=C\c1c(c(c2OCCc2c1OC)OC)OC)/NC(=O)N	InChI=1S/C13H17N3O5/c1-18-9-7-4-5-21-11(7)12(20-3)10(19-2)8(9)6-15-16-13(14)17/h6H,4-5H2,1-3H3,(H3,14,16,17)	C13H17N3O5	295.291	8	3	104.4	2	6	0	-0.704199999999999	0.145180000000002	2.01	0.189	50.2241	79.2791	2.101	261.550462058773
Cond-012720	NSC5426	5426	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	120.809133330223	o1c2c(c(c3cc(c(cc13)O)O)C)cc(c(=O)c2)O	InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3	C14H10O5	258.226	5	3	86.99	3	0	0	-0.8009	2.57655	2.45	1.706	46.9701	70.4974000000001	1.7479	228.226789957739
Cond-012721	NSC54260	54260	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5410527608642	n1cc2[nH]c(nc2nc1N)N	InChI=1S/C5H6N6/c6-4-8-1-2-3(10-4)11-5(7)9-2/h1H,(H5,6,7,8,9,10,11)	C5H6N6	150.141	6	5	106.5	2	0	0	-1.9202	0.25097	1.35	-1.204	11.7442	44.0638	1.0227	103.958190874334
Cond-012722	NSC54645	54645	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.245899338252	o1c(c2cccnc2)cc(=O)c2c1c(c(cc2)OC)OC	InChI=1S/C16H13NO4/c1-19-13-6-5-11-12(18)8-14(10-4-3-7-17-9-10)21-15(11)16(13)20-2/h3-9H,1-2H3	C16H13NO4	283.279	5	0	57.65	3	3	0	-0.6072	3.00147	2.67	2.172	31.1679	80.739	2.0278	251.488834016278
Cond-012723	NSC54709	54709	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.0932738286781	O=C1C2(CCC3C(C2C/C/1=C/N1CCCC1)CC=C1C3(CCC(C1)O)C)C	InChI=1S/C24H35NO2/c1-23-9-7-18(26)14-17(23)5-6-19-20(23)8-10-24(2)21(19)13-16(22(24)27)15-25-11-3-4-12-25/h5,15,18-21,26H,3-4,6-14H2,1-2H3	C24H35NO2	369.54	3	1	40.54	5	1	0	-0.582599999999999	4.55507000000001	3.77	4.051	104.6662	109.6928	3.0354	382.545633724492
Cond-012724	NSC5476	5476	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	16.1956523830432	N1([C@H]2CCCC[C@@H]2CCC1)S(=O)(=O)c1ccc2NCCCc2c1	InChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2/t14-,18+/m1/s1	C18H26N2O2S	334.476	4	1	57.79	4	2	0	-2.5566	4.50198	2.89	3.272	58.3937	88.0637000000001	2.5619	309.731968935857
Cond-012725	NSC5476	5476	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1([C@H]2CCCC[C@@H]2CCC1)S(=O)(=O)c1ccc2NCCCc2c1	InChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2/t14-,18+/m1/s1	C18H26N2O2S	334.476	4	1	57.79	4	2	0	-2.5566	4.50198	2.89	3.272	58.3937	88.0637000000001	2.5619	309.731968935857
Cond-012726	NSC54834	54834	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.758535198805	N1=C(C2C(CC1(C)C)CCC2O)C	InChI=1S/C11H19NO/c1-7-10-8(4-5-9(10)13)6-11(2,3)12-7/h8-10,13H,4-6H2,1-3H3	C11H19NO	181.275	2	1	32.59	2	0	0	-0.433100000000002	1.91439	2.45	0.943	50.4112	54.8408	1.5568	191.249900391661
Cond-012727	NSC54860	54860	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	62.8203002116157	Clc1sc(cc1)C(=O)/C=C/c1sc(Cl)cc1	InChI=1S/C11H6Cl2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h1-6H/b3-1+	C11H6Cl2OS2	289.201	1	0	73.55	2	3	0	2.3459	4.79818	2.12	3.851	43.3809	73.982	1.8138	212.711030335561
Cond-012728	NSC55152	55152	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.500196437373	c1(ccc(cc1)NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)N)N	InChI=1S/C20H18N4O2/c21-15-5-9-17(10-6-15)23-19(25)13-1-2-14(4-3-13)20(26)24-18-11-7-16(22)8-12-18/h1-12H,21-22H2,(H,23,25)(H,24,26)	C20H18N4O2	346.383	6	6	110.24	3	6	0	-2.7694	4.52417	3	3.454	23.3272	107.5647	2.6444	317.273223640724
Cond-012729	NSC55172	55172	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.195396247065	O=C1N(C(C(C1=O)C(=O)OCC)C(=O)OCC)C(C)C	InChI=1S/C13H19NO6/c1-5-19-12(17)8-9(13(18)20-6-2)14(7(3)4)11(16)10(8)15/h7-9H,5-6H2,1-4H3	C13H19NO6	285.293	7	0	89.98	1	7	0	-0.625	0.15099	2.12	0.144	67.4916	70.776	2.1117	274.2400857446
Cond-012730	NSC55453	55453	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	87.023135991093	n1cc(c(nc1SC)Nc1ccc(cc1)C#N)OC	InChI=1S/C13H12N4OS/c1-18-11-8-15-13(19-2)17-12(11)16-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H,15,16,17)	C13H12N4OS	272.326	5	1	96.13	2	4	0	0.2554	3.89387	2.23	2.352	30.3046	77.6067	2.0005	237.085963419895
Cond-012731	NSC55459	55459	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.693111836204	Clc1ncnc(c1N)NCCO	InChI=1S/C6H9ClN4O/c7-5-4(8)6(9-1-2-12)11-3-10-5/h3,12H,1-2,8H2,(H,9,10,11)	C6H9ClN4O	188.615	5	4	84.06	1	3	0	-1.0737	0.71649	1.46	-0.929	25.6133	47.2729	1.2967	149.154866956461
Cond-012732	NSC55573	55573	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.1963751299314	C(=C\C(=O)NCC(C)C)\C(=O)O	InChI=1S/C8H13NO3/c1-6(2)5-9-7(10)3-4-8(11)12/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)/b4-3-	C8H13NO3	171.194	4	2	66.4	0	5	0	-0.0356999999999997	0.55948	1.9	0.452	43.8092	47.5965	1.3827	176.382399915183
Cond-012733	NSC5564	5564	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.424990775685	N1(C2CCC1[C@H]([C@H](C2)O)COC(=O)c1ccccc1)C	InChI=1S/C16H21NO3/c1-17-12-7-8-14(17)13(15(18)9-12)10-20-16(19)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12?,13-,14?,15+/m1/s1	C16H21NO3	275.343	4	1	49.77	3	4	0	-1.7456	1.65539	2.78	3.128	43.8945	78.4328	2.1411	264.144442118917
Cond-012734	NSC55691	55691	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.006909789748	Brc1ccc(c2[nH]/c(=N\c3scc(n3)c3ccc(Br)cc3)/sc2)cc1	InChI=1S/C18H11Br2N3S2/c19-13-5-1-11(2-6-13)15-9-24-17(21-15)23-18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,(H,21,22,23)	C18H11Br2N3S2	493.238	3	1	90.82	4	3	1	2.5006	6.28376	2.67	7.217	50.3729	113.4207	2.7568	319.969326850035
Cond-012735	NSC55770	55770	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.934671219111	Clc1ccc(c2ccccc12)C(=O)N	InChI=1S/C11H8ClNO/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H2,13,14)	C11H8ClNO	205.64	2	2	43.09	2	1	0	0.1095	2.56049	2.34	3.066	13.0571	60.4974	1.4642	171.478674658095
Cond-012736	NSC55845	55845	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	29.2333091287508	N1=NCC(C1C(=O)c1ccccc1)c1ccc(Cl)cc1	InChI=1S/C16H13ClN2O/c17-13-8-6-11(7-9-13)14-10-18-19-15(14)16(20)12-4-2-1-3-5-12/h1-9,14-15H,10H2	C16H13ClN2O	284.74	3	0	41.79	3	3	1	-0.1953	4.10929	2.78	5.327	21.6126	81.498	2.0739	251.325981893195
Cond-012737	NSC55862	55862	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	32.7788814151334	O=c1oc(c(c2c1cccc2)c1ccccc1)c1ccccc1	InChI=1S/C21H14O2/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H	C21H14O2	298.335	2	0	26.3	4	2	1	-0.2657	4.45038	3.55	9.071	14.7179	91.825	2.2775	278.225708733123
Cond-012738	NSC55957	55957	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9905477112913	C(=C\C(=O)OCC=C)\C(=O)NC(=O)N	InChI=1S/C8H10N2O4/c1-2-5-14-7(12)4-3-6(11)10-8(9)13/h2-4H,1,5H2,(H3,9,10,11,13)/b4-3-	C8H10N2O4	198.176	6	3	98.49	0	7	0	0.1312	-0.44703	1.68	-0.118	46.2036	50.7251	1.4552	190.896469422311
Cond-012739	NSC56287	56287	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.634267572899	Clc1nc(nc(c1Br)Nc1c[nH]c(=O)[nH]c1=O)SC	InChI=1S/C9H7BrClN5O2S/c1-19-9-14-5(11)4(10)6(15-9)13-3-2-12-8(18)16-7(3)17/h2H,1H3,(H,13,14,15)(H2,12,16,17,18)	C9H7BrClN5O2S	364.606	7	3	121.31	2	3	0	0.4438	2.23656	1.35	1.732	55.2636	78.7711	1.9788	238.356615974756
Cond-012740	NSC56410	56410	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.279590533659	O=C1C2=C(N3C(C2COC(=O)N)(C2N(C2C3)C)OC)C(=O)C(=C1N)C	InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)	C16H20N4O5	348.354	9	4	127.96	4	4	0	-1.3555	-1.85863	2.23	-1.147	86.1935	87.0518	2.4063	310.62225874294
Cond-012741	NSC56455	56455	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.76620471386	n1c(=S)c2ncn(c2[nH]c1N)C1CCCC1	InChI=1S/C10H13N5S/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)	C10H13N5S	235.309	5	3	100.32	3	1	0	-1.5293	2.22428	1.9	0.757	41.8744	68.7591	1.6823	196.4939191523
Cond-012742	NSC56906	56906	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.1456463147161	O=c1n(c(nc(c1N=O)NC)SC)C	InChI=1S/C7H10N4O2S/c1-8-5-4(10-13)6(12)11(2)7(9-5)14-3/h8H,1-3H3	C7H10N4O2S	214.245	6	1	99.43	1	3	0	0.402399999999999	-0.35792	1.46	0.347	50.9548	54.9127	1.4944	186.802575869256
Cond-012743	NSC56914	56914	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.548364235605	O=c1[nH]c(=O)c(nn1C)C(=O)NC	InChI=1S/C6H8N4O3/c1-7-4(11)3-5(12)8-6(13)10(2)9-3/h1-2H3,(H,7,11)(H,8,12,13)	C6H8N4O3	184.153	7	2	90.87	1	2	0	-1.287	-1.09612	1.35	-0.383	40.3221	47.4504	1.2487	159.78779388635
Cond-012744	NSC57103	57103	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	22.4997588112559	n1c2c(c(cc(c2ccc1)N(=O)=O)N(=O)=O)O	InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H	C9H5N3O5	235.153	8	1	119.4	2	2	0	0.8599	2.59858	1.57	2.486	10.3446	62.6818	1.4514	176.193606153706
Cond-012745	NSC57103	57103	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2c(c(cc(c2ccc1)N(=O)=O)N(=O)=O)O	InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H	C9H5N3O5	235.153	8	1	119.4	2	2	0	0.8599	2.59858	1.57	2.486	10.3446	62.6818	1.4514	176.193606153706
Cond-012746	NSC57165	57165	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.031354190944	n1c(Sc2ccccc2)c(ncc1)C	InChI=1S/C11H10N2S/c1-9-11(13-8-7-12-9)14-10-5-3-2-4-6-10/h2-8H,1H3	C11H10N2S	202.275	2	0	51.08	2	2	0	1.0301	2.954	2.34	3.316	13.526	54.237	1.5464	176.983164452867
Cond-012747	NSC57318	57318	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	77.2262844899904	C1C(=C(N(C1=O)CCCC)C)C(=O)OCC	InChI=1S/C12H19NO3/c1-4-6-7-13-9(3)10(8-11(13)14)12(15)16-5-2/h4-8H2,1-3H3	C12H19NO3	225.284	4	0	46.61	1	6	0	-0.5866	2.01598	2.34	1.469	58.8657	63.544	1.8377	233.20987971785
Cond-012748	NSC57345	57345	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.3210741445897	C1CCCC1OC(=O)CC1(CCCCC1)O	InChI=1S/C13H22O3/c14-12(16-11-6-2-3-7-11)10-13(15)8-4-1-5-9-13/h11,15H,1-10H2	C13H22O3	226.312	3	1	46.53	2	4	0	-2.3567	2.79139	2.56	2.872	48.3912	64.2428	1.8562	232.42556283635
Cond-012749	NSC57608	57608	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5722728673903	C(C)OC(=O)CC(=O)NC(C)(C)CCCCC(C)(C)NC(=O)CC(=O)OCC	InChI=1S/C20H36N2O6/c1-7-27-17(25)13-15(23)21-19(3,4)11-9-10-12-20(5,6)22-16(24)14-18(26)28-8-2/h7-14H2,1-6H3,(H,21,23)(H,22,24)	C20H36N2O6	400.51	8	2	110.8	0	17	1	0.446599999999997	2.47669	2.78	3.446	98.8086	108.6544	3.3064	418.665197034636
Cond-012750	NSC57624	57624	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.652635820337	O(C(=O)Nc1ccc(c(c1)C)c1ccc(cc1C)NC(=O)OC(C)C)C(C)C	InChI=1S/C22H28N2O4/c1-13(2)27-21(25)23-17-7-9-19(15(5)11-17)20-10-8-18(12-16(20)6)24-22(26)28-14(3)4/h7-14H,1-6H3,(H,23,25)(H,24,26)	C22H28N2O4	384.469	6	2	76.66	2	9	1	1.2204	5.56992000000001	3.22	6.428	58.9804	113.6184	3.0816	378.617960680447
Cond-012751	NSC57670	57670	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	42.882007239005	c1c(ccc(c1)C=C(C#N)C#N)C=C(C#N)C#N	InChI=1S/C14H6N4/c15-7-13(8-16)5-11-1-2-12(4-3-11)6-14(9-17)10-18/h1-6H	C14H6N4	230.224	4	0	95.16	1	2	0	0.6832	2.24851	2.56	3.244	42.9914	64.242	1.8128	237.156862484401
Cond-012752	NSC57741	57741	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5840053750312	n1c2nc(c(nc2ccc1N)C)C	InChI=1S/C9H10N4/c1-5-6(2)12-9-7(11-5)3-4-8(10)13-9/h3-4H,1-2H3,(H2,10,12,13)	C9H10N4	174.202	4	2	64.69	2	0	0	0.1291	1.98803	2.01	1.374	15.6871	52.6804	1.3437	148.512150260667
Cond-012753	NSC57794	57794	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.578397003704	n1c(=O)c2ncn(c2[nH]c1N)C1CCCC1	InChI=1S/C10H13N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)	C10H13N5O	219.243	6	3	85.3	3	1	0	-2.4284	1.74996	1.9	0.859	33.8835	64.4281	1.5775	186.775121795261
Cond-012754	NSC5784	5784	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5111225826832	C(=O)(c1ccccc1)NC(=S)N	InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)	C8H8N2OS	180.227	3	3	87.21	1	3	0	0.1479	0.62839	1.9	2.016	22.875	53.7151	1.334	159.778354677428
Cond-012755	NSC57890	57890	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.494568690864	n1c(cc(nc1)NC(=O)C)NC(=O)C	InChI=1S/C8H10N4O2/c1-5(13)11-7-3-8(10-4-9-7)12-6(2)14/h3-4H,1-2H3,(H2,9,10,11,12,13,14)	C8H10N4O2	194.191	6	2	83.98	1	4	0	-1.2498	1.63257	1.68	-0.0389999999999999	25.7318	55.1664	1.4288	172.053077736723
Cond-012756	NSC58347	58347	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.993371840569	O=C1NC(=O)C(/N=N/c2ccc(Cl)cc2)C(=O)N1C	InChI=1S/C11H9ClN4O3/c1-16-10(18)8(9(17)13-11(16)19)15-14-7-4-2-6(12)3-5-7/h2-5,8H,1H3,(H,13,17,19)	C11H9ClN4O3	280.667	7	1	91.2	2	2	0	-0.1852	0.99618	1.79	1.46	34.4607	69.7337	1.838	230.312949982917
Cond-012757	NSC5836	5836	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.482967020136	N1(C(=CC(NC1=S)(C)C)C)c1cccc2c1ccc(c2)S(=O)(=O)O	InChI=1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)15-6-4-5-12-9-13(24(20,21)22)7-8-14(12)15/h4-10H,1-3H3,(H,18,23)(H,20,21,22)	C17H18N2O3S2	362.466	5	2	110.11	3	2	0	0.784499999999998	3.90348	2.56	3.702	57.9997	95.2375	2.5798	310.645858965751
Cond-012758	NSC5856	5856	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.483844617643	c1c(cccc1)C(=O)NC(=S)Nc1cc(c(cc1)C)NC(=S)NC(=O)c1ccccc1	InChI=1S/C23H20N4O2S2/c1-15-12-13-18(24-22(30)26-20(28)16-8-4-2-5-9-16)14-19(15)25-23(31)27-21(29)17-10-6-3-7-11-17/h2-14H,1H3,(H2,24,26,28,30)(H2,25,27,29,31)	C23H20N4O2S2	448.561	6	4	146.44	3	10	1	0.9378	5.1915	3.11	7.796	51.2521	134.1133	3.3081	400.906308231924
Cond-012759	NSC58724	58724	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.387218463179	O1C2C3C(=O)N(C(=O)C3C1C=C2)Nc1ccccc1	InChI=1S/C14H12N2O3/c17-13-11-9-6-7-10(19-9)12(11)14(18)16(13)15-8-4-2-1-3-5-8/h1-7,9-12,15H	C14H12N2O3	256.257	5	1	58.64	4	2	0	-1.2552	1.51197	2.45	2.637	41.6597	71.0757	1.7645	222.91985697295
Cond-012760	NSC58904	58904	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	100.319099951429	C(=N)(C(C(=O)NOC(=O)c1ccccc1)Cc1ccccc1)NOC(=O)c1ccccc1	InChI=1S/C24H21N3O5/c25-21(26-31-23(29)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(28)27-32-24(30)19-14-8-3-9-15-19/h1-15,20H,16H2,(H2,25,26)(H,27,28)	C24H21N3O5	431.441	8	3	117.58	3	12	2	-1.1171	2.62856	3.22	8.711	37.0997	120.4266	3.19830000000001	396.558164636108
Cond-012761	NSC58907	58907	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.586587162558	n1c(=S)c2ncn(c2[nH]c1N)CCCCC	InChI=1S/C10H15N5S/c1-2-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16/h6H,2-5H2,1H3,(H3,11,13,14,16)	C10H15N5S	237.325	5	3	100.32	2	4	0	-1.128	2.29938	1.9	1.417	46.1758	70.7791	1.7909	208.8503778531
Cond-012762	NSC5907	5907	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.656121801424	c1c2c(c(ccn2)/C=C/c2ccnc3c2cc(cc3)OC)cc(c1)OC.*.O=C(C)O		C24H22N2O4	402.442	4	0	44.24	4	4	1	0.3642	5.48937	3.44	5.268	24.9502	105.746	2.618	306.615213775324
Cond-012763	NSC59430	59430	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.9628273647038	n1c(=O)c(c([nH]c1SC)O)Nc1cccc(Cl)c1	InChI=1S/C11H10ClN3O2S/c1-18-11-14-9(16)8(10(17)15-11)13-7-4-2-3-6(12)5-7/h2-5,13H,1H3,(H2,14,15,16,17)	C11H10ClN3O2S	283.734	5	3	99.02	2	3	0	0.2029	2.98566	1.9	4.43	45.8119	77.8532	1.886	231.671445832589
Cond-012764	NSC59620	59620	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.769858736129	O=C1[C@@]2([C@H]3C(=O)C=C(C[C@H]3C[C@H]2[C@H]2[C@H](C1)[C@]1(CC[C@@H](C[C@@H]1CC2)OC(=O)C)C)C)C	InChI=1S/C26H36O4/c1-14-9-16-11-21-19-6-5-17-12-18(30-15(2)27)7-8-25(17,3)20(19)13-23(29)26(21,4)24(16)22(28)10-14/h10,16-21,24H,5-9,11-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,24+,25-,26+/m0/s1	C26H36O4	412.562	4	0	60.44	5	2	0	0.520699999999998	5.06128000000001	3.88	4.515	111.0541	116.388	3.2918	421.084837468381
Cond-012765	NSC59776	59776	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.8227363586297	n1c[nH]c(c1c1ccccc1)c1ccccc1	InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)	C15H12N2	220.269	2	1	28.68	3	2	1	-0.4204	4.16898	2.89	5.855	3.3	73.742	1.7519	199.128702796334
Cond-012766	NSC59782	59782	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.447997881776	N1(C(=C(N(C1)C)c1ccncc1)c1ccncc1)C	InChI=1S/C15H16N4/c1-18-11-19(2)15(13-5-9-17-10-6-13)14(18)12-3-7-16-8-4-12/h3-10H,11H2,1-2H3	C15H16N4	252.314	4	0	32.26	3	2	0	-0.1893	1.84549	2.67	3.469	30.3973	73.827	1.9945	234.658681913467
Cond-012767	NSC5995	5995	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.070866907772	n1ccccc1NC(=O)Nc1ccccc1	InChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)	C12H11N3O	213.235	4	2	54.02	2	4	0	-0.6277	3.52377	2.34	3.329	9.9426	66.6604	1.6393	192.920653229062
Cond-012768	NSC59984	59984	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	85.5887410298259	N1(CCN(CC1)C(=O)/C=C/c1oc(cc1)N(=O)=O)C	InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/b4-2+	C12H15N3O4	265.265	7	0	79.83	2	4	0	0.3942	0.81127	2.01	0.887	50.6376	74.691	1.9014	235.464250732345
Cond-012769	NSC60013	60013	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	106.865183695767	Clc1c2c(C(=O)c3c(Cl)c(ccc3C2=O)N)ccc1N	InChI=1S/C14H8Cl2N2O2/c15-11-7(17)3-1-5-9(11)14(20)6-2-4-8(18)12(16)10(6)13(5)19/h1-4H,17-18H2	C14H8Cl2N2O2	307.132	4	4	86.18	3	0	0	-0.5388	2.90159	2.34	1.362	30.3674	81.6153	1.9732	240.735307112456
Cond-012770	NSC60034	60034	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.770294030115	n1c(cccc1C)C(C(c1nc(ccc1)C)O)O	InChI=1S/C14H16N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13-14,17-18H,1-2H3	C14H16N2O2	244.289	4	2	66.24	2	3	0	-0.1424	1.53724	2.56	2.388	23.39	66.7316000000001	1.923	227.942547673989
Cond-012771	NSC60037	60037	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	14.0812829631563	c1(ccc(c(n1)N)/N=N\c1cnc(cc1)OCCCC)N	InChI=1S/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)/b20-19-	C14H18N6O	286.332	7	4	111.77	2	6	0	-2.167	3.43587	2.23	3.232	26.4974	84.5488	2.2205	260.502903105295
Cond-012772	NSC60037	60037	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1(ccc(c(n1)N)/N=N\c1cnc(cc1)OCCCC)N	InChI=1S/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)/b20-19-	C14H18N6O	286.332	7	4	111.77	2	6	0	-2.167	3.43587	2.23	3.232	26.4974	84.5488	2.2205	260.502903105295
Cond-012773	NSC601351	601351	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.243140506934	n1(c(ncc1)N(=O)=O)CC(CN1[C@H]([C@@H]1C)C)O	InChI=1S/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3/t7-,8-,9?/m0/s1	C10H16N4O3	240.259	7	1	84.2	2	5	0	0.200800000000001	1.07088	1.79	0.4	43.6661	64.5418	1.7467	208.351732389817
Cond-012774	NSC601359	601359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	108.431480766404	c1cccc2c1c(c(cc2)C(=O)Nc1c2ccccc2c(cc1)Br)O	InChI=1S/C21H14BrNO2/c22-18-11-12-19(16-8-4-3-7-15(16)18)23-21(25)17-10-9-13-5-1-2-6-14(13)20(17)24/h1-12,24H,(H,23,25)	C21H14BrNO2	392.245	3	2	49.33	4	3	1	-0.2063	6.28188	3.33	7.385	18.6052	108.4785	2.5523	297.606087918857
Cond-012775	NSC60183	60183	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.235158477363	O=c1on(c(c1C(CC)C)N)S(=O)(=O)c1ccc(cc1)C	InChI=1S/C14H18N2O4S/c1-4-10(3)12-13(15)16(20-14(12)17)21(18,19)11-7-5-9(2)6-8-11/h5-8,10H,4,15H2,1-3H3	C14H18N2O4S	310.369	6	2	98.08	2	4	0	-0.9573	1.65529	2.23	4.005	51.6424	75.5854	2.2469	277.568483833512
Cond-012776	NSC60239	60239	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3454662750905	c1(ccccc1CC=C)OCC(=O)O	InChI=1S/C11H12O3/c1-2-5-9-6-3-4-7-10(9)14-8-11(12)13/h2-4,6-7H,1,5,8H2,(H,12,13)	C11H12O3	192.211	3	1	46.53	1	5	0	0.433	2.53937	2.34	2.829	28.3022	58.5078	1.511	188.744217482217
Cond-012777	NSC60266	60266	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.6580071550932	n1c(=O)c(c[nH]c1SCC)C(=O)OCC	InChI=1S/C9H12N2O3S/c1-3-14-8(13)6-5-10-9(15-4-2)11-7(6)12/h5H,3-4H2,1-2H3,(H,10,11,12)	C9H12N2O3S	228.268	5	1	93.06	1	5	0	0.2282	0.73007	1.79	2.151	55.8476	62.2137	1.6353	208.191251405217
Cond-012778	NSC60303	60303	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	74.4772541715776	Clc1cc(c(cc1)C(=O)O)Nc1ccc(nc1)OC	InChI=1S/C13H11ClN2O3/c1-19-12-5-3-9(7-15-12)16-11-6-8(14)2-4-10(11)13(17)18/h2-7,16H,1H3,(H,17,18)	C13H11ClN2O3	278.691	5	2	71.45	2	4	0	0.0322999999999998	4.15907	2.23	2.91	23.4507	76.7885	1.9202	232.011398818317
Cond-012779	NSC603071	603071	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	83.4627306554956	c1ccc2c(c1N)cc1Cn3c(=O)c4c(cc3c1n2)[C@](C(=O)OC4)(CC)O	InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1	C20H17N3O4	363.367	7	3	105.75	5	1	0	-2.3369	1.55126	2.89	0.892	58.5823	100.1042	2.5308	315.31691683368
Cond-012780	NSC60339	60339	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	22.9644267859032	N1C(=NCC1)c1ccc(cc1)NC(=O)c1c(Cl)cc(cc1)C(=O)Nc1ccc(C2=NCCN2)cc1	InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)	C26H23ClN6O2	486.953	8	4	106.98	5	8	0	-1.8805	4.71277	3.33	4.184	56.371	142.5633	3.50860000000001	428.267884779491
Cond-012781	NSC60373	60373	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.122909808185	N1(CCCCC1)C(=O)CCCCC	InChI=1S/C11H21NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-10H2,1H3	C11H21NO	183.291	2	0	20.31	1	5	0	-2.2535	2.81309	2.45	2.676	44.7834	57.816	1.6654	203.606359092461
Cond-012782	NSC60377	60377	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.074883165053	N1(CCCC1)C(=O)CCCCC	InChI=1S/C10H19NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-9H2,1H3	C10H19NO	169.264	2	0	20.31	1	5	0	-1.9655	2.42299	2.34	2.318	41.8718	53.199	1.5245	186.310374466595
Cond-012783	NSC60419	60419	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.35662478915436	n1cc2c3c(c1)c1ccccc1c3ccc2	InChI=1S/C15H9N/c1-2-6-12-11(5-1)13-7-3-4-10-8-16-9-14(12)15(10)13/h1-9H	C15H9N	203.239	1	0	12.89	4	0	1	0	3.979	3	5.252	0	67.941	1.5435	164.875483887367
Cond-012784	NSC60419	60419	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1cc2c3c(c1)c1ccccc1c3ccc2	InChI=1S/C15H9N/c1-2-6-12-11(5-1)13-7-3-4-10-8-16-9-14(12)15(10)13/h1-9H	C15H9N	203.239	1	0	12.89	4	0	1	0	3.979	3	5.252	0	67.941	1.5435	164.875483887367
Cond-012785	NSC60423	60423	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	12.3994642430336	Clc1cc(c(cc1)C(=O)O)Nc1ccc(nc1)OCCCC	InChI=1S/C16H17ClN2O3/c1-2-3-8-22-15-7-5-12(10-18-15)19-14-9-11(17)4-6-13(14)16(20)21/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)	C16H17ClN2O3	320.771	5	2	71.45	2	7	0	-0.583099999999999	5.32937	2.56	4.26	34.1881	90.6395000000001	2.3429	283.899352695917
Cond-012786	NSC60423	60423	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1cc(c(cc1)C(=O)O)Nc1ccc(nc1)OCCCC	InChI=1S/C16H17ClN2O3/c1-2-3-8-22-15-7-5-12(10-18-15)19-14-9-11(17)4-6-13(14)16(20)21/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)	C16H17ClN2O3	320.771	5	2	71.45	2	7	0	-0.583099999999999	5.32937	2.56	4.26	34.1881	90.6395000000001	2.3429	283.899352695917
Cond-012787	NSC60530	60530	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.645073922458	n1c(nn2nncc2c1N)N	InChI=1S/C4H5N7/c5-3-2-1-7-10-11(2)9-4(6)8-3/h1H,(H4,5,6,8,9)	C4H5N7	151.129	7	4	108.01	2	0	0	-1.4866	-0.10073	1.13	-1.331	11.3422	40.5248	0.9816	97.6589664566336
Cond-012788	NSC605333	605333	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.017018599939	c1cccc2c1sc1c2[nH]c2c1cccc2	InChI=1S/C14H9NS/c1-3-7-11-9(5-1)14-13(15-11)10-6-2-4-8-12(10)16-14/h1-8,15H	C14H9NS	223.293	1	1	44.03	4	0	0	0.1702	3.91668	2.78	4.433	11.0935	69.213	1.6091	168.7249820199
Cond-012789	NSC60548	60548	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.153449717205	c1(sc(c(n1)O)CC(=O)O)O	InChI=1S/C5H5NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h9H,1H2,(H,6,10)(H,7,8)	C5H5NO4S	175.162	5	3	118.89	1	2	0	-0.535	0.82048	1.35	-0.974	24.6912	41.0674	1.0736	128.537238094945
Cond-012790	NSC60659	60659	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.494827453567	n1c2c(nc(c1c1ccccn1)c1ccccn1)cc(c(c2)C)C	InChI=1S/C20H16N4/c1-13-11-17-18(12-14(13)2)24-20(16-8-4-6-10-22-16)19(23-17)15-7-3-5-9-21-15/h3-12H,1-2H3	C20H16N4	312.368	4	0	51.56	4	2	1	1.284	4.71702	3.22	5.128	11.0042	97.1300000000001	2.4184	276.436311538801
Cond-012791	NSC607097	607097	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.105403985197	c12cccc(c1C(N1C(C2)C2N(C(C1C#N)CC2C(=O)O)C)CO)OC	InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)	C19H23N3O4	357.404	7	2	97.03	4	3	0	-0.762300000000001	0.91519	2.78	0.178	69.3564	95.7016000000001	2.6275	329.186767011013
Cond-012792	NSC60785	60785	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.398218239393	c1ccc2c(c1)c1c([nH]2)CC2C(C1)(C1CCC3(C(C1CC2)CCC3O)C)C	InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3	C25H33NO	363.536	2	2	36.02	6	0	1	0.247900000000001	5.40949000000001	3.99	7.224	73.3097	111.0628	2.966	354.258474248197
Cond-012793	NSC6101	6101	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	87.4308313230181	O(C1CCCCC1)C(=O)c1ccccc1C(=O)OC1CCCCC1	InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2	C20H26O4	330.418	4	0	52.6	3	6	1	-3.163	4.63399000000001	3.22	5.99	48.4952	94.0405000000001	2.6206	328.485388413979
Cond-012794	NSC6137	6137	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.821152545448	C12C(C3C(C(C1C(=O)O)C(=O)O3)O2)Br	InChI=1S/C8H7BrO5/c9-3-4-1(7(10)11)2-5(13-4)6(3)14-8(2)12/h1-6H,(H,10,11)	C8H7BrO5	263.042	5	1	72.83	3	1	0	-0.0872000000000004	0.00718999999999992	1.68	-0.381	44.564	49.1148	1.2925	167.816794684106
Cond-012795	NSC6145	6145	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	88.5840136876996	c1c(c(ccc1)C(=O)c1ccccc1)C(=O)c1ccccc1	InChI=1S/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H	C20H14O2	286.324	2	0	34.14	3	4	1	-0.5276	4.11699	3.44	7.714	10.692	89.2125	2.2452	273.286182808056
Cond-012796	NSC61610	61610	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4752875962888	c1ccc2c(c1)nc(c1cc(ccc1)NC(=O)c1ccc(cc1)C(=O)Nc1cc(c3nc4c(cccc4)[nH]3)ccc1)[nH]2	InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	C34H24N6O2	548.593	8	4	115.56	7	8	1	-2.1104	8.38975	4.32	8.076	21.483	173.6299	4.03820000000001	467.293024409592
Cond-012797	NSC61642	61642	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.694760292759	n1c(c(nc2nc(nc(c12)N)N)c1ccc(cc1)N)c1ccc(cc1)N	InChI=1S/C18H16N8/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)24-17-15(23-13)16(21)25-18(22)26-17/h1-8H,19-20H2,(H4,21,22,24,25,26)	C18H16N8	344.373	8	8	155.64	4	2	0	-2.9996	3.39497	2.56	1.552	16.8884	108.5406	2.5358	285.831383119735
Cond-012798	NSC61888	61888	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.0726454734088	n1c2c(cccc2C)cc2cccc(c12)C	InChI=1S/C15H13N/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3-9H,1-2H3	C15H13N	207.27	1	0	12.89	3	0	0	1.284	3.84923	3	4.88	11.0042	67.57	1.6951	190.768401288967
Cond-012799	NSC61910	61910	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.712281941746	n1c(=O)c(c([nH]c1)O)Nc1cc(c(cc1)C)C	InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)15-10-11(16)13-6-14-12(10)17/h3-6,15H,1-2H3,(H2,13,14,16,17)	C12H13N3O2	231.251	5	3	73.72	2	2	0	-0.5376	1.6976	2.23	4.439	39.0616	67.6652	1.741	215.247338630423
Cond-012800	NSC61929	61929	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.478170729228	ClC1=C(Cl)C2(Cl)C1(Cl)C(=C(Cl)C2=O)O	InChI=1S/C7HCl5O2/c8-1-4(13)6(11)2(9)3(10)7(6,12)5(1)14/h13H	C7HCl5O2	294.347	2	1	37.3	2	0	0	2.1336	3.32177	1.46	2.232	57.5745	59.1178	1.4781	190.641849831156
Cond-012801	NSC62129	62129	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.680726332498	[nH]1cnc2c1c1ccc(cc1cc2)O	InChI=1S/C11H8N2O/c14-8-2-3-9-7(5-8)1-4-10-11(9)13-6-12-10/h1-6,14H,(H,12,13)	C11H8N2O	184.194	3	2	48.91	3	0	0	-0.8807	2.71558	2.34	1.762	5.8646	59.157	1.333	144.007908395028
Cond-012802	NSC622175	622175	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	12.8179453986212	Nc1ncnc2c1ncn2C=C=CCO	InChI=1S/C9H9N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h2-3,5-6,15H,4H2,(H2,10,11,12)	C9H9N5O	203.201	6	3	89.85	2	2	0	-0.9434	0.836980000000001	1.79	1.458	28.2389	57.7462	1.4592	165.662678468595
Cond-012803	NSC622608	622608	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.9668635940662	N(C)(C)c1n/c(=N/Cc2ccco2)/ss1.Br	InChI=1S/C9H11N3OS2.BrH/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7;/h3-5H,6H2,1-2H3;1H/b10-8-;	C9H12BrN3OS2	322.245	4	0	91.7	2	3	0	0.9678	1.98719	1.79	1.566	47.8243	68.639	1.6726	196.860123569061
Cond-012804	NSC622608	622608	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N(C)(C)c1n/c(=N/Cc2ccco2)/ss1.Br	InChI=1S/C9H11N3OS2.BrH/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7;/h3-5H,6H2,1-2H3;1H/b10-8-;	C9H12BrN3OS2	322.245	4	0	91.7	2	3	0	0.9678	1.98719	1.79	1.566	47.8243	68.639	1.6726	196.860123569061
Cond-012805	NSC622689	622689	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	37.0188816605441	s1s/c(=N\c2cccc(c2)Cl)/nc1N(C)C.Br	InChI=1S/C10H10ClN3S2.BrH/c1-14(2)10-13-9(15-16-10)12-8-5-3-4-7(11)6-8;/h3-6H,1-2H3;1H/b12-9-;	C10H11BrClN3S2	352.701	3	0	78.56	2	2	0	2.0788	3.43548	1.9	3.281	47.2954	76.481	1.8342	217.940490564
Cond-012806	NSC622691	622691	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	18.2966441104643	s1sc(=S)n(/c/1=N/C(=S)N(C)C)Cc1ccco1	InChI=1S/C10H11N3OS4/c1-12(2)8(15)11-9-13(10(16)18-17-9)6-7-4-3-5-14-7/h3-5H,6H2,1-2H3/b11-9-	C10H11N3OS4	317.474	4	0	146.76	2	4	0	2.7156	2.50299	1.68	1.992	70.1784	88.239	2.0975	248.537697609328
Cond-012807	NSC622691	622691	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	s1sc(=S)n(/c/1=N/C(=S)N(C)C)Cc1ccco1	InChI=1S/C10H11N3OS4/c1-12(2)8(15)11-9-13(10(16)18-17-9)6-7-4-3-5-14-7/h3-5H,6H2,1-2H3/b11-9-	C10H11N3OS4	317.474	4	0	146.76	2	4	0	2.7156	2.50299	1.68	1.992	70.1784	88.239	2.0975	248.537697609328
Cond-012808	NSC623109	623109	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.544524182054	C1N(C)CCN(C1)c1nc(Cl)c(Br)c(N)n1	InChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)9-13-7(11)6(10)8(12)14-9/h2-5H2,1H3,(H2,12,13,14)	C9H13BrClN5	306.59	5	2	58.28	2	1	0	0.8477	1.63169	1.68	0.591	49.2649	69.9054	1.8269	210.176514618434
Cond-012809	NSC62318	62318	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9600078022708	n1c(=S)c2ncn(c2[nH]c1)C(C)C	InChI=1S/C8H10N4S/c1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h3-5H,1-2H3,(H,9,10,13)	C8H10N4S	194.257	4	1	74.3	2	1	0	-0.350699999999999	2.49627	1.79	0.706	40.8767	58.5257	1.4093	163.2616483932
Cond-012810	NSC623638	623638	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.8131329703251	c12c(cccc1)c(c(n2C)C(C)C(=O)OCC)C(=O)c1cnc(cc1)C	InChI=1S/C21H22N2O3/c1-5-26-21(25)14(3)19-18(16-8-6-7-9-17(16)23(19)4)20(24)15-11-10-13(2)22-12-15/h6-12,14H,5H2,1-4H3	C21H22N2O3	350.411	5	0	61.19	3	6	0	0.8476	4.54319	3.22	4.056	45.3095	104.6015	2.7304	326.638831952419
Cond-012811	NSC62375	62375	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.526625653374	O=CN1C(CN(C(C1)C)CCN1CC(N(CC1C)C=O)C)C	InChI=1S/C16H30N4O2/c1-13-9-19(11-21)15(3)7-17(13)5-6-18-8-16(4)20(12-22)10-14(18)2/h11-16H,5-10H2,1-4H3	C16H30N4O2	310.435	6	0	47.1	2	5	0	-1.3078	0.32229	2.56	0.148	88.8434	89.7770000000001	2.5764	316.873872145257
Cond-012812	NSC62511	62511	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2676574087835	C1C(CC(C(C1O)O)O)C(=O)OC	InChI=1S/C8H14O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h4-7,9-11H,2-3H2,1H3	C8H14O5	190.194	5	3	86.99	1	2	0	-1.1544	-1.11401	1.79	-0.711	42.4011	46.0034	1.3777	175.882551808939
Cond-012813	NSC62609	62609	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.4545727362633	[nH]1c(nc2c1cccc2)c1ccncc1	InChI=1S/C12H9N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)	C12H9N3	195.22	3	1	41.57	3	1	0	-0.4204	2.59659	2.45	2.681	3.3	61.682	1.472	160.8739678277
Cond-012814	NSC62611	62611	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.315856399276	s1c2ccccc2nc1c1ncccc1	InChI=1S/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H	C12H8N2S	212.27	2	0	54.02	3	1	0	0.5906	4.21708	2.45	3.478	7.7935	65.817	1.5357	168.386231677134
Cond-012815	NSC62665	62665	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.499563266833	Clc1nc(Cl)c2[nH]c(=O)[nH]c2n1	InChI=1S/C5H2Cl2N4O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H2,8,9,10,11,12)	C5H2Cl2N4O	205.002	5	2	66.91	2	0	0	0.2056	1.93888	1.24	0.388	22.0369	47.7904	1.1266	132.077032699428
Cond-012816	NSC6268	6268	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.830042185796	N(=N\c1c(c(/N=N/c2ccccc2)ccc1O)O)/c1ccccc1	InChI=1S/C18H14N4O2/c23-16-12-11-15(21-19-13-7-3-1-4-8-13)18(24)17(16)22-20-14-9-5-2-6-10-14/h1-12,23-24H	C18H14N4O2	318.329	6	2	89.9	3	4	1	-0.9206	6.09457	2.78	7.056	5.1292	95.0568	2.3626	282.68125438899
Cond-012817	NSC62685	62685	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.6286531872812	Clc1cc(N2N=C(CC2=O)C(=O)O)c(Cl)cc1S(=O)(=O)O	InChI=1S/C10H6Cl2N2O6S/c11-4-2-8(21(18,19)20)5(12)1-7(4)14-9(15)3-6(13-14)10(16)17/h1-2H,3H2,(H,16,17)(H,18,19,20)	C10H6Cl2N2O6S	353.135	8	2	132.72	2	3	0	0.00170000000000009	3.25918	1.35	0.0509999999999998	47.9637	77.1616	2.0025	253.750675571234
Cond-012818	NSC62840	62840	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.834172292832	C1CCCCC1NCCC(=O)O	InChI=1S/C9H17NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)	C9H17NO2	171.237	3	2	49.33	1	4	0	-2.1042	1.61729	2.12	1.621	37.7366	50.3715	1.4423	177.804616541289
Cond-012819	NSC62901	62901	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5892118220343	O=[As](c1ccc(cc1)NC(=O)C)(O)O	InChI=1S/C8H10AsNO4/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)14/h2-5H,1H3,(H,10,11)(H2,12,13,14)	C8H10AsNO4	259.091	5	3	86.63	1	3	0	-0.8808	0.0399799999999999	1.68	1.391	18.8644	54.7438	1.5399	181.199786892511
Cond-012820	NSC63001	63001	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	99.5713468002524	n1cccc(c1)/C=C(/c1ccc(cc1)OC)\C#N	InChI=1S/C15H12N2O/c1-18-15-6-4-13(5-7-15)14(10-16)9-12-3-2-8-17-11-12/h2-9,11H,1H3	C15H12N2O	236.269	3	0	45.91	2	3	0	0.2551	2.92898	2.78	3.2	22.6129	70.379	1.8762	228.538929496895
Cond-012821	NSC630602	630602	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	C1/C(=C\c2ccccc2)/C(=O)/C(=C/c2ccccc2)/CN1C(=O)OCC	InChI=1S/C22H21NO3/c1-2-26-22(25)23-15-19(13-17-9-5-3-6-10-17)21(24)20(16-23)14-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3/b19-13+,20-14+	C22H21NO3	347.407	4	0	46.61	3	5	1	0.5725	3.42737	3.44	7.842	51.7507	103.17	2.7285	341.201597669319
Cond-012822	NSC630602	630602	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	16.1066464580577	C1/C(=C\c2ccccc2)/C(=O)/C(=C/c2ccccc2)/CN1C(=O)OCC	InChI=1S/C22H21NO3/c1-2-26-22(25)23-15-19(13-17-9-5-3-6-10-17)21(24)20(16-23)14-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3/b19-13+,20-14+	C22H21NO3	347.407	4	0	46.61	3	5	1	0.5725	3.42737	3.44	7.842	51.7507	103.17	2.7285	341.201597669319
Cond-012823	NSC631160	631160	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.070657962597	n1nc(n(c1Sc1n(cnc1N(=O)=O)C)C)c1cccnc1	InChI=1S/C12H11N7O2S/c1-17-7-14-10(19(20)21)11(17)22-12-16-15-9(18(12)2)8-4-3-5-13-6-8/h3-7H,1-2H3	C12H11N7O2S	317.326	9	0	129.86	3	4	0	1.4817	2.78795	1.68	1.539	28.8729	80.861	2.1091	238.314027418289
Cond-012824	NSC63161	63161	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.548842805075	n1nc(n(c1Cc1ccccc1)N)Cc1ccccc1	InChI=1S/C16H16N4/c17-20-15(11-13-7-3-1-4-8-13)18-19-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12,17H2	C16H16N4	264.325	4	2	56.73	3	4	1	-0.4575	2.5614	2.78	6.275	17.9129	79.1724	2.0924	238.418207838534
Cond-012825	NSC632536	632536	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.267747115454	C1(NC(CC(C1)Nc1ccc(cc1)Nc1ccccc1)(C)C)(C)C	InChI=1S/C21H29N3/c1-20(2)14-19(15-21(3,4)24-20)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,19,22-24H,14-15H2,1-4H3	C21H29N3	323.475	3	3	36.09	3	4	1	0.387799999999999	5.75139000000001	3.44	5.97	49.7375	104.3481	2.7831	330.074288161302
Cond-012826	NSC63311	63311	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.189090856631	n1c(ccc(c1)CC)C=C(CC)CC	InChI=1S/C13H19N/c1-4-11(5-2)9-13-8-7-12(6-3)10-14-13/h7-10H,4-6H2,1-3H3	C13H19N	189.297	1	0	12.89	1	4	0	1.1929	4.06988	2.78	4.453	40.15	62.153	1.7595	210.598725541234
Cond-012827	NSC63314	63314	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.658884783213	n1c(ccc(c1)CC)/C=C(/CCC)\C	InChI=1S/C13H19N/c1-4-6-11(3)9-13-8-7-12(5-2)10-14-13/h7-10H,4-6H2,1-3H3/b11-9+	C13H19N	189.297	1	0	12.89	1	4	0	1.0468	4.06988	2.78	4.558	38.6268	62.153	1.7595	210.598725541234
Cond-012828	NSC634396	634396	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.503222466347	c1cccc2c1SC(C(=O)N2)CC(=O)Nc1cccc(c1C)Cl	InChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)	C17H15ClN2O2S	346.831	4	2	83.5	3	4	0	0.585	5.2984	2.67	3.346	41.6662	97.0504	2.437	295.921217277223
Cond-012829	NSC63543	63543	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2531613176576	O=C1C=C[C@@]2([C@H]3C(=O)C[C@@]4([C@H](CC[C@H]4[C@@H]3CCC2=C1)C(=O)C)C)C	InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-17,19H,4-7,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1	C21H26O3	326.429	3	0	51.21	4	1	0	0.523699999999999	3.76477	3.44	2.796	93.3634	93.8800000000001	2.5942	335.534687638485
Cond-012830	NSC636717	636717	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	91.7645837158231	C1(=O)/C(=C/c2ccccc2OC)/Cc2c1cccc2	InChI=1S/C17H14O2/c1-19-16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)18/h2-9,11H,10H2,1H3/b14-11+	C17H14O2	250.292	2	0	26.3	3	2	0	0.4128	3.30328	3.11	4.903	26.3613	77.407	1.9515	240.207605032856
Cond-012831	NSC636718	636718	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	33.5079053113864	C1(=O)/C(=C/c2cc(ccc2)OC)/CCc2c1cccc2	InChI=1S/C18H16O2/c1-20-16-7-4-5-13(12-16)11-15-10-9-14-6-2-3-8-17(14)18(15)19/h2-8,11-12H,9-10H2,1H3/b15-11+	C18H16O2	264.318	2	0	26.3	3	2	1	0.0813999999999999	3.69338	3.22	5.472	31.4911	82.024	2.0924	257.503589658723
Cond-012832	NSC636734	636734	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.350446098886	C1(=O)/C(=C/c2ccc(cc2)N(=O)=O)/CCc2c1cccc2	InChI=1S/C17H13NO3/c19-17-14(8-7-13-3-1-2-4-16(13)17)11-12-5-9-15(10-6-12)18(20)21/h1-6,9-11H,7-8H2/b14-11+	C17H13NO3	279.29	4	0	60.21	3	2	1	0.793300000000001	3.45198	2.89	5.803	28.0653	84	2.067	257.358133240784
Cond-012833	NSC63680	63680	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	71.84739960443	N1C(=NCCC1)c1ccc(cc1)NC(=O)Nc1ccc(cc1)C1=NCCCN1	InChI=1S/C21H24N6O/c28-21(26-17-7-3-15(4-8-17)19-22-11-1-12-23-19)27-18-9-5-16(6-10-18)20-24-13-2-14-25-20/h3-10H,1-2,11-14H2,(H,22,23)(H,24,25)(H2,26,27,28)	C21H24N6O	376.455	7	4	89.91	4	6	0	-2.5589	3.60857	3	3.304	51.6382	116.9128	2.9036	351.588960683163
Cond-012834	NSC637153	637153	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.75735417661957	c1c(ccc(c1)C=C(C(=O)OCC)C(=O)OCC)Br	InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3	C14H15BrO4	327.171	4	0	52.6	1	7	0	1.6842	3.00988	2.45	4.884	50.262	77.566	2.1244	266.069558337145
Cond-012835	NSC637153	637153	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(ccc(c1)C=C(C(=O)OCC)C(=O)OCC)Br	InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3	C14H15BrO4	327.171	4	0	52.6	1	7	0	1.6842	3.00988	2.45	4.884	50.262	77.566	2.1244	266.069558337145
Cond-012836	NSC637290	637290	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.577330681089	c1(cccc(c1)/C=C(/C(=O)OCC)\C#N)C	InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-5-10(2)7-11/h4-8H,3H2,1-2H3/b12-8+	C13H13NO2	215.248	3	0	50.09	1	4	0	1.2105	2.0682	2.56	4.612	37.0814	60.761	1.7479	220.269802839956
Cond-012837	NSC637317	637317	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	6.32512128529761	c1cc(ccc1/C=C(/P(=O)(OCC)OCC)\C#N)Br	InChI=1S/C13H15BrNO3P/c1-3-17-19(16,18-4-2)13(10-15)9-11-5-7-12(14)8-6-11/h5-9H,3-4H2,1-2H3/b13-9+	C13H15BrNO3P	344.141	4	0	69.13	1	6	0	1.2113	3.48318	2.23	3.198	53.8489	72.813	2.2292	270.807360626884
Cond-012838	NSC637317	637317	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(ccc1/C=C(/P(=O)(OCC)OCC)\C#N)Br	InChI=1S/C13H15BrNO3P/c1-3-17-19(16,18-4-2)13(10-15)9-11-5-7-12(14)8-6-11/h5-9H,3-4H2,1-2H3/b13-9+	C13H15BrNO3P	344.141	4	0	69.13	1	6	0	1.2113	3.48318	2.23	3.198	53.8489	72.813	2.2292	270.807360626884
Cond-012839	NSC637325	637325	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	72.9729691218735	c1cc(ccc1/C=C(/P(=O)(OCC)OCC)\C#N)N(=O)=O	InChI=1S/C13H15N2O5P/c1-3-19-21(18,20-4-2)13(10-14)9-11-5-7-12(8-6-11)15(16)17/h5-9H,3-4H2,1-2H3/b13-9+	C13H15N2O5P	310.242	7	0	112.27	1	7	0	0.9826	2.48788	2.01	2.651	49.1398	73.641	2.2284	277.464496557806
Cond-012840	NSC637343	637343	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.332010120696	c1cc(ccc1/C=C(/C(=O)c1ccccc1)\C#N)N(C)C	InChI=1S/C18H16N2O/c1-20(2)17-10-8-14(9-11-17)12-16(13-19)18(21)15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+	C18H16N2O	276.332	3	0	44.1	2	4	1	0.2609	3.42598	3.11	5.097	34.9345	85.5875000000001	2.2559	277.790424673695
Cond-012841	NSC637359	637359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	41.0666423773739	c1cc(ccc1/C=C(/C(=O)c1ccccc1)\C#N)C#N	InChI=1S/C17H10N2O/c18-11-14-8-6-13(7-9-14)10-16(12-19)17(20)15-4-2-1-3-5-15/h1-10H/b16-10+	C17H10N2O	258.274	3	0	64.65	2	3	1	0.0777999999999999	3.23166	3	5.268	26.8417	75.9755	2.029	255.221522646228
Cond-012842	NSC637578	637578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.904066107987	c1cc2cc(nc(c2cc1)NC(=N)c1ccccn1)c1ccccn1	InChI=1S/C20H15N5/c21-19(17-10-4-6-12-23-17)25-20-15-8-2-1-7-14(15)13-18(24-20)16-9-3-5-11-22-16/h1-13H,(H2,21,24,25)	C20H15N5	325.367	5	2	74.55	4	4	1	-0.4766	5.18037	3.11	5.922	8.6986	103.3164	2.4752	284.796613046168
Cond-012843	NSC637827	637827	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	39.2588935980136	C1Cc2c(C3(c4c1cccc4)OC(=O)C(=C)C3)cccc2	InChI=1S/C19H16O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-9H,1,10-12H2	C19H16O2	276.329	2	0	26.3	4	0	1	0.5819	3.11818	3.33	6.487	32.0072	82.183	2.1247	262.44311558379
Cond-012844	NSC638080	638080	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.1078563521172	c1c(O)c(c(cc1/C=C(\C#N)/C(=O)N)O)O	InChI=1S/C10H8N2O4/c11-4-6(10(12)16)1-5-2-7(13)9(15)8(14)3-5/h1-3,13-15H,(H2,12,16)/b6-1+	C10H8N2O4	220.182	6	5	127.57	1	2	0	-1.7088	0.07918	1.9	-0.48	30.4324	54.6768	1.5424	196.959062571645
Cond-012845	NSC638134	638134	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.951160667169	c1cc(c(cc1)/C=C(/C(=O)O)\C#N)OC	InChI=1S/C11H9NO3/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+	C11H9NO3	203.194	4	1	70.32	1	3	0	0.0152999999999997	1.57028	2.23	2.046	29.8322	54.6758	1.5248	194.468060288784
Cond-012846	NSC638432	638432	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	7.1996076383125	c1ccc2c(c1)c(=O)oc1c2n(c2c1ccc1c2cccc1)CCCN(C)C.Cl	InChI=1S/C24H22N2O2.ClH/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23;/h3-6,8-13H,7,14-15H2,1-2H3;1H	C24H23ClN2O2	406.905	4	0	34.47	5	4	1	-0.1249	5.86857000000001	3.66	6.43	35.8171	120.017	2.8342	331.487183027058
Cond-012847	NSC638432	638432	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1ccc2c(c1)c(=O)oc1c2n(c2c1ccc1c2cccc1)CCCN(C)C.Cl	InChI=1S/C24H22N2O2.ClH/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23;/h3-6,8-13H,7,14-15H2,1-2H3;1H	C24H23ClN2O2	406.905	4	0	34.47	5	4	1	-0.1249	5.86857000000001	3.66	6.43	35.8171	120.017	2.8342	331.487183027058
Cond-012848	NSC638636	638636	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.035577140621	CC(=O)CC[N+](C)(C)C.[I-]	InChI=1S/C7H16NO.HI/c1-7(9)5-6-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1	C7H16INO	257.113	2	0	17.07	0	3	0	-1.3445	0.90559	2.01	-0.323	37.1219	41.4404	1.2319	148.097108640195
Cond-012849	NSC63865	63865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.474652302076	O=C1NC2C(N1)C(SC2)CCCCC(=O)O	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)	C10H16N2O3S	244.311	5	3	103.73	2	5	0	-1.2457	0.39479	1.9	0.463	53.1453	64.4472	1.7536	218.403694731884
Cond-012850	NSC639174	639174	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.594866288877	c1ccc(c2c1nc1c(c2)Cn2c1cc1c(c2=O)COC(=O)[C@]1(O)CC)NC(=O)CN.Cl	InChI=1S/C22H20N4O5.ClH/c1-2-22(30)14-7-17-19-11(9-26(17)20(28)13(14)10-31-21(22)29)6-12-15(24-18(27)8-23)4-3-5-16(12)25-19;/h3-7,30H,2,8-10,23H2,1H3,(H,24,27);1H/t22-;/m0./s1	C22H21ClN4O5	456.879	9	4	134.85	5	4	0	-3.1735	0.866260000000002	2.89	0.0639999999999996	70.5858	113.3759	2.9281	367.059414293341
Cond-012851	NSC63963	63963	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8807484469981	[nH]1c2ccccc2c(c1)CC(N)CC.C(=O)(O)C	InChI=1S/C12H16N2.C2H4O2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12;1-2(3)4/h3-6,8,10,14H,2,7,13H2,1H3;1H3,(H,3,4)	C14H20N2O2	248.321	2	3	41.81	2	3	0	-1.395	2.37099	2.56	2.539	24.5957	61.7424	1.6098	181.043042422734
Cond-012852	NSC641396	641396	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	20.7312256953031	c1c(ccc2c1c1c(n2C)c2c(cc1)C(=O)C=CC2=O)OC	InChI=1S/C18H13NO3/c1-19-14-6-3-10(22-2)9-13(14)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19/h3-9H,1-2H3	C18H13NO3	291.301	4	0	48.3	4	1	0	-0.2095	3.57507	3	2.193	36.7709	88.5705000000001	2.0993	251.397659165851
Cond-012853	NSC641396	641396	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1c(ccc2c1c1c(n2C)c2c(cc1)C(=O)C=CC2=O)OC	InChI=1S/C18H13NO3/c1-19-14-6-3-10(22-2)9-13(14)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19/h3-9H,1-2H3	C18H13NO3	291.301	4	0	48.3	4	1	0	-0.2095	3.57507	3	2.193	36.7709	88.5705000000001	2.0993	251.397659165851
Cond-012854	NSC643029	643029	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	76.7193701823015	c1(ccc(cc1)/C=C/C(=O)C(C)(C)C)Oc1ccccc1	InChI=1S/C19H20O2/c1-19(2,3)18(20)14-11-15-9-12-17(13-10-15)21-16-7-5-4-6-8-16/h4-14H,1-3H3	C19H20O2	280.361	2	0	26.3	2	5	1	1.4994	5.65927	3.33	5.957	36.3354	90.6960000000001	2.3419	287.15603298539
Cond-012855	NSC643150	643150	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.382193785336	[nH]1cccc1/C=C(\C#N)/C(=O)c1ccccc1	InChI=1S/C14H10N2O/c15-10-12(9-13-7-4-8-16-13)14(17)11-5-2-1-3-6-11/h1-9,16H/b12-9+	C14H10N2O	222.242	3	1	56.65	2	3	0	-0.3773	2.20618	2.67	3.701	23.9431	66.0435	1.7353	211.242944871028
Cond-012856	NSC645033	645033	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	65.184011055288	c1(n(nnc1C1=NCCCN1)c1ccc(Cl)cc1)c1ccc(cc1)Cl	InChI=1S/C18H15Cl2N5/c19-13-4-2-12(3-5-13)17-16(18-21-10-1-11-22-18)23-24-25(17)15-8-6-14(20)7-9-15/h2-9H,1,10-11H2,(H,21,22)	C18H15Cl2N5	372.251	5	1	54.58	4	3	0	0.5362	4.86398	2.67	4.637	34.977	104.2467	2.5672	299.436155437701
Cond-012857	NSC645330	645330	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	11.0573123786753	c1cc(c2c(c1)n(c1c2ccc2c1C(=O)C=CC2=O)C)C	InChI=1S/C18H13NO2/c1-10-4-3-5-13-16(10)12-7-6-11-14(20)8-9-15(21)17(11)18(12)19(13)2/h3-9H,1-2H3	C18H13NO2	275.301	3	0	39.07	4	0	0	0.4843	3.59449	3.11	3.171	34.9572	85.6585	2.0406	242.607432465289
Cond-012858	NSC645987	645987	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	71.1437893745196	Oc1cc(n2cccn2)c(O)cc1n1cccn1	InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H	C12H10N4O2	242.233	6	2	75.06	3	2	0	-0.8942	1.88819	2.12	0.336	10.9252	67.3188	1.6892	189.451181436989
Cond-012859	NSC64672	64672	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3967854582013	O=c1n(c(=O)c2[nH]/c(=N\N=C\c3cc(c(cc3)O)OC)/[nH]c2n1C)C	InChI=1S/C15H16N6O4/c1-20-12-11(13(23)21(2)15(20)24)17-14(18-12)19-16-7-8-4-5-9(22)10(6-8)25-3/h4-7,22H,1-3H3,(H2,17,18,19)/b16-7+	C15H16N6O4	344.325	10	3	118.86	3	3	0	-1.5321	0.0341699999999996	2.01	2.715	62.5957	92.7022	2.3859	300.076650431246
Cond-012860	NSC646976	646976	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.971351948825	c1cccc2c1C(C(=O)N2)C(=O)C(=O)OCC	InChI=1S/C12H11NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9H,2H2,1H3,(H,13,15)	C12H11NO4	233.22	5	1	72.47	2	4	0	-0.7817	1.68848	2.23	1.551	32.6913	62.9387	1.6588	210.834271615211
Cond-012861	NSC647136	647136	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	40.3164410071112	c12cccc(c1nc1c(n2)cc(c(c1)C)C)OC	InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3	C15H14N2O	238.284	3	0	35.01	3	1	0	1.2322	3.65802	2.78	3.81	18.32	72.958	1.8536	210.555388197695
Cond-012862	NSC64859	64859	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.422446045925	Clc1c(Cl)c2C(=O)N(C(=O)c2c(Cl)c1Cl)N(C)C	InChI=1S/C10H6Cl4N2O2/c1-15(2)16-9(17)3-4(10(16)18)6(12)8(14)7(13)5(3)11/h1-2H3	C10H6Cl4N2O2	327.979	4	0	40.62	2	1	0	2.4367	3.34119	1.68	1.069	49.1368	73.6905	1.892	233.139338953056
Cond-012863	NSC64876	64876	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	81.281663006851	Clc1c(c(cc(c1)C(c1cc(c(c(Cl)c1)O)CN1CCOCC1)(C)C)CN1CCOCC1)O	InChI=1S/C25H32Cl2N2O4/c1-25(2,19-11-17(23(30)21(26)13-19)15-28-3-7-32-8-4-28)20-12-18(24(31)22(27)14-20)16-29-5-9-33-10-6-29/h11-14,30-31H,3-10,15-16H2,1-2H3	C25H32Cl2N2O4	495.439	6	2	65.4	4	6	0	1.3164	4.3338	3.33	2.993	86.1413	133.479	3.6179	441.488050098914
Cond-012864	NSC64952	64952	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.919254161825	n1c(Cl)c2cc[nH]c2nc1	InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)	C6H4ClN3	153.569	3	1	41.57	2	0	0	0.1133	1.53459	1.68	0.893	9.4022	40.372	0.9866	103.474962646134
Cond-012865	NSC650438	650438	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0355125716949	c1cc(c(cc1O)/C=C\NC=O)O	InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-	C9H9NO3	179.173	4	3	69.56	1	3	0	-1.6775	0.865680000000001	2.01	0.427	23.4834	50.1863	1.329	165.14900843865
Cond-012866	NSC651084	651084	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5423994876668	O=C1C(=C(C(=O)c2c1nc1n2CCC1OC(=O)COC)C)NC(=O)C	InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h9H,4-6H2,1-3H3,(H,17,20)	C16H17N3O6	347.323	9	1	116.59	3	6	0	-1.3434	0.99067	2.23	-0.356	69.5754	87.2737	2.3878	304.599266534534
Cond-012867	NSC65238	65238	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.92916323239824	c1c(cc2c(c1)C1(CCCC(C1CC2)(C)CN)C)C(C)C.c1(ccccc1)C(=O)O	InChI=1S/C20H31N.C7H6O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;8-7(9)6-4-2-1-3-5-6/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1-5H,(H,8,9)	C27H37NO2	407.588	1	2	26.02	3	2	1	0.402899999999999	4.77900000000001	3.55	8.186	65.1866	90.7064000000001	2.5716	309.594159221502
Cond-012868	NSC65238	65238	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(cc2c(c1)C1(CCCC(C1CC2)(C)CN)C)C(C)C.c1(ccccc1)C(=O)O	InChI=1S/C20H31N.C7H6O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;8-7(9)6-4-2-1-3-5-6/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1-5H,(H,8,9)	C27H37NO2	407.588	1	2	26.02	3	2	1	0.402899999999999	4.77900000000001	3.55	8.186	65.1866	90.7064000000001	2.5716	309.594159221502
Cond-012869	NSC65248	65248	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.41903637037	c1(=N)[nH]c(=S)ss1	InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)	C2H2N2S3	150.246	2	2	118.57	1	0	0	2.517	1.18809	1.13	0.854	37.2202	40.1284	0.8859	103.039644439267
Cond-012870	NSC653004	653004	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.521740342536	c1(cc2c(cc1OC)C(NCC2)C1(O)CCCCC1)OC	InChI=1S/C17H25NO3/c1-20-14-10-12-6-9-18-16(13(12)11-15(14)21-2)17(19)7-4-3-5-8-17/h10-11,16,18-19H,3-9H2,1-2H3	C17H25NO3	291.385	4	2	50.72	3	3	0	-1.4052	2.2447	2.89	2.627	52.9995	81.2505000000001	2.325	284.076885445584
Cond-012871	NSC654260	654260	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.802686043116	Cl.c1ccc(c(c1)C(=O)NC(=O)Nc1cc(c(cc1)Oc1ncc(cn1)Br)C)NC(=O)C(N)C	InChI=1S/C22H21BrN6O4.ClH/c1-12-9-15(7-8-18(12)33-22-25-10-14(23)11-26-22)27-21(32)29-20(31)16-5-3-4-6-17(16)28-19(30)13(2)24;/h3-11,13H,24H2,1-2H3,(H,28,30)(H2,27,29,31,32);1H	C22H22BrClN6O4	549.805	10	5	148.33	3	10	0	-0.865	4.0606	2.67	4.584	51.4895	130.518	3.3752	408.08632698668
Cond-012872	NSC65537	65537	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	24.8821295311542	N(=N\c1cccc(c1)S(=O)(=O)N)/c1cc(c(c2ccccc12)N)OC	InChI=1S/C17H16N4O3S/c1-24-16-10-15(13-7-2-3-8-14(13)17(16)18)21-20-11-5-4-6-12(9-11)25(19,22)23/h2-10H,18H2,1H3,(H2,19,22,23)	C17H16N4O3S	356.399	7	4	128.51	3	4	0	-1.7382	4.40577	2.45	3.742	22.6795	95.4758	2.5299	297.957437922885
Cond-012873	NSC65689	65689	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.259668976204	O(c1c(cc2c(c1)c1c(OC)c(cc3c1C(C2)N(CC3)C)O)O)C	InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3	C19H21NO4	327.374	5	2	62.16	4	2	0	-0.629500000000001	2.94499	3	1.199	45.7828	93.6158	2.4279	296.293246594679
Cond-012874	NSC659107	659107	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	108.872423123331	c1c(cccc1)/C=C(/C)\C=C\1/C(=O)NC(=S)N1	InChI=1S/C13H12N2OS/c1-9(7-10-5-3-2-4-6-10)8-11-12(16)15-13(17)14-11/h2-8H,1H3,(H2,14,15,16,17)/b9-7-,11-8?	C13H12N2OS	244.312	3	2	73.22	2	2	1	1.0831	1.95547	2.45	5.269	47.1219	73.9634	1.8439	228.628901704361
Cond-012875	NSC660151	660151	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.664050115556	c1cc2c(cc1)c(c[nH]2)/C=C(\C#N)/P(=O)(OCC)OCC	InChI=1S/C15H17N2O3P/c1-3-19-21(18,20-4-2)13(10-16)9-12-11-17-15-8-6-5-7-14(12)15/h5-9,11,17H,3-4H2,1-2H3/b13-9+	C15H17N2O3P	304.281	5	1	84.92	2	6	0	-0.0979000000000004	3.12527	2.45	2.418	48.5498	78.443	2.2842	271.219553707617
Cond-012876	NSC66020	66020	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9225575115391	O=C1Nc2c(C(=NC1)c1[nH]ccc1)cc(Cl)cc2	InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)	C13H10ClN3O	259.691	4	2	57.25	3	1	0	-0.6183	2.80968	2.34	1.491	27.5222	75.2987	1.794	213.071246924562
Cond-012877	NSC660300	660300	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.3963506829375	C1CC(=O)N(C(=O)C1)c1c(N)cc(cc1)N(=O)=O	InChI=1S/C11H11N3O4/c12-8-6-7(14(17)18)4-5-9(8)13-10(15)2-1-3-11(13)16/h4-6H,1-3,12H2	C11H11N3O4	249.223	7	2	106.54	2	2	0	-1.0665	1.84048	1.9	0.719	32.5051	69.3934	1.7175	215.531807405678
Cond-012878	NSC661122	661122	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	111.836310326982	c12c3c(c4c(cc(=O)oc4c1[C@H]([C@H](C(O2)C)C)O)CCC)OC(C=C3)(C)C	InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12?,18-/m0/s1	C22H26O5	370.439	5	1	64.99	4	2	0	0.277399999999998	4.68928000000001	3.33	3.505	80.11	106.6468	2.8095	356.874666964674
Cond-012879	NSC66122	66122	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.296445518827	n1nc(ccc1/C=C/c1ccccc1)/C=C/c1ccccc1	InChI=1S/C20H16N2/c1-3-7-17(8-4-1)11-13-19-15-16-20(22-21-19)14-12-18-9-5-2-6-10-18/h1-16H	C20H16N2	284.354	2	0	25.78	3	4	1	0.9356	5.04456	3.44	10.034	20.6372	91.146	2.3274	277.699249823268
Cond-012880	NSC661221	661221	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	18.7747032391551	c1cc2c(cc1C)c1c(n2C)c2c(cc1)C(=O)C=CC2=O	InChI=1S/C18H13NO2/c1-10-3-6-14-13(9-10)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19(14)2/h3-9H,1-2H3	C18H13NO2	275.301	3	0	39.07	4	0	0	0.4843	3.59449	3.11	3.171	34.9572	85.6585	2.0406	242.607432465289
Cond-012881	NSC66241	66241	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.096724714339	N1N=CC(=C(C(=O)C1)C)c1ccccc1	InChI=1S/C12H12N2O/c1-9-11(7-13-14-8-12(9)15)10-5-3-2-4-6-10/h2-7,14H,8H2,1H3	C12H12N2O	200.236	3	1	41.46	2	1	0	-0.2016	1.66938	2.45	4.234	34.1395	62.7187	1.5825	195.460351721695
Cond-012882	NSC664971	664971	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	97.5065296706396	C1CN=C(O1)N1CCN(CC1)C	InChI=1S/C8H15N3O/c1-10-3-5-11(6-4-10)8-9-2-7-12-8/h2-7H2,1H3	C8H15N3O	169.224	4	0	28.07	2	1	0	0.0351000000000003	-0.48231	1.9	0.467	46.731	48.139	1.3337	161.355466930395
Cond-012883	NSC665497	665497	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.115464048475	c12c(cc3OC4=C(C(c3c1)c1ccc(c(c1)OC)OC)C(=O)OC4)OCO2	InChI=1S/C20H16O7/c1-22-12-4-3-10(5-14(12)23-2)18-11-6-15-16(26-9-25-15)7-13(11)27-17-8-24-20(21)19(17)18/h3-7,18H,8-9H2,1-2H3	C20H16O7	368.337	7	0	72.45	5	3	0	-0.7485	3.96737	2.89	2.333	46.8004	99.001	2.4505	311.333775011663
Cond-012884	NSC66695	66695	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.145924318308	O=C1C2NC(=O)NC(=O)C2(Nc2c1cc(cc2)OC)Br	InChI=1S/C12H10BrN3O4/c1-20-5-2-3-7-6(4-5)8(17)9-12(13,16-7)10(18)15-11(19)14-9/h2-4,9,16H,1H3,(H2,14,15,18,19)	C12H10BrN3O4	340.129	7	3	96.53	3	1	0	-0.8791	0.80068	1.9	0.644	45.3881	76.1646	1.9248	239.754952308312
Cond-012885	NSC66837	66837	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.0090520988435	n1c(=O)c(c([nH]c1SC)O)CCOCC	InChI=1S/C9H14N2O3S/c1-3-14-5-4-6-7(12)10-9(15-2)11-8(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)	C9H14N2O3S	230.284	5	2	96.22	1	5	0	0.596	1.08917	1.79	1.417	57.1221	63.6455	1.6783	210.827710106017
Cond-012886	NSC670283	670283	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.493715325682	C1CC(=O)c2c(C1)cc1c(c2)CC2(C1)Cc1c(C2)cc2c(c1)CCCC2=O	InChI=1S/C25H24O2/c26-23-5-1-3-15-7-17-11-25(13-19(17)9-21(15)23)12-18-8-16-4-2-6-24(27)22(16)10-20(18)14-25/h7-10H,1-6,11-14H2	C25H24O2	356.457	2	0	34.14	6	0	1	0.545799999999999	4.57679	3.99	7.151	56.3689	107.6915	2.7529	341.506105937391
Cond-012887	NSC672441	672441	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	90.2003182170187	C(C)(C)N/C(=N/C(C)C)/OC	InChI=1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)	C8H18N2O	158.241	3	1	33.62	0	4	0	0.168800000000001	1.29289	2.01	2.183	46.0438	48.6667	1.4511	175.071624123828
Cond-012888	NSC672865	672865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.9144715109385	o1c(ccc1/C=C(/P(=O)(OCC)OCC)\C#N)c1c(cc(cc1)F)F	InChI=1S/C17H16F2NO4P/c1-3-22-25(21,23-4-2)14(11-20)10-13-6-8-17(24-13)15-7-5-12(18)9-16(15)19/h5-10H,3-4H2,1-2H3/b14-10+	C17H16F2NO4P	367.284	5	0	82.27	2	7	0	1.1278	4.23337	2.45	3.641	48.6139	85.778	2.5173	313.103648451558
Cond-012889	NSC67307	67307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	7.76212504919623	[nH]1c(cc(=S)nc1SCC)C	InChI=1S/C7H10N2S2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)	C7H10N2S2	186.298	2	1	81.78	1	2	0	1.4683	1.75378	1.79	1.579	54.5198	55.6027	1.3839	168.3740848102
Cond-012890	NSC67307	67307	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c(cc(=S)nc1SCC)C	InChI=1S/C7H10N2S2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)	C7H10N2S2	186.298	2	1	81.78	1	2	0	1.4683	1.75378	1.79	1.579	54.5198	55.6027	1.3839	168.3740848102
Cond-012891	NSC6731	6731	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	25.535748908427	c1c(cccc1)C(=O)Oc1ccc(cc1)C(C)(C)C	InChI=1S/C17H18O2/c1-17(2,3)14-9-11-15(12-10-14)19-16(18)13-7-5-4-6-8-13/h4-12H,1-3H3	C17H18O2	254.324	2	0	26.3	2	4	1	1.4651	4.67248	3.11	7.536	25.4185	81.6250000000001	2.1031	255.200522434456
Cond-012892	NSC67436	67436	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.079216177153	N1C(=NCC1)c1ccc(cc1)NC(=O)c1cc(ccc1Cl)C(=O)Nc1ccc(C2=NCCN2)cc1	InChI=1S/C26H23ClN6O2/c27-22-10-5-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)15-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)	C26H23ClN6O2	486.953	8	4	106.98	5	8	0	-1.8805	4.71277	3.33	4.184	56.371	142.5633	3.50860000000001	428.267884779491
Cond-012893	NSC67546	67546	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.3240350317862	N(=C(C)C)C1C(OC(C1O)OC)CO	InChI=1S/C9H17NO4/c1-5(2)10-7-6(4-11)14-9(13-3)8(7)12/h6-9,11-12H,4H2,1-3H3	C9H17NO4	203.236	5	2	71.28	1	3	0	-1.3318	-0.54201	1.9	-1.264	49.506	52.1486	1.5597	195.385069942411
Cond-012894	NSC679449	679449	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.170412233841	C1C2C(CN1)(N=NC2)C#N	InChI=1S/C6H8N4/c7-3-6-4-8-1-5(6)2-9-10-6/h5,8H,1-2,4H2	C6H8N4	136.155	4	1	60.54	2	0	0	-1.1661	0.000190000000000135	1.68	-0.449	28.5542	35.9447	1.007	123.697113784667
Cond-012895	NSC679525	679525	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.765981671924	c12c(=O)c(=O)c3c(c1cc(n2S(=O)(=O)c1ccc(cc1)C)C(=O)OC)c(c[nH]3)C(=O)OCc1ccccc1	InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3	C27H20N2O8S	532.521	10	1	149.98	5	8	1	-1.3108	3.38529	3.22	5.547	53.628	132.7655	3.6006	444.079686362424
Cond-012896	NSC680495	680495	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.636465989157	c1ccc2c(c1)ccc(n2)/N=N/c1ccc(cc1)Br	InChI=1S/C15H10BrN3/c16-12-6-8-13(9-7-12)18-19-15-10-5-11-3-1-2-4-14(11)17-15/h1-10H/b19-18+	C15H10BrN3	312.164	3	0	37.61	3	2	1	0.8888	5.61327	2.67	6.521	8.5991	82.732	1.9837	226.772623281267
Cond-012897	NSC680515	680515	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.845845348172	c1cc(c2c(c1)cco2)/N=N/c1ccc(cc1)N(C)C	InChI=1S/C16H15N3O/c1-19(2)14-8-6-13(7-9-14)17-18-15-5-3-4-12-10-11-20-16(12)15/h3-11H,1-2H3	C16H15N3O	265.31	4	0	41.1	3	3	0	0.0636999999999997	4.70958	2.78	4.916	15.9105	82.789	2.0513	236.211674330928
Cond-012898	NSC680516	680516	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	59.3833772663634	c1cnc2c(c1)cc(cc2)/N=N/c1c(cc(cc1)N(C)C)C	InChI=1S/C18H18N4/c1-13-11-16(22(2)3)7-9-17(13)21-20-15-6-8-18-14(12-15)5-4-10-19-18/h4-12H,1-3H3/b21-20+	C18H18N4	290.362	4	0	40.85	3	3	1	0.8598	4.59431	3	5.41	19.7935	92.2240000000001	2.3312	270.373718389468
Cond-012899	NSC68116	68116	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.240527461169	N12P(=O)(OCCC2CCCC1)N(CCCl)CCCl	InChI=1S/C11H21Cl2N2O2P/c12-5-8-14(9-6-13)18(16)15-7-2-1-3-11(15)4-10-17-18/h11H,1-10H2	C11H21Cl2N2O2P	315.176	4	0	42.59	2	5	0	-0.830300000000001	1.8071	1.9	1.975	67.857	70.7475	2.2077	263.922734950056
Cond-012900	NSC6821	6821	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	44.0717006572766	O(c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1	InChI=1S/C19H15NO2/c21-19(22-18-14-8-3-9-15-18)20(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H	C19H15NO2	289.328	3	0	29.54	3	5	1	-0.084	5.64957	3.22	7.652	8.7928	92.828	2.2471	269.623417091156
Cond-012901	NSC683648	683648	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	14.5486657575302	c1(=O)[nH]c(cc(=O)[nH]1)/N=N\c1ccc(cc1)Cl	InChI=1S/C10H7ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5H,(H2,12,13,16,17)/b15-14-	C10H7ClN4O2	250.641	6	2	82.92	2	2	0	0.3635	2.16227	1.79	2.28	28.784	64.5134	1.6384	204.226738656489
Cond-012902	NSC683648	683648	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	c1(=O)[nH]c(cc(=O)[nH]1)/N=N\c1ccc(cc1)Cl	InChI=1S/C10H7ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5H,(H2,12,13,16,17)/b15-14-	C10H7ClN4O2	250.641	6	2	82.92	2	2	0	0.3635	2.16227	1.79	2.28	28.784	64.5134	1.6384	204.226738656489
Cond-012903	NSC6844	6844	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.1932709107435	O=C1C=C(OC(=O)C1C(=O)c1ccccc1)c1ccccc1	InChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(21)16(14)17(20)13-9-5-2-6-10-13/h1-11,16H	C18H12O4	292.285	4	0	60.44	3	3	0	-0.8491	2.70368	3	4.941	30.1765	81.9615	2.1238	269.811125658245
Cond-012904	NSC68657	68657	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.690182378079	N1(C(c2ccc(=O)[nH]c2)CCC1)C	InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)	C10H14N2O	178.231	3	1	32.34	2	1	0	-1.0218	0.73677	2.23	0.202	48.5532	53.7207	1.4297	179.677758572361
Cond-012905	NSC6866	6866	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.787071269438	Clc1ccc(c(Cl)c1)C(=O)NCCC	InChI=1S/C10H11Cl2NO/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5H2,1H3,(H,13,14)	C10H11Cl2NO	232.106	2	1	29.1	1	4	0	0.6287	3.10159	2.12	2.796	32.1952	62.1077	1.6403	197.923133905061
Cond-012906	NSC68841	68841	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.165087167304	C(=O)(/C=C\C(=O)O)Nc1ccc(cc1)c1ccccc1	InChI=1S/C16H13NO3/c18-15(10-11-16(19)20)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18)(H,19,20)/b11-10-	C16H13NO3	267.279	4	2	66.4	2	5	1	-0.6202	3.74147	2.78	5.147	24.8292	81.3835000000001	2.0347	252.418607315717
Cond-012907	NSC689002	689002	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.958636749746	c1ccc2c(c1)C(=O)c1c(S2(=O)=O)cc(cc1)C(=O)N	InChI=1S/C14H9NO4S/c15-14(17)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)13(10)16/h1-7H,(H2,15,17)	C14H9NO4S	287.291	5	2	102.68	3	1	0	-1.3238	1.64498	2.34	1.333	21.4291	69.0039	1.9095	235.405888822145
Cond-012908	NSC68971	68971	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.952990781861	c1ccccc1OC(=O)Nc1cc(c(cc1)O)C(=O)O	InChI=1S/C14H11NO5/c16-12-7-6-9(8-11(12)13(17)18)15-14(19)20-10-4-2-1-3-5-10/h1-8,16H,(H,15,19)(H,17,18)	C14H11NO5	273.241	6	3	95.86	2	5	0	-0.7841	3.17048	2.34	4.013	18.5767	76.2373	1.9133	238.043550165906
Cond-012909	NSC68982	68982	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	80.0910292373574	Clc1cccc(Cl)c1/C=N/NC(=N)N	InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+	C8H8Cl2N4	231.082	4	4	74.26	1	3	0	0.9849	1.70548	1.68	3.411	29.9819	61.4068	1.5562	184.894759876467
Cond-012910	NSC6910	6910	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.222544149564	c1ccc(cc1C(=O)N(C(C)C)C(C)C)N(=O)=O	InChI=1S/C13H18N2O3/c1-9(2)14(10(3)4)13(16)11-6-5-7-12(8-11)15(17)18/h5-10H,1-4H3	C13H18N2O3	250.294	5	0	63.45	1	5	0	0.129700000000001	2.68119	2.34	3.618	41.7221	74.4330000000001	1.9924	245.329707150284
Cond-012911	NSC69359	69359	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	26.9245497863159	N1(C(c2ccccc2)(c2ccccc2C1=O)O)c1ccncc1	InChI=1S/C19H14N2O2/c22-18-16-8-4-5-9-17(16)19(23,14-6-2-1-3-7-14)21(18)15-10-12-20-13-11-15/h1-13,23H	C19H14N2O2	302.327	4	1	53.43	4	2	1	-1.0751	2.91179	3.11	5.169	12.3067	88.9298	2.2383	268.263718598523
Cond-012912	NSC69421	69421	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.273084673213	c1(ccc(cc1)NC1c2ccccc2CC1O)C#N	InChI=1S/C16H14N2O/c17-10-11-5-7-13(8-6-11)18-16-14-4-2-1-3-12(14)9-15(16)19/h1-8,15-16,18-19H,9H2	C16H14N2O	250.295	3	2	56.05	3	2	0	-0.8844	2.35359	2.89	4.043	23.7244	74.4135	1.9515	236.114914122762
Cond-012913	NSC70307	70307	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.801512555941	n1c(=O)c(c([nH]c1NC(=O)C)C)CCC1OCCO1	InChI=1S/C12H17N3O4/c1-7-9(3-4-10-18-5-6-19-10)11(17)15-12(13-7)14-8(2)16/h10H,3-6H2,1-2H3,(H2,13,14,15,16,17)	C12H17N3O4	267.281	7	2	89.02	2	5	0	-1.4663	0.0931699999999998	2.01	0.699	64.0829	70.8084	1.9444	249.000709433145
Cond-012914	NSC70413	70413	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8659523240447	O1[C@@H]2[C@@]34[C@]([C@H](N(CC4)CC=C)Cc4c3c1c(cc4)O)(CCC2=O)O	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	C19H21NO4	327.374	5	2	70	5	2	0	-0.848400000000002	1.46148	3	0.612	64.5263	90.2436	2.3623	297.473246594679
Cond-012915	NSC70534	70534	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.665420899428	O=N1=Nc2cc(ccc2Cc2c1cc(cc2)N)N	InChI=1S/C13H12N4O/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)17(18)16-12(8)6-10/h1-4,6-7H,5,14-15H2	C13H12N4O	240.261	5	4	93.15	3	0	0	-1.5782	3.01669	2.34	2.368	16.9881	71.9938	1.7714	208.856939362295
Cond-012916	NSC70717	70717	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9178400753899	n12c(n[nH]c2=S)c(ccc1)C	InChI=1S/C7H7N3S/c1-5-3-2-4-10-6(5)8-9-7(10)11/h2-4H,1H3,(H,9,11)	C7H7N3S	165.216	3	1	59.72	2	0	0	1.1671	0.71367	1.79	1.82	48.293	48.1797	1.1686	145.868903559167
Cond-012917	NSC70799	70799	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	9.67195651778106	[C@@H]1(CC[C@@H]2[C@@]1(C[C@]([C@H]1[C@H]2CC[C@H]2[C@@]1(CC/C(=N\O)/C2)C)(C)O)C)/C(=N/O)/C	InChI=1S/C22H36N2O3/c1-13(23-26)17-7-8-18-16-6-5-14-11-15(24-27)9-10-20(14,2)19(16)22(4,25)12-21(17,18)3/h14,16-19,25-27H,5-12H2,1-4H3/b23-13+,24-15+/t14-,16+,17-,18+,19+,20+,21-,22+/m1/s1	C22H36N2O3	376.533	5	3	85.41	4	1	0	0.3583	5.05709000000001	3.33	4.507	103.1369	107.76	3.0637	382.733568783086
Cond-012918	NSC70799	70799	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	[C@@H]1(CC[C@@H]2[C@@]1(C[C@]([C@H]1[C@H]2CC[C@H]2[C@@]1(CC/C(=N\O)/C2)C)(C)O)C)/C(=N/O)/C	InChI=1S/C22H36N2O3/c1-13(23-26)17-7-8-18-16-6-5-14-11-15(24-27)9-10-20(14,2)19(16)22(4,25)12-21(17,18)3/h14,16-19,25-27H,5-12H2,1-4H3/b23-13+,24-15+/t14-,16+,17-,18+,19+,20+,21-,22+/m1/s1	C22H36N2O3	376.533	5	3	85.41	4	1	0	0.3583	5.05709000000001	3.33	4.507	103.1369	107.76	3.0637	382.733568783086
Cond-012919	NSC70895	70895	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.641520400152	Clc1nc(c2nc(n(c2n1)C1OCCCC1)Cl)N(C)C	InChI=1S/C12H15Cl2N5O/c1-18(2)9-8-10(17-11(13)16-9)19(12(14)15-8)7-5-3-4-6-20-7/h7H,3-6H2,1-2H3	C12H15Cl2N5O	316.186	6	0	56.07	3	2	0	-0.0441000000000001	3.82738	1.9	2.084	47.4172	81.121	2.1041	240.889226587861
Cond-012920	NSC70931	70931	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.339030722745	O=C1C=C2[C@@]3(CC[C@]4([C@@H]5C[C@](CC[C@@]5(CC[C@@]4(C3=CC=C2C(=C1O)C)C)C)(C)C(=O)O)C)C	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	C29H38O4	450.61	4	2	74.6	5	1	1	2.48309999999999	6.63635000000001	4.21	7.98	134.3315	130.7276	3.6285	467.699873944381
Cond-012921	NSC70933	70933	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.451021062393	Clc1ccc(C(=C2CCN(CC2)C)c2ncccc2)cc1.C(=C\C(=O)O)\C(=O)O	InChI=1S/C18H19ClN2.C4H4O4/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14;5-3(6)1-2-4(7)8/h2-8,11H,9-10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C22H23ClN2O4	414.882	2	0	16.13	3	2	0	1.4708	4.48498	3.11	3.785	40.4167	88.421	2.34	279.764183145168
Cond-012922	NSC70959	70959	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.908317514333	Clc1nc(cc(n1)C(=O)N)C(=O)N	InChI=1S/C6H5ClN4O2/c7-6-10-2(4(8)12)1-3(11-6)5(9)13/h1H,(H2,8,12)(H2,9,13)	C6H5ClN4O2	200.583	6	4	111.96	1	2	0	-0.97	-0.29862	1.35	-1.221	20.8751	48.1403	1.2694	152.672176255422
Cond-012923	NSC71097	71097	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2ccccc2ccc1/C=C/C(=O)c1c(ccc(Cl)c1)O	InChI=1S/C18H12ClNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H	C18H12ClNO2	309.746	3	1	50.19	3	3	1	0.3813	4.68077	3	5.195	23.7697	91.2248	2.2286	267.538500235723
Cond-012924	NSC71097	71097	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	17.8284179475045	n1c2ccccc2ccc1/C=C/C(=O)c1c(ccc(Cl)c1)O	InChI=1S/C18H12ClNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H	C18H12ClNO2	309.746	3	1	50.19	3	3	1	0.3813	4.68077	3	5.195	23.7697	91.2248	2.2286	267.538500235723
Cond-012925	NSC71669	71669	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(cc(c1)C(F)(F)F)Cc1c(c2cccc(c2)C(F)(F)F)c(N)nc(N)n1	InChI=1S/C19H14F6N4/c20-18(21,22)12-5-1-3-10(7-12)8-14-15(16(26)29-17(27)28-14)11-4-2-6-13(9-11)19(23,24)25/h1-7,9H,8H2,(H4,26,27,28,29)	C19H14F6N4	412.332	4	4	77.82	3	5	1	1.0176	4.98009	2.45	7.147	26.068	96.1998	2.5783	324.075056117173
Cond-012926	NSC71795	71795	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	15.7997400958433	n1ccc2c(c3[nH]c4c(c3c(c2c1)C)cccc4)C	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3	C17H14N2	246.306	2	1	28.68	4	0	0	0.8636	3.90334	3.11	3.938	14.3042	80.125	1.9251	210.464213347267
Cond-012927	NSC71795	71795	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1ccc2c(c3[nH]c4c(c3c(c2c1)C)cccc4)C	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3	C17H14N2	246.306	2	1	28.68	4	0	0	0.8636	3.90334	3.11	3.938	14.3042	80.125	1.9251	210.464213347267
Cond-012928	NSC71866	71866	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	28.3416325555053	n1c(c(c(nc1N)Nc1ccc(Br)cc1)C#N)N	InChI=1S/C11H9BrN6/c12-6-1-3-7(4-2-6)16-10-8(5-13)9(14)17-11(15)18-10/h1-4H,(H5,14,15,16,17,18)	C11H9BrN6	305.133	6	5	113.64	2	2	0	-0.9967	3.49546	1.9	1.378	26.5419	76.8395	1.8711	216.471882803901
Cond-012929	NSC71881	71881	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.345845743359	n1c2ccc(cc2ccc1)NC(=O)Nc1ccc2ncccc2c1	InChI=1S/C19H14N4O/c24-19(22-15-5-7-17-13(11-15)3-1-9-20-17)23-16-6-8-18-14(12-16)4-2-10-21-18/h1-12H,(H2,22,23,24)	C19H14N4O	314.341	5	2	66.91	4	4	0	-0.6277	5.22517	3	4.056	9.9426	99.4674	2.3362	267.930553613496
Cond-012930	NSC7218	7218	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.680944947876	c1cc(cc2c1cc1ccc(cc1n2)NC(=O)C)NC(=O)C	InChI=1S/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)	C17H15N3O2	293.32	5	2	71.09	3	4	0	-1.2498	4.54397	2.78	2.726	25.7318	92.3834	2.2079	259.661426956556
Cond-012931	NSC72292	72292	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5040134658297	[nH]1c2c(nccc2c2c1cc(cc2)O)C	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3	C12H10N2O	198.221	3	2	48.91	3	0	0	-0.4412	3.2035	2.45	1.794	11.5971	64.104	1.4739	161.303893020895
Cond-012932	NSC727038	727038	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	64.0390697394343	C1(=C[C@]2([C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)n1ccnc1)C)C)C)C#N	InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3/t22-,24-,26-,31-,32+,33+,34-/m0/s1	C34H43N3O3	541.724	6	0	92.82	6	2	1	2.1641	6.66147000000001	4.54	6.3	141.1993	152.7295	4.3361	547.214016194452
Cond-012933	NSC72947	72947	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.710535263125	O=C1OCc2c1c(c(c(c2NC=O)OC)OC)N(=O)=O	InChI=1S/C11H10N2O7/c1-18-9-7(12-4-14)5-3-20-11(15)6(5)8(13(16)17)10(9)19-2/h4H,3H2,1-2H3,(H,12,14)	C11H10N2O7	282.206	9	1	117	2	5	0	-0.2267	1.75968	1.68	-0.158	38.3194	71.9372	1.7938	230.905727299195
Cond-012934	NSC73053	73053	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.761868781123	o1cccc1/C=C/C1=NCCc2c1cc(c(c2)OC)OC.S(=O)(=O)(O)O	InChI=1S/C17H17NO3.H2O4S/c1-19-16-10-12-7-8-18-15(14(12)11-17(16)20-2)6-5-13-4-3-9-21-13;1-5(2,3)4/h3-6,9-11H,7-8H2,1-2H3;(H2,1,2,3,4)	C17H19NO7S	381.4	4	0	43.96	3	4	0	0.0408000000000009	3.07038	2.89	2.78	42.0745	82.149	2.153	262.631050642384
Cond-012935	NSC73054	73054	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.643691801664	c1(nnc(nn1)c1ccccc1)c1ccccc1	InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H	C14H10N4	234.256	4	0	51.56	3	2	1	0	3.50778	2.56	6.036	0	72.344	1.7676	201.189779886001
Cond-012936	NSC73170	73170	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8807484469981	Clc1cc(ccc1)NC(=O)OC(C)C(=O)O	InChI=1S/C10H10ClNO4/c1-6(9(13)14)16-10(15)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,15)(H,13,14)	C10H10ClNO4	243.644	5	2	75.63	1	5	0	0.3147	2.55968	1.9	2.217	30.8492	61.7505	1.651	206.446287535511
Cond-012937	NSC73254	73254	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.499046348491	c1(c(c(=O)n([nH]1)C1CCN(CC1)C)Cc1ccccc1)c1ccccc1	InChI=1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3	C22H25N3O	347.453	4	1	35.58	4	4	1	-1.2613	3.13258	3.44	7.073	51.0089	106.1897	2.7881	338.53112338533
Cond-012938	NSC73295	73295	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.165130256692	O=c1n(c(=O)c2c([nH]1)n(nc2C(=O)OCC)C)C	InChI=1S/C10H12N4O4/c1-4-18-9(16)6-5-7(14(3)12-6)11-10(17)13(2)8(5)15/h4H2,1-3H3,(H,11,17)	C10H12N4O4	252.227	8	1	93.53	2	3	0	-0.2718	0.58788	1.68	-0.719	45.4577	64.3392	1.7194	211.869041688778
Cond-012939	NSC73482	73482	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	64.1013495734373	c1ccc2c(c1)c1ccccc1nc2	InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H	C13H9N	179.217	1	0	12.89	3	0	0	0	3.79319	2.78	4.693	0	60.29	1.4133	156.176432037234
Cond-012940	NSC73735	73735	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.519903133726	c1c(ccc(c1OC)Nc1ccccc1C(=O)O)c1cc(c(cc1)Nc1ccccc1C(=O)O)OC	InChI=1S/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)	C28H24N2O6	484.5	8	4	117.12	4	9	1	-1.424	7.47137	3.66	7.01	35.6702	142.7415	3.56920000000001	437.642652230369
Cond-012941	NSC73753	73753	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	48.8400294517073	Clc1ccc(c(c1)Cl)Oc1c(nc(nc1)S)O	InChI=1S/C10H6Cl2N2O2S/c11-5-1-2-7(6(12)3-5)16-8-4-13-10(17)14-9(8)15/h1-4H,(H2,13,14,15,17)	C10H6Cl2N2O2S	289.138	4	1	94.04	2	2	0	1.3852	4.84657	1.79	2.509	24.1065	73.006	1.7677	207.689768768989
Cond-012942	NSC7419	7419	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.992764244022	ClC1=C(Cl)/C(=C(/Cl)\C(=O)NCCN(CC)CC)/C(=C1Cl)Cl	InChI=1S/C13H15Cl5N2O/c1-3-20(4-2)6-5-19-13(21)10(16)7-8(14)11(17)12(18)9(7)15/h3-6H2,1-2H3,(H,19,21)	C13H15Cl5N2O	392.536	3	1	32.34	1	7	0	3.1583	4.34176	2.01	3.723	93.0616	93.5737	2.53	317.341051302128
Cond-012943	NSC7420	7420	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	7.36030422880002	Brc1cc(C2CCCCC2)c(c(c1)C(=O)N)O	InChI=1S/C13H16BrNO2/c14-9-6-10(8-4-2-1-3-5-8)12(16)11(7-9)13(15)17/h6-8,16H,1-5H2,(H2,15,17)	C13H16BrNO2	298.176	3	3	63.32	2	2	0	-0.865200000000001	3.26969	2.45	4.19	39.0464	73.1722	1.9433	235.106339219123
Cond-012944	NSC7420	7420	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Brc1cc(C2CCCCC2)c(c(c1)C(=O)N)O	InChI=1S/C13H16BrNO2/c14-9-6-10(8-4-2-1-3-5-8)12(16)11(7-9)13(15)17/h6-8,16H,1-5H2,(H2,15,17)	C13H16BrNO2	298.176	3	3	63.32	2	2	0	-0.865200000000001	3.26969	2.45	4.19	39.0464	73.1722	1.9433	235.106339219123
Cond-012945	NSC7436	7436	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.96837958884104	c1cc(ccc1NS(=O)(=O)c1ccc(cc1)N)C(C)(C)C	InChI=1S/C16H20N2O2S/c1-16(2,3)12-4-8-14(9-5-12)18-21(19,20)15-10-6-13(17)7-11-15/h4-11,18H,17H2,1-3H3	C16H20N2O2S	304.407	4	3	80.57	2	4	0	-0.1302	4.48108	2.67	4.789	34.4905	82.7441	2.3683	281.043540983323
Cond-012946	NSC75071	75071	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.300111654887	c1c(nnc(c1)Cl)O	InChI=1S/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)	C4H3ClN2O	130.532	3	1	46.01	1	0	0	0.0733999999999999	1.20619	1.46	0.952	8.6668	31.126	0.8153	92.5693772883946
Cond-012947	NSC7524	7524	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.842572951672	O1[C@]23C[C@]4([C@H]5[C@@]([C@@]([C@H]6N(C[C@H](CC6)C)C5)(O)C)([C@H](C[C@]4([C@@H]2CC[C@H]2[C@@]3(CC[C@@H]([C@@]12O)OC(=O)c1cc(c(cc1)OC)OC)C)O)O)O)O	InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1	C36H51NO11	673.79	12	6	178.61	8	5	1	-4.13189999999999	1.32439000000001	4.1	2.391	138.4217	172.0548	4.88570000000001	618.603654736738
Cond-012948	NSC75241	75241	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.567245957654	Brc1c(=O)n(c(=O)[nH]c1C)C(C)C	InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)	C8H11BrN2O2	247.089	4	1	49.41	1	1	0	0.214199999999999	1.09718	1.79	1.139	52.9924	54.7247	1.4902	185.516093699556
Cond-012949	NSC75585	75585	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.987618253166	[nH]1c(ccc1)C(=O)c1ccccc1	InChI=1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H	C11H9NO	171.195	2	1	32.86	2	2	0	-0.6842	1.73219	2.45	3.458	8.646	54.121	1.3418	156.267606887661
Cond-012950	NSC7572	7572	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.9785656665278	c1cc(ccc1Nc1ccc(cc1S(=O)(=O)O)N)C	InChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)15-12-7-4-10(14)8-13(12)19(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)	C13H14N2O3S	278.327	5	4	100.8	2	3	0	-1.0698	3.4011	2.23	3.498	23.9436	69.9729	2.0043	237.945813806284
Cond-012951	NSC7578	7578	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	104.66403594749	O=C1c2c(c(ccc2C(=O)c2c1cccc2)C(=O)O)Nc1ccccc1	InChI=1S/C21H13NO4/c23-19-13-8-4-5-9-14(13)20(24)17-15(19)10-11-16(21(25)26)18(17)22-12-6-2-1-3-7-12/h1-11,22H,(H,25,26)	C21H13NO4	343.332	5	2	83.47	4	3	1	-1.1878	4.47228	3.22	5.221	21.2113	99.6975	2.4517	304.166463641613
Cond-012952	NSC75786	75786	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.136709398325	c1(ccnn1c1ccccc1)N	InChI=1S/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2	C9H9N3	159.188	3	2	43.32	2	1	0	-0.7367	1.88389	2.12	2.21	7.1201	49.4594	1.2439	137.5153900525
Cond-012953	NSC75846	75846	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.607261010752	N1CCC(CC1)(NC)C(=O)N	InChI=1S/C7H15N3O/c1-9-7(6(8)11)2-4-10-5-3-7/h9-10H,2-5H2,1H3,(H2,8,11)	C7H15N3O	157.214	4	4	67.15	1	2	0	-2.211	-0.95281	1.79	-1.612	37.2888	46.3318	1.3014	156.415941005328
Cond-012954	NSC75885	75885	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0008734663335	[nH]1c(cc(=O)[nH]/c/1=N/N=C\1/CCCCC1C)C	InChI=1S/C12H18N4O/c1-8-5-3-4-6-10(8)15-16-12-13-9(2)7-11(17)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)/b15-10-	C12H18N4O	234.298	5	2	65.85	2	1	0	-0.335599999999997	1.58947	2.23	2.515	62.2263	71.3254	1.8681	233.626789539628
Cond-012955	NSC76015	76015	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.058597462271	Brc1nc(c(Br)c(c1Br)C)C	InChI=1S/C7H6Br3N/c1-3-5(8)4(2)11-7(10)6(3)9/h1-2H3	C7H6Br3N	343.841	1	0	12.89	1	0	0	3.6043	3.88504	1.79	3.696	37.3516	55.924	1.4821	167.310133419534
Cond-012956	NSC7606	7606	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	98.8526408223407	C1(=O)NC(C(=O)N1)NC(=O)N	InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)	C4H6N4O3	158.115	7	5	113.32	1	2	0	-1.2413	-2.58181	1.13	-1.169	28.0225	36.0355	1.0099	127.832283335417
Cond-012957	NSC76350	76350	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.809544579991	O=C1N(C(=O)c2c1cccc2)C(C(=O)O)Cc1ccccc1N(CCO)CCO	InChI=1S/C21H22N2O6/c24-11-9-22(10-12-25)17-8-4-1-5-14(17)13-18(21(28)29)23-19(26)15-6-2-3-7-16(15)20(23)27/h1-8,18,24-25H,9-13H2,(H,28,29)	C21H22N2O6	398.409	8	3	118.38	3	9	0	-1.9538	1.00339	2.89	2.084	54.6665	108.1394	2.9065	363.909512054102
Cond-012958	NSC76478	76478	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	105.185367357506	n1c(nc2n(c(nn2)C)c1c1ccccc1)c1ccccc1	InChI=1S/C17H13N5/c1-12-20-21-17-19-15(13-8-4-2-5-9-13)18-16(22(12)17)14-10-6-3-7-11-14/h2-11H,1H3	C17H13N5	287.319	5	0	55.97	4	2	1	0.0645000000000001	4.65359	2.78	6.728	8.7967	89.287	2.1385	238.181576570167
Cond-012959	NSC76549	76549	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.114521980836	Clc1c(cc(c(c1)N)C)NC(=O)c1ccccc1	InChI=1S/C14H13ClN2O/c1-9-7-13(11(15)8-12(9)16)17-14(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)	C14H13ClN2O	260.719	3	3	55.12	2	3	0	0.00160000000000005	4.934	2.56	3.966	22.7813	77.8461	1.9437	231.726930043062
Cond-012960	NSC76747	76747	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.831914778623	[nH]1c2ccccc2c(c1C)/C=C\1/c2c(N=C1C)cccc2	InChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11-	C19H16N2	272.344	2	1	28.15	4	1	1	0.1956	4.4266	3.33	5.469	30.1585	89.721	2.1639	253.319723898201
Cond-012961	NSC76988	76988	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.552286241097	O=c1c2c(oc(c3ccc(cc3)O)c1)c(c(c(c2O)O)O)O	InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H	C15H10O7	302.236	7	5	127.45	3	1	0	-2.8051	2.11727	2.34	0.928	29.3593	78.164	1.9632	249.566769283928
Cond-012962	NSC77422	77422	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.803632383812	O=c1nc([nH]c(c1)COCC)SC	InChI=1S/C8H12N2O2S/c1-3-12-5-6-4-7(11)10-8(9-6)13-2/h4H,3,5H2,1-2H3,(H,9,10,11)	C8H12N2O2S	200.258	4	1	75.99	1	4	0	0.0895000000000001	0.81337	1.79	1.228	52.8244	57.4567	1.4787	184.741498779589
Cond-012963	NSC7745	7745	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.16162601419	o1c(c(c(=O)c(c1C)C(=O)OCC)C(=O)OCC)C	InChI=1S/C13H16O6/c1-5-17-12(15)9-7(3)19-8(4)10(11(9)14)13(16)18-6-2/h5-6H2,1-4H3	C13H16O6	268.263	6	0	78.9	1	6	0	0.6351	1.34617	2.23	1.349	67.8469	67.461	1.9689	260.606866835634
Cond-012964	NSC77596	77596	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0243039874925	n1c(Cl)c(c(nc1N)C)CCC1OCCO1	InChI=1S/C10H14ClN3O2/c1-6-7(9(11)14-10(12)13-6)2-3-8-15-4-5-16-8/h8H,2-5H2,1H3,(H2,12,13,14)	C10H14ClN3O2	243.69	5	2	70.26	2	3	0	-0.155099999999999	1.50562	1.9	0.901	39.6739	60.4144	1.7106	203.775813251522
Cond-012965	NSC77913	77913	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7047396540643	c1cn2cc(nc2cc1)c1ccccc1	InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H	C13H10N2	194.232	2	0	17.3	3	1	0	0.0132	3.86008	2.67	4.547	2.898	63.594	1.5131	167.1731922454
Cond-012966	NSC78130	78130	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	92.2422404077191	n1c(c(/N=N/c2ccc(cc2)OC)ccc1N)N	InChI=1S/C12H13N5O/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)	C12H13N5O	243.265	6	4	98.88	2	3	0	-1.5516	2.46538	2.12	2.778	15.76	71.8618	1.8389	214.914173645395
Cond-012967	NSC78609	78609	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.5869348331566	n1scc(n1)NC(=O)OCC	InChI=1S/C5H7N3O2S/c1-2-10-5(9)6-4-3-11-8-7-4/h3H,2H2,1H3,(H,6,9)	C5H7N3O2S	173.193	5	1	92.35	1	4	0	0.8593	1.30458	1.35	1.062	26.5768	43.6507	1.1558	132.950305110156
Cond-012968	NSC78623	78623	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.336783488146	O=C1N(C(=O)c2c1ccc(c2)O)C(C(=O)O)CCC(=O)N	InChI=1S/C13H12N2O6/c14-10(17)4-3-9(13(20)21)15-11(18)7-2-1-6(16)5-8(7)12(15)19/h1-2,5,9,16H,3-4H2,(H2,14,17)(H,20,21)	C13H12N2O6	292.244	8	4	138	2	5	0	-2.5035	-0.0592099999999999	2.01	-1.156	40.392	71.702	1.9739	254.071011149567
Cond-012969	NSC7867	7867	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.208693646996	Clc1nc(c2c(n1)n(nc2)C)Nc1c(Cl)cccc1	InChI=1S/C12H9Cl2N5/c1-19-11-7(6-15-19)10(17-12(14)18-11)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,17,18)	C12H9Cl2N5	294.139	5	1	55.63	3	2	0	0.739	4.82417	2.01	2.591	23.5024	78.3737	1.9164	213.2896237849
Cond-012970	NSC78697	78697	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.700568468847	[nH]1c2nc3ccc(cc3c2nc2c1cccc2)N(=O)=O	InChI=1S/C14H8N4O2/c19-18(20)8-5-6-10-9(7-8)13-14(16-10)17-12-4-2-1-3-11(12)15-13/h1-7H,(H,16,17)	C14H8N4O2	264.239	6	1	79.89	4	1	0	0.0779000000000003	4.00106	2.34	3.784	19.1917	81.3087	1.7764	217.313774586323
Cond-012971	NSC78846	78846	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.865388657188	C1(CCCC1)(NC(=O)c1ccccc1C(=O)NCCC)C(=O)NCCC	InChI=1S/C20H29N3O3/c1-3-13-21-17(24)15-9-5-6-10-16(15)18(25)23-20(11-7-8-12-20)19(26)22-14-4-2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)	C20H29N3O3	359.463	6	3	87.3	2	11	1	-2.7043	2.36359	3	3.018	66.3993	104.0536	2.9269	362.405442337919
Cond-012972	NSC78999	78999	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5891066054367	c1([nH]c(nn1)C)SCC(=O)O	InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)	C5H7N3O2S	173.193	5	2	104.17	1	3	0	-0.2201	-0.3456	1.35	0.326	28.7735	39.0168	1.1558	132.950305110156
Cond-012973	NSC79010	79010	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.427629956572	n12c(nnc2C)cc(cc1C)C	InChI=1S/C9H11N3/c1-6-4-7(2)12-8(3)10-11-9(12)5-6/h4-5H,1-3H3	C9H11N3	161.204	3	0	30.19	2	0	0	1.146	2.13835	2.12	2.916	20.0313	47.562	1.2869	140.1518487533
Cond-012974	NSC79139	79139	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.574307687449	c1(ccc(cc1)/C=C/c1ccc2c(c1)cccn2)N	InChI=1S/C17H14N2/c18-16-8-5-13(6-9-16)3-4-14-7-10-17-15(12-14)2-1-11-19-17/h1-12H,18H2	C17H14N2	246.306	2	2	38.91	3	2	1	-0.2821	4.10098	3.11	5.527	14.5407	80.7124	1.9907	231.084213347267
Cond-012975	NSC79253	79253	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.876659130743	c1cc(ccc1OC(=O)Nc1ccc(cc1)O)N	InChI=1S/C13H12N2O3/c14-9-1-7-12(8-2-9)18-13(17)15-10-3-5-11(16)6-4-10/h1-8,16H,14H2,(H,15,17)	C13H12N2O3	244.246	5	4	84.58	2	4	0	-1.2942	3.28417	2.34	2.552	15.5795	73.7659	1.7978	216.800331047884
Cond-012976	NSC79486	79486	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	16.1815399776876	[nH]1c2c(cc(c(c2c2c1cccc2)C)CNCC(OCC)OCC)C	InChI=1S/C21H28N2O2/c1-5-24-19(25-6-2)13-22-12-16-11-14(3)21-20(15(16)4)17-9-7-8-10-18(17)23-21/h7-11,19,22-23H,5-6,12-13H2,1-4H3	C21H28N2O2	340.459	4	2	46.28	3	8	0	0.995800000000001	3.50434	3.33	4.245	53.4253	102.8147	2.8007	325.757981354258
Cond-012977	NSC79486	79486	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	[nH]1c2c(cc(c(c2c2c1cccc2)C)CNCC(OCC)OCC)C	InChI=1S/C21H28N2O2/c1-5-24-19(25-6-2)13-22-12-16-11-14(3)21-20(15(16)4)17-9-7-8-10-18(17)23-21/h7-11,19,22-23H,5-6,12-13H2,1-4H3	C21H28N2O2	340.459	4	2	46.28	3	8	0	0.995800000000001	3.50434	3.33	4.245	53.4253	102.8147	2.8007	325.757981354258
Cond-012978	NSC7950	7950	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.708371337431	c1c(cccc1)c1cc(c(cc1)O)N	InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2	C12H11NO	185.222	2	3	46.25	2	1	0	-1.2102	3.06039	2.56	4.462	6.7867	61.2584	1.4827	173.563591513528
Cond-012979	NSC79538	79538	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.152959653878	n1nn(c(c1CO)CO)c1ccccc1	InChI=1S/C10H11N3O2/c14-6-9-10(7-15)13(12-11-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2	C10H11N3O2	205.213	5	2	70.65	2	3	0	-0.8842	0.46219	2.01	1.004	17.4516	54.4826	1.5022	172.391828079489
Cond-012980	NSC79559	79559	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	11.4419761554022	O=c1c(ccc(/N=N/c2ccc(cc2)C)cc1)OC(=O)C(=C)C	InChI=1S/C18H16N2O3/c1-12(2)18(22)23-17-11-9-15(8-10-16(17)21)20-19-14-6-4-13(3)5-7-14/h4-11H,1H2,2-3H3	C18H16N2O3	308.331	5	0	68.09	2	5	0	1.8441	3.66066	2.89	4.759	61.1051	88.795	2.3733	306.270878074818
Cond-012981	NSC79559	79559	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O=c1c(ccc(/N=N/c2ccc(cc2)C)cc1)OC(=O)C(=C)C	InChI=1S/C18H16N2O3/c1-12(2)18(22)23-17-11-9-15(8-10-16(17)21)20-19-14-6-4-13(3)5-7-14/h4-11H,1H2,2-3H3	C18H16N2O3	308.331	5	0	68.09	2	5	0	1.8441	3.66066	2.89	4.759	61.1051	88.795	2.3733	306.270878074818
Cond-012982	NSC79582	79582	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	90.3753441482143	c1cc2c(cc1)c1ccccc1nn2=O	InChI=1S/C12H8N2O/c15-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-14/h1-8H	C12H8N2O	196.205	3	0	38.35	3	0	0	-0.5346	3.62688	2.45	3.555	3.9429	62.493	1.4309	158.667434320095
Cond-012983	NSC7962	7962	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.51772481090527	O(c1ccc(cc1)C(CC)(C)C)c1cccc(c1)C(=O)O	InChI=1S/C18H20O3/c1-4-18(2,3)14-8-10-15(11-9-14)21-16-7-5-6-13(12-16)17(19)20/h5-12H,4H2,1-3H3,(H,19,20)	C18H20O3	284.35	3	1	46.53	2	5	1	0.827200000000001	5.33388	3.11	6.707	32.8136	88.3168000000001	2.3027	281.286733760884
Cond-012984	NSC7962	7962	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O(c1ccc(cc1)C(CC)(C)C)c1cccc(c1)C(=O)O	InChI=1S/C18H20O3/c1-4-18(2,3)14-8-10-15(11-9-14)21-16-7-5-6-13(12-16)17(19)20/h5-12H,4H2,1-3H3,(H,19,20)	C18H20O3	284.35	3	1	46.53	2	5	1	0.827200000000001	5.33388	3.11	6.707	32.8136	88.3168000000001	2.3027	281.286733760884
Cond-012985	NSC79887	79887	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	79.2147909272573	c1cccc(c1NC=C(C(=O)OCC)C(=O)OCC)Cl	InChI=1S/C14H16ClNO4/c1-3-19-13(17)10(14(18)20-4-2)9-16-12-8-6-5-7-11(12)15/h5-9,16H,3-4H2,1-2H3	C14H16ClNO4	297.734	5	1	64.63	1	8	0	0.5983	3.52217	2.34	4.814	49.8202	79.6397	2.1716	272.993767338178
Cond-012986	NSC80137	80137	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.460917378757	[nH]1c2c(CCN3[C@@H]2C[C@H]2[C@@H](C3)C[C@H]([C@@H]([C@H]2CO)OC)O)c2ccc(cc12)OC	InChI=1S/C22H30N2O4/c1-27-13-3-4-14-15-5-6-24-10-12-7-20(26)22(28-2)17(11-25)16(12)9-19(24)21(15)23-18(14)8-13/h3-4,8,12,16-17,19-20,22-23,25-26H,5-7,9-11H2,1-2H3/t12-,16+,17+,19-,20-,22-/m1/s1	C22H30N2O4	386.485	6	3	77.95	5	3	0	-1.6993	1.68209	3.22	1.054	72.0529	107.1576	2.9278	352.094419381247
Cond-012987	NSC80141	80141	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	102.868468971889	Clc1cc2Cc3cc(ccc3c2cc1Cl)N	InChI=1S/C13H9Cl2N/c14-12-5-8-3-7-4-9(16)1-2-10(7)11(8)6-13(12)15/h1-2,4-6H,3,16H2	C13H9Cl2N	250.123	1	2	26.02	3	0	0	1.1949	5.11589	2.56	3.87	20.0543	69.3954	1.7011	200.1350262789
Cond-012988	NSC80313	80313	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.734204825853	O=C1c2c(n3nnc4ccccc34)cccc2C(=O)c2c1cccc2	InChI=1S/C20H11N3O2/c24-19-12-6-1-2-7-13(12)20(25)18-14(19)8-5-11-17(18)23-16-10-4-3-9-15(16)21-22-23/h1-11H	C20H11N3O2	325.32	5	0	64.33	5	1	0	-0.5144	3.94416	3.11	4.721	13.59	97.4515	2.2844	268.027087330157
Cond-012989	NSC80731	80731	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	106.189853274136	Clc1c(cccc1)NC(=O)Nc1ccc(Oc2ccc(cc2)NC(=O)Nc2ccccc2Cl)cc1	InChI=1S/C26H20Cl2N4O3/c27-21-5-1-3-7-23(21)31-25(33)29-17-9-13-19(14-10-17)35-20-15-11-18(12-16-20)30-26(34)32-24-8-4-2-6-22(24)28/h1-16H,(H2,29,31,33)(H2,30,32,34)	C26H20Cl2N4O3	507.368	7	4	91.49	4	10	1	0.0790999999999999	9.97275	3.33	7.312	32.7355	146.7888	3.55570000000001	429.095658834152
Cond-012990	NSC80735	80735	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.178154099168	O(c1ccc(cc1)NC(=O)Nc1ccc(cc1)N(=O)=O)c1ccc(cc1)NC(=O)Nc1ccc(cc1)N(=O)=O	InChI=1S/C26H20N6O7/c33-25(27-17-1-9-21(10-2-17)31(35)36)29-19-5-13-23(14-6-19)39-24-15-7-20(8-16-24)30-26(34)28-18-3-11-22(12-4-18)32(37)38/h1-16H,(H2,27,29,33)(H2,28,30,34)	C26H20N6O7	528.473	13	4	177.77	4	12	2	-0.0892999999999997	8.20035	2.89	6.894	29.2843	153.8248	3.65930000000001	450.555033110263
Cond-012991	NSC80807	80807	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.049444486438	s1c(ncc1)NC(=O)/C=C/C(=O)O	InChI=1S/C7H6N2O3S/c10-5(1-2-6(11)12)9-7-8-3-4-13-7/h1-4H,(H,11,12)(H,8,9,10)/b2-1+	C7H6N2O3S	198.199	5	2	107.53	1	4	0	-0.0296000000000001	1.48257	1.57	0.133	32.6227	50.7355	1.3105	160.062823452684
Cond-012992	NSC8090	8090	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.1323831095418	c1ccc(cc1)C(=O)Nc1c2ccccc2ccc1	InChI=1S/C17H13NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H,18,19)	C17H13NO	247.291	2	1	29.1	3	3	1	-0.6348	4.66058	3.11	6.664	7.4415	81.6077	1.9496	228.877679839662
Cond-012993	NSC80997	80997	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	107.977498785721	n1n(c2c(C[C@@]3([C@H]4[C@H](C[C@@]5([C@]([C@@H](C[C@H]5[C@@H]4C=C(C3=C2)C)C)(C(=O)C)O)C)O)C)c1)c1ccccc1	InChI=1S/C30H36N2O3/c1-17-11-22-24-12-18(2)30(35,19(3)33)29(24,5)15-26(34)27(22)28(4)14-20-16-31-32(25(20)13-23(17)28)21-9-7-6-8-10-21/h6-11,13,16,18,22,24,26-27,34-35H,12,14-15H2,1-5H3/t18-,22+,24+,26+,27-,28+,29+,30+/m1/s1	C30H36N2O3	472.618	5	2	74.83	6	2	0	0.845699999999996	5.16416000000001	4.21	4.715	98.0286	139.1156	3.7157	458.76977618362
Cond-012994	NSC81018	81018	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.257844310908	S=c1[nH]c(=O)c(c([nH]1)C)CCC1OCCO1	InChI=1S/C10H14N2O3S/c1-6-7(9(13)12-10(16)11-6)2-3-8-14-4-5-15-8/h8H,2-5H2,1H3,(H2,11,12,13,16)	C10H14N2O3S	242.295	5	2	91.68	2	3	0	0.0343999999999994	0.57788	1.9	0.206	60.6508	64.4754	1.7106	215.767236031084
Cond-012995	NSC81120	81120	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.647560138122	N1c2ccccc2Sc2c1cc1ccccc1c2	InChI=1S/C16H11NS/c1-2-6-12-10-16-14(9-11(12)5-1)17-13-7-3-4-8-15(13)18-16/h1-10,17H	C16H11NS	249.33	1	1	37.33	4	0	1	0.1702	5.64809	3	5.787	11.0935	78.0387	1.8479	211.580492570834
Cond-012996	NSC81213	81213	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.0324883831744	Clc1ccc(c(c1)N(=O)=O)S(=O)(=O)N	InChI=1S/C6H5ClN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)	C6H5ClN2O4S	236.633	6	2	111.68	1	2	0	0.4679	1.26849	1.24	0.863	20.6472	47.0494	1.3937	169.404591998611
Cond-012997	NSC81462	81462	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.881441250119	N12C3CCNC1CCNC2CCN3	InChI=1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2	C9H18N4	182.266	4	3	39.33	3	0	0	-1.6806	-0.7534	2.01	-0.129	45.2019	51.0621	1.4501	171.137985063867
Cond-012998	NSC81463	81463	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.5406052925	[nH]1c2c(CCN3[C@@H]2C[C@H]2[C@@H](C3)C[C@H]([C@@H]([C@H]2C(=O)O)OC)O)c2ccc(cc12)OC	InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1	C22H28N2O5	400.468	7	3	95.02	5	3	0	-1.329	2.00828	3.11	0.941	72.8142	110.9506	2.9435	358.248187381008
Cond-012999	NSC81493	81493	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.8851052532216	O=c1[nH]c(=O)c2n(c(nc2n1C)SCc1ncccc1)C	InChI=1S/C13H13N5O2S/c1-17-9-10(18(2)12(20)16-11(9)19)15-13(17)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,16,19,20)	C13H13N5O2S	303.34	7	1	105.42	3	3	0	0.0687999999999994	2.83326	2.01	1.219	41.6812	84.3497	2.0934	247.152950328623
Cond-013000	NSC81660	81660	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.0670757135556	S1C(N(C(C1(C)C)C(=O)O)C=O)(C)C	InChI=1S/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)	C9H15NO3S	217.285	4	1	82.91	1	2	0	0.206699999999999	1.39339	1.9	1.073	54.9955	58.3188	1.6215	202.46740859865
Cond-013001	NSC81703	81703	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	61.1274055191361	[nH]1c2c(c(ccc2c2c1cccc2)CCN)C	InChI=1S/C15H16N2/c1-10-11(8-9-16)6-7-13-12-4-2-3-5-14(12)17-15(10)13/h2-7,17H,8-9,16H2,1H3	C15H16N2	224.301	2	3	41.81	3	2	0	-0.2611	2.82832	2.89	3.461	22.1882	73.9424	1.8379	204.401620197934
Cond-013002	NSC81750	81750	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.268095351911	O=c1n(c(=O)c2[nH]c(nc2n1C)CNc1ccc(cc1)C(=O)O)C	InChI=1S/C15H15N5O4/c1-19-12-11(13(21)20(2)15(19)24)17-10(18-12)7-16-9-5-3-8(4-6-9)14(22)23/h3-6,16H,7H2,1-2H3,(H,17,18)(H,22,23)	C15H15N5O4	329.311	9	3	118.63	3	4	0	-1.6156	0.968689999999999	2.12	0.857	44.809	89.213	2.2861	278.179890223079
Cond-013003	NSC8179	8179	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.6839832446362	n1[nH]c(nc1NC(=O)N)c1ccccc1	InChI=1S/C9H9N5O/c10-8(15)12-9-11-7(13-14-9)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)	C9H9N5O	203.201	6	4	96.69	2	3	0	-1.0481	1.13207	1.79	2.035	13.2426	60.4791	1.4592	165.662678468595
Cond-013004	NSC81856	81856	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.7062440603662	Clc1cc(ccc1Cl)NC(=O)Nc1ncc(cc1)N(=O)=O	InChI=1S/C12H8Cl2N4O3/c13-9-3-1-7(5-10(9)14)16-12(19)17-11-4-2-8(6-15-11)18(20)21/h1-6H,(H2,15,16,17,19)	C12H8Cl2N4O3	327.123	7	2	97.16	2	5	0	1.521	4.59777	1.79	3.197	25.0638	85.2084	2.0583	249.283543678417
Cond-013005	NSC81915	81915	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	83.8900292541286	n1c(nc(c(c1)N)N)Nc1ccc(Br)cc1.S(=O)(=O)(O)O	InChI=1S/C10H10BrN5.H2O4S/c11-6-1-3-7(4-2-6)15-10-14-5-8(12)9(13)16-10;1-5(2,3)4/h1-5H,12H2,(H3,13,14,15,16);(H2,1,2,3,4)	C10H12BrN5O4S	378.202	5	5	89.85	2	2	0	-1.0314	3.15238	1.9	1.53	20.3433	69.5655	1.7164	193.452055371467
Cond-013006	NSC82269	82269	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.649886055963	n1cc2[nH]c(nc2nc1SC)C(c1ccccc1)O	InChI=1S/C13H12N4OS/c1-19-13-14-7-9-11(17-13)16-12(15-9)10(18)8-5-3-2-4-6-8/h2-7,10,18H,1H3,(H,14,15,16,17)	C13H12N4OS	272.326	5	2	99.99	3	3	0	-0.2382	2.58708	2.23	2.998	22.7527	76.0848	1.9349	216.465963419895
Cond-013007	NSC82339	82339	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.0596582178634	C1(N2CCCN1CC2)c1ccncc1	InChI=1S/C11H15N3/c1-6-13-8-9-14(7-1)11(13)10-2-4-12-5-3-10/h2-5,11H,1,6-9H2	C11H15N3	189.257	3	0	19.37	3	1	0	-0.082999999999999	0.7604	2.34	0.907	30.7339	53.963	1.5031	175.923818005034
Cond-013008	NSC82560	82560	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.0712427329016	n1c(=O)c(/N=N/c2ccc(cc2)S(=O)(=O)N)c([nH]c1N)N	InChI=1S/C10H11N7O3S/c11-8-7(9(18)15-10(12)14-8)17-16-5-1-3-6(4-2-5)21(13,19)20/h1-4H,(H2,13,19,20)(H5,11,12,14,15,18)	C10H11N7O3S	309.304	10	7	186.76	2	3	0	-2.8953	-1.10254	1.35	0.981	38.992	72.4999	2.0376	249.305202268717
Cond-013009	NSC82769	82769	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.519996098865	[nH]1c(nc(=O)cc1O)SCC	InChI=1S/C6H8N2O2S/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)	C6H8N2O2S	172.205	4	2	86.99	1	2	0	0.4695	0.68247	1.57	1.531	41.7873	48.2095	1.1969	150.149529527856
Cond-013010	NSC83076	83076	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.510540053284	n1cc(cc(c1)C)C(=O)OC	InChI=1S/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3	C8H9NO2	151.163	3	0	39.19	1	2	0	0.6532	0.86461	2.01	1.07	17.4905	42.238	1.1724	141.699255813022
Cond-013011	NSC83237	83237	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.5607497393107	N1CCC(CC1)(O)Cc1ccccc1	InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2	C12H17NO	191.269	2	2	32.26	2	2	0	-1.3972	1.3436	2.56	3.34	28.1698	57.1995	1.6117	192.372967615928
Cond-013012	NSC83339	83339	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.3505675054959	n1nc(oc1c1cccc(c1)OC)N	InChI=1S/C9H9N3O2/c1-13-7-4-2-3-6(5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)	C9H9N3O2	191.187	5	2	74.17	2	2	0	-0.9558	2.18618	1.9	1.491	13.157	53.6644	1.3613	155.095843453623
Cond-013013	NSC83345	83345	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.701810195939	N1CCc2[nH]cnc2C1c1ccccc1	InChI=1S/C12H13N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h1-5,8,11,13H,6-7H2,(H,14,15)	C12H13N3	199.252	3	2	40.71	3	1	0	-1.1676	1.67019	2.45	2.746	17.6217	59.6547	1.558	177.0468852293
Cond-013014	NSC83497	83497	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	40.511298744376	N1(CCN(c2ccccc2C)CC1)C(=S)c1ccc(cc1)OC	InChI=1S/C19H22N2OS/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)19(23)16-7-9-17(22-2)10-8-16/h3-10H,11-14H2,1-2H3	C19H22N2OS	326.456	3	0	47.8	3	4	0	0.9141	4.30351	3.11	4.873	49.9971	101.313	2.5807	309.148350758763
Cond-013015	NSC83715	83715	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	7.83159986386268	N1C(Nc2c3c1cccc3ccc2)c1cccnc1	InChI=1S/C16H13N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10,16,18-19H	C16H13N3	247.295	3	2	36.95	4	1	0	-0.7086	4.02999	2.89	3.813	9.7775	77.6364	1.884	215.064988929567
Cond-013016	NSC83715	83715	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1C(Nc2c3c1cccc3ccc2)c1cccnc1	InChI=1S/C16H13N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10,16,18-19H	C16H13N3	247.295	3	2	36.95	4	1	0	-0.7086	4.02999	2.89	3.813	9.7775	77.6364	1.884	215.064988929567
Cond-013017	NSC83950	83950	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-013018	NSC83950	83950	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.91417407765299	n1c(c(c(c(c1C(=O)O)C)c1ccc(c(c1O)OC)OC)N)c1nc2C(=O)C(=C(C(=O)c2cc1)OC)N	InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)	C25H22N4O8	506.464	12	6	197.18	4	6	0	-2.6667	4.00228	2.89	-1.301	65.3436	136.8514	3.5065	438.865130871024
Cond-013019	NSC83961	83961	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.2221374531992	n1c(Cl)c2ncn(c2nc1)Cc1ccc(cc1)C(=O)OC	InChI=1S/C14H11ClN4O2/c1-21-14(20)10-4-2-9(3-5-10)6-19-8-18-11-12(15)16-7-17-13(11)19/h2-5,7-8H,6H2,1H3	C14H11ClN4O2	302.716	6	0	69.9	3	4	0	0.5697	2.90577	2.23	2.419	25.7008	81.299	2.0504	236.617759758356
Cond-013020	NSC84100	84100	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.957163738813	O1c2ccc(cc2NC1C1Nc2c(O1)ccc(c1ccccc1)c2)c1ccccc1	InChI=1S/C26H20N2O2/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)27-25(29-23)26-28-22-16-20(12-14-24(22)30-26)18-9-5-2-6-10-18/h1-16,25-28H	C26H20N2O2	392.449	4	2	42.52	6	3	1	-0.8846	7.07998	3.88	9.602	16.1932	125.7234	2.92140000000001	348.449776176391
Cond-013021	NSC84126	84126	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.769706560231	n1c(=O)c(/N=N/c2ccc(cc2)[As](=O)(O)O)c([nH]c1SC)N	InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)	C11H12AsN5O4S	385.231	9	5	175.03	2	4	0	-1.0105	-0.73664	1.46	3.323	44.8391	86.3792	2.2877	275.317970857178
Cond-013022	NSC84200	84200	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.968706162006	C12CC(C(C2CN(C)C)O)CC1	InChI=1S/C10H19NO/c1-11(2)6-9-7-3-4-8(5-7)10(9)12/h7-10,12H,3-6H2,1-2H3	C10H19NO	169.264	2	1	23.47	2	2	0	-0.626000000000002	0.955	2.34	0.952	47.1435	48.8818	1.4589	176.590374466595
Cond-013023	NSC8481	8481	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.3743105647212	c1cc(ccc1OCC(=O)O)C(C)(C)C	InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)	C12H16O3	208.254	3	1	46.53	1	4	0	0.9605	3.18218	2.45	3.951	32.5272	63.5768	1.6949	208.676660808883
Cond-013024	NSC85179	85179	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.279587641267	Clc1cc(ccc1)N(CCF)CCF	InChI=1S/C10H12ClF2N/c11-9-2-1-3-10(8-9)14(6-4-12)7-5-13/h1-3,8H,4-7H2	C10H12ClF2N	219.659	1	0	3.24	1	5	0	1.7633	3.61249	2.12	3.747	29.1074	56.039	1.5376	188.69341583548
Cond-013025	NSC85326	85326	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.026004367339	n1cc(c(nc1N)NCCCC)N(=O)=O	InChI=1S/C8H13N5O2/c1-2-3-4-10-7-6(13(14)15)5-11-8(9)12-7/h5H,2-4H2,1H3,(H3,9,10,11,12)	C8H13N5O2	211.221	7	3	106.97	1	5	0	-1.0233	2.00508	1.57	1.889	27.8462	60.5201	1.5716	185.686296645689
Cond-013026	NSC85331	85331	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.567265056151	N1(CC1)P(=O)(N(C)C)N(C)C	InChI=1S/C6H16N3OP/c1-7(2)11(10,8(3)4)9-5-6-9/h5-6H2,1-4H3	C6H16N3OP	177.185	4	0	36.37	1	3	0	-1.2974	-0.8085	1.57	-0.771	46.6693	41.7675	1.4081	161.583668488261
Cond-013027	NSC85433	85433	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	89.9072324034678	o1c2ccccc2c(c1CC)C(=O)c1cc(Br)c(c(Br)c1)O	InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	C17H12Br2O3	424.083	3	1	50.44	3	3	1	0.6627	5.29657	2.78	5.021	35.5382	97.4498	2.3602	276.665069688551
Cond-013028	NSC86467	86467	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.733054736971	O(c1ccc2[C@H]3CC[C@@]4(C(=O)CC[C@H]4[C@@H]3CCc2c1)C)CC(=O)O	InChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1	C20H24O4	328.402	4	1	63.6	4	3	0	-0.0355999999999997	4.30988000000001	3.22	3.94	64.453	94.5008000000001	2.512	316.128929713179
Cond-013029	NSC8675	8675	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	6.36555005442125	[Cl-].C(=C1C=CC(=[N+](CC)CC)C=C1)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC	InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1	C31H42ClN3	492.138	3	0	9.49	3	10	1	0.808599999999997	6.32887000000001	4.54	7.723	97.6339	150.929	4.0416	493.80652896717
Cond-013030	NSC8675	8675	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	NA	[Cl-].C(=C1C=CC(=[N+](CC)CC)C=C1)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC	InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1	C31H42ClN3	492.138	3	0	9.49	3	10	1	0.808599999999997	6.32887000000001	4.54	7.723	97.6339	150.929	4.0416	493.80652896717
Cond-013031	NSC87008	87008	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.154922045436	N1(CCN(CC1)C(=S)Nc1ccccc1)C(CO)(C)C	InChI=1S/C15H23N3OS/c1-15(2,12-19)18-10-8-17(9-11-18)14(20)16-13-6-4-3-5-7-13/h3-7,19H,8-12H2,1-2H3,(H,16,20)	C15H23N3OS	293.428	4	2	70.83	2	5	0	0.4764	2.37199	2.56	3.162	60.7251	87.2165	2.3545	282.127007266662
Cond-013032	NSC87010	87010	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.15013179909	n1cc(ccc1)C(=O)N1CCN(c2ccccc2Cl)CC1	InChI=1S/C16H16ClN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13/h1-7,12H,8-11H2	C16H16ClN3O	301.771	4	0	36.44	3	3	0	0.1691	3.19288	2.67	2.64	34.8039	87.251	2.2167	264.959200802162
Cond-013033	NSC87084	87084	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.407512011672	s1c2ccccc2nc1C(c1cc(c(c(c1)OC)OC)OC)O	InChI=1S/C17H17NO4S/c1-20-12-8-10(9-13(21-2)16(12)22-3)15(19)17-18-11-6-4-5-7-14(11)23-17/h4-9,15,19H,1-3H3	C17H17NO4S	331.386	5	1	89.05	3	5	0	-0.0755	2.96349	2.67	2.485	35.7034	85.9338000000001	2.3752	279.030301400545
Cond-013034	NSC87136	87136	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.459601815396	O(c1ccccc1)CC(O)CN1CCN(c2ccccc2)CC1	InChI=1S/C19H24N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1-10,18,22H,11-16H2	C19H24N2O2	312.406	4	1	35.94	3	6	0	-0.5688	3.27638	3.11	3.93	41.6508	95.5238000000001	2.5189	302.066012102524
Cond-013035	NSC87352	87352	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.601429472862	O(c1ccc(cc1)S(=O)(=O)C)CC=C	InChI=1S/C10H12O3S/c1-3-8-13-9-4-6-10(7-5-9)14(2,11)12/h3-7H,1,8H2,2H3	C10H12O3S	212.265	3	0	51.75	1	4	0	0.2421	2.09498	2.12	2.113	30.8168	50.67	1.5766	192.59371561475
Cond-013036	NSC87690	87690	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.7912051808898	n1c(=O)c2ncn(c2[nH]c1)Cc1ccc(cc1)N(=O)=O	InChI=1S/C12H9N5O3/c18-12-10-11(13-6-14-12)16(7-15-10)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14,18)	C12H9N5O3	271.232	8	1	102.42	3	3	0	-0.6303	2.03107	1.9	2.087	26.2927	77.1097	1.8047	217.501709644917
Cond-013037	NSC87822	87822	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.3725661597998	n1c(ccc(c1)C)NP(=O)(OCC)OCC	InChI=1S/C10H17N2O3P/c1-4-14-16(13,15-5-2)12-10-7-6-9(3)8-11-10/h6-8H,4-5H2,1-3H3,(H,11,12,13)	C10H17N2O3P	244.227	5	1	70.26	1	6	0	0.705	1.92271	1.9	1.508	37.6416	58.6812	1.8603	218.541924082284
Cond-013038	NSC87838	87838	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.177711103973	N1(Cc2ccccc2CC1)C(=O)/C=C/C(=O)N1Cc2ccccc2CC1	InChI=1S/C22H22N2O2/c25-21(23-13-11-17-5-1-3-7-19(17)15-23)9-10-22(26)24-14-12-18-6-2-4-8-20(18)16-24/h1-10H,11-16H2/b10-9+	C22H22N2O2	346.422	4	0	40.62	4	4	0	-0.457599999999999	2.19348	3.44	4.938	52.8038	101.727	2.704	333.688131176924
Cond-013039	NSC8813	8813	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.845132012919	O=c1n(c(=O)c2n(c(=O)n(c2n1C)CC)C)C	InChI=1S/C10H14N4O3/c1-5-14-7-6(11(2)10(14)17)8(15)13(4)9(16)12(7)3/h5H2,1-4H3	C10H14N4O3	238.243	7	0	64.17	2	1	0	-0.688999999999999	0.22668	1.79	-0.629	59.5944	61.467	1.7037	216.615273689017
Cond-013040	NSC8816	8816	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.700976310049	O=c1n(c(=O)c2n(c(nc2n1C)OCCC)C)C	InChI=1S/C11H16N4O3/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5-6H2,1-4H3	C11H16N4O3	252.27	7	0	67.67	2	3	0	-0.810299999999999	1.62947	1.9	0.207	50.0138	69.99	1.8446	223.011258314884
Cond-013041	NSC88324	88324	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.670092109137	Brc1ccc(c(Br)c1)N	InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2	C6H5Br2N	250.919	1	2	26.02	1	0	0	1.0277	3.90209	1.79	2.634	21.4203	46.6704	1.1662	130.7305298161
Cond-013042	NSC88349	88349	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	104.357051636601	O=c1o[nH]c(n1)C(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C5HF7N2O2/c6-3(7,1-13-2(15)16-14-1)4(8,9)5(10,11)12/h(H,13,14,15)	C5HF7N2O2	254.062	4	1	50.69	1	3	0	1.3858	1.36828	0.8	2.749	30.562	36.6697	1.0594	159.453891497334
Cond-013043	NSC88402	88402	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.4245939417203	N1P(=S)(Nc2c1ccc(c2)OC)Oc1ccccc1	InChI=1S/C13H13N2O2PS/c1-16-11-7-8-12-13(9-11)15-18(19,14-12)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,19)	C13H13N2O2PS	292.293	4	2	84.42	3	3	0	-0.3388	4.70837	2.23	4.836	28.615	82.2654	2.0416	236.626381812923
Cond-013044	NSC88402	88402	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1P(=S)(Nc2c1ccc(c2)OC)Oc1ccccc1	InChI=1S/C13H13N2O2PS/c1-16-11-7-8-12-13(9-11)15-18(19,14-12)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,19)	C13H13N2O2PS	292.293	4	2	84.42	3	3	0	-0.3388	4.70837	2.23	4.836	28.615	82.2654	2.0416	236.626381812923
Cond-013045	NSC88600	88600	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	96.2566832057611	N1(CCN(c2ccccc2Cl)CC1)C(=S)c1cc(c(cc1)OC)OC	InChI=1S/C19H21ClN2O2S/c1-23-17-8-7-14(13-18(17)24-2)19(25)22-11-9-21(10-12-22)16-6-4-3-5-15(16)20/h3-8,13H,9-12H2,1-2H3	C19H21ClN2O2S	376.9	4	0	57.03	3	5	0	0.964600000000002	4.88278	2.89	4.202	57.4264	108.969	2.7618	333.149645229757
Cond-013046	NSC88795	88795	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.680257231004	O=C1C(CCC1)C(=O)Nc1cc2ccccc2cc1	InChI=1S/C16H15NO2/c18-15-7-3-6-14(15)16(19)17-13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14H,3,6-7H2,(H,17,19)	C16H15NO2	253.296	3	1	46.17	3	3	0	-1.0409	3.98148	2.89	3.722	28.3217	78.4117	1.9534	236.544839315956
Cond-013047	NSC88811	88811	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	87.6885578225904	O(c1nc(ncc1)c1ccccc1)CC=C	InChI=1S/C13H12N2O/c1-2-10-16-12-8-9-14-13(15-12)11-6-4-3-5-7-11/h2-9H,1,10H2	C13H12N2O	212.247	3	0	35.01	2	4	0	0.565000000000001	3.08818	2.56	4.157	16.4785	64.815	1.6804	199.219877646761
Cond-013048	NSC88882	88882	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	8.2821216176698	n1c2c(cccc2nc2c1cccc2)O	InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H	C12H8N2O	196.205	3	1	46.01	3	0	0	-0.4603	3.26438	2.45	2.645	2.5646	62.169	1.4309	158.667434320095
Cond-013049	NSC88882	88882	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1c2c(cccc2nc2c1cccc2)O	InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H	C12H8N2O	196.205	3	1	46.01	3	0	0	-0.4603	3.26438	2.45	2.645	2.5646	62.169	1.4309	158.667434320095
Cond-013050	NSC88883	88883	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.0461690296278	c1ccc2c(c1)n(C1=CCNCC1)c(=O)[nH]2	InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)	C12H13N3O	215.251	4	2	44.37	3	1	0	-1.2919	2.03997	2.34	1.268	35.2249	66.3364	1.6167	196.737111929861
Cond-013051	NSC88916	88916	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	35.0480620991191	O=C1CC[C@@]2([C@H]3CC[C@@]4([C@@H](c5nc(sc5)C)CC[C@H]4[C@@H]3CCC2=C1)C)C	InChI=1S/C23H31NOS/c1-14-24-21(13-26-14)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12-13,17-20H,4-11H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1	C23H31NOS	369.563	2	0	58.2	5	1	1	1.9234	6.40660000000001	3.66	6.467	94.7809	109.485	2.9563	361.431987754863
Cond-013052	NSC88962	88962	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4947966849896	O1c2cc(c(c(c2C(=O)C1)OC)O)OC	InChI=1S/C10H10O5/c1-13-7-3-6-8(5(11)4-15-6)10(14-2)9(7)12/h3,12H,4H2,1-2H3	C10H10O5	210.183	5	1	64.99	2	2	0	-1.1836	0.952890000000001	2.01	-0.535	28.7233	54.0578	1.4219	179.308686257472
Cond-013053	NSC88998	88998	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.436281045281	N1(CC2CCC(CC2)C1)C(=O)C(Cl)Cl	InChI=1S/C10H15Cl2NO/c11-9(12)10(14)13-5-7-1-2-8(6-13)4-3-7/h7-9H,1-6H2	C10H15Cl2NO	236.138	2	0	20.31	1	2	0	1.0036	2.67259	2.12	1.979	55.6789	60.765	1.6607	204.376051306661
Cond-013054	NSC89201	89201	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.9767119526412	ClCCN(CCCl)C(=O)Oc1ccc2[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CCc2c1)O)C	InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1	C23H31Cl2NO3	440.403	4	1	49.77	4	7	1	1.4414	5.28078000000001	3.33	6.698	88.9043	121.0178	3.2636	403.282011340052
Cond-013055	NSC89249	89249	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.469444403321	c1cc(ccc1C(O)CNC(=O)C)N(=O)=O	InChI=1S/C10H12N2O4/c1-7(13)11-6-10(14)8-2-4-9(5-3-8)12(15)16/h2-5,10,14H,6H2,1H3,(H,11,13)	C10H12N2O4	224.213	6	2	92.47	1	5	0	-0.4639	0.51609	1.9	1.2	27.4306	61.0785	1.6284	202.231979973245
Cond-013056	NSC89258	89258	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.018861653588	O1c2c3c(cccc3c3ccccc13)ccc2	InChI=1S/C16H10O/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-15(17-14)16(11)13/h1-10H	C16H10O	218.25	1	0	9.23	4	0	1	-0.1541	5.16169	3.11	5.939	1.6191	72.403	1.6433	190.864935005628
Cond-013057	NSC89349	89349	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	8.52553953403212	Clc1ccc(cc1)SCNc1ccccc1Cl	InChI=1S/C13H11Cl2NS/c14-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2	C13H11Cl2NS	284.204	1	1	37.33	2	4	0	1.6643	4.58819	2.45	4.878	26.5586	72.9027	1.9732	231.0005090373
Cond-013058	NSC89349	89349	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc(cc1)SCNc1ccccc1Cl	InChI=1S/C13H11Cl2NS/c14-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2	C13H11Cl2NS	284.204	1	1	37.33	2	4	0	1.6643	4.58819	2.45	4.878	26.5586	72.9027	1.9732	231.0005090373
Cond-013059	NSC89429	89429	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	11.0407762086689	N1(CCN(c2ccccc2Cl)CC1)C(=S)NCC=C	InChI=1S/C14H18ClN3S/c1-2-7-16-14(19)18-10-8-17(9-11-18)13-6-4-3-5-12(13)15/h2-6H,1,7-11H2,(H,16,19)	C14H18ClN3S	295.831	3	1	50.6	2	5	0	1.7944	2.97578	2.45	3.494	60.1553	86.1897	2.2343	268.615405009867
Cond-013060	NSC89429	89429	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(c2ccccc2Cl)CC1)C(=S)NCC=C	InChI=1S/C14H18ClN3S/c1-2-7-16-14(19)18-10-8-17(9-11-18)13-6-4-3-5-12(13)15/h2-6H,1,7-11H2,(H,16,19)	C14H18ClN3S	295.831	3	1	50.6	2	5	0	1.7944	2.97578	2.45	3.494	60.1553	86.1897	2.2343	268.615405009867
Cond-013061	NSC89602	89602	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.06886376743	O(c1ccc(cc1)OC)CC(O)CN1CCN(c2ccc(Cl)cc2)CC1	InChI=1S/C20H25ClN2O3/c1-25-19-6-8-20(9-7-19)26-15-18(24)14-22-10-12-23(13-11-22)17-4-2-16(21)3-5-17/h2-9,18,24H,10-15H2,1H3	C20H25ClN2O3	376.877	5	1	45.17	3	7	0	0.123699999999999	3.93838	3	3.16	54.5822	107.0858	2.8409	343.363291199385
Cond-013062	NSC89720	89720	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	99.886542480524	n1cc(ccc1)CCC(=O)O	InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)	C8H9NO2	151.163	3	1	50.19	1	3	0	-0.1426	1.33269	2.01	0.987	16.6339	43.4368	1.1724	141.699255813022
Cond-013063	NSC89723	89723	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.201562912858	c1(cc(c(cc1OC)S(=O)(=O)N)OC)N	InChI=1S/C8H12N2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H2,10,11,12)	C8H12N2O4S	232.257	6	4	113.02	1	3	0	-1.79	0.948080000000001	1.57	-1.038	29.9953	53.0888	1.5961	191.421952180711
Cond-013064	NSC89759	89759	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	18.4450664386388	c1cc(ccc1CC(=O)c1ccc(cc1O)O)OC	InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3	C15H14O4	258.269	4	2	66.76	2	4	0	-1.2014	2.50019	2.67	2.462	22.3402	73.8216	1.9387	238.189006583845
Cond-013065	NSC89759	89759	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1cc(ccc1CC(=O)c1ccc(cc1O)O)OC	InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3	C15H14O4	258.269	4	2	66.76	2	4	0	-1.2014	2.50019	2.67	2.462	22.3402	73.8216	1.9387	238.189006583845
Cond-013066	NSC89821	89821	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.4538479006245	O1C(OCC1)(CCl)CCc1ccc(cc1)NCCCc1c([nH]c(nc1=O)N)C	InChI=1S/C20H27ClN4O3/c1-14-17(18(26)25-19(22)24-14)3-2-10-23-16-6-4-15(5-7-16)8-9-20(13-21)27-11-12-28-20/h4-7,23H,2-3,8-13H2,1H3,(H3,22,24,25,26)	C20H27ClN4O3	406.906	7	4	97.97	3	9	0	-1.3434	3.16956	2.78	3.52	78.9571	114.3378	3.0405	376.256811615719
Cond-013067	NSC9032	9032	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	21.1069784415557	N(c1ccccc1)(c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1	InChI=1S/C25H20N2O/c28-25(26(21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H	C25H20N2O	364.439	3	0	23.55	4	6	1	-0.6277	7.43517	3.88	9.806	9.9426	119.144	2.896	344.440023550763
Cond-013068	NSC9037	9037	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	122.529644672291	o1c2c(c(c3c(cccc3)O)c3cc(c(cc13)O)O)cc(c(=O)c2)O	InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H	C19H12O6	336.295	6	4	107.22	4	1	0	-1.9032	3.31055	2.89	2.856	44.0326	92.0322	2.2735	292.331104984434
Cond-013069	NSC9064	9064	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	102.141871940049	O=C1C(C(C(C1CO)CO)CO)CO	InChI=1S/C9H16O5/c10-1-5-6(2-11)8(4-13)9(14)7(5)3-12/h5-8,10-13H,1-4H2	C9H16O5	204.22	5	4	97.99	1	4	0	-2.9602	-1.76301	1.9	-2.139	47.302	50.5532	1.5186	193.178536434806
Cond-013070	NSC90749	90749	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	24.5978569721342	S=C1NC(=O)C(=Cc2ccc(cc2)N(CC)CC)C(=O)N1	InChI=1S/C15H17N3O2S/c1-3-18(4-2)11-7-5-10(6-8-11)9-12-13(19)16-15(21)17-14(12)20/h5-9H,3-4H2,1-2H3,(H2,16,17,19,20,21)	C15H17N3O2S	303.379	5	2	93.53	2	4	0	1.0152	1.49828	2.45	2.328	59.794	89.0444	2.2842	283.007857864823
Cond-013071	NSC91340	91340	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.0088322453246	Clc1ccc(cc1)OCC(O)CN1CCN(c2cccc(Cl)c2)CC1	InChI=1S/C19H22Cl2N2O2/c20-15-4-6-19(7-5-15)25-14-18(24)13-22-8-10-23(11-9-22)17-3-1-2-16(21)12-17/h1-7,12,18,24H,8-11,13-14H2	C19H22Cl2N2O2	381.296	4	1	35.94	3	6	0	0.9198	4.58318	2.89	3.7	52.882	105.5438	2.7637	332.488147643391
Cond-013072	NSC91340	91340	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1ccc(cc1)OCC(O)CN1CCN(c2cccc(Cl)c2)CC1	InChI=1S/C19H22Cl2N2O2/c20-15-4-6-19(7-5-15)25-14-18(24)13-22-8-10-23(11-9-22)17-3-1-2-16(21)12-17/h1-7,12,18,24H,8-11,13-14H2	C19H22Cl2N2O2	381.296	4	1	35.94	3	6	0	0.9198	4.58318	2.89	3.7	52.882	105.5438	2.7637	332.488147643391
Cond-013073	NSC91355	91355	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.66770675793723	Clc1c(cccc1)OCC(O)CN1CCN(c2cccc(c2)C)CC1	InChI=1S/C20H25ClN2O2/c1-16-5-4-6-17(13-16)23-11-9-22(10-12-23)14-18(24)15-25-20-8-3-2-7-19(20)21/h2-8,13,18,24H,9-12,14-15H2,1H3	C20H25ClN2O2	360.878	4	1	35.94	3	6	0	0.8175	3.9578	3.11	4.138	52.7685	104.1738	2.7822	334.573064498824
Cond-013074	NSC91355	91355	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	Clc1c(cccc1)OCC(O)CN1CCN(c2cccc(c2)C)CC1	InChI=1S/C20H25ClN2O2/c1-16-5-4-6-17(13-16)23-11-9-22(10-12-23)14-18(24)15-25-20-8-3-2-7-19(20)21/h2-8,13,18,24H,9-12,14-15H2,1H3	C20H25ClN2O2	360.878	4	1	35.94	3	6	0	0.8175	3.9578	3.11	4.138	52.7685	104.1738	2.7822	334.573064498824
Cond-013075	NSC91356	91356	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	30.5398764130821	Clc1ccc(cc1)OCC(O)CN1CCN(c2cccc(c2)C)CC1	InChI=1S/C20H25ClN2O2/c1-16-3-2-4-18(13-16)23-11-9-22(10-12-23)14-19(24)15-25-20-7-5-17(21)6-8-20/h2-8,13,19,24H,9-12,14-15H2,1H3	C20H25ClN2O2	360.878	4	1	35.94	3	6	0	0.8175	3.9578	3.11	4.138	52.7685	104.1738	2.7822	334.573064498824
Cond-013076	NSC91357	91357	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.96653161056822	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1ccccc1C)O	InChI=1S/C20H25ClN2O2/c1-16-4-2-3-5-20(16)25-15-19(24)14-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,19,24H,10-15H2,1H3	C20H25ClN2O2	360.878	4	1	35.94	3	6	0	0.8175	4.01251	3.11	3.927	52.7685	104.4398	2.7822	334.573064498824
Cond-013077	NSC91357	91357	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1ccccc1C)O	InChI=1S/C20H25ClN2O2/c1-16-4-2-3-5-20(16)25-15-19(24)14-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,19,24H,10-15H2,1H3	C20H25ClN2O2	360.878	4	1	35.94	3	6	0	0.8175	4.01251	3.11	3.927	52.7685	104.4398	2.7822	334.573064498824
Cond-013078	NSC91368	91368	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.57805971032436	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1cccc(c1)OC)O	InChI=1S/C20H25ClN2O3/c1-25-19-3-2-4-20(13-19)26-15-18(24)14-22-9-11-23(12-10-22)17-7-5-16(21)6-8-17/h2-8,13,18,24H,9-12,14-15H2,1H3	C20H25ClN2O3	376.877	5	1	45.17	3	7	0	0.123699999999999	3.93838	3	3.16	54.5822	107.0858	2.8409	343.363291199385
Cond-013079	NSC91368	91368	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1cccc(c1)OC)O	InChI=1S/C20H25ClN2O3/c1-25-19-3-2-4-20(13-19)26-15-18(24)14-22-9-11-23(12-10-22)17-7-5-16(21)6-8-17/h2-8,13,18,24H,9-12,14-15H2,1H3	C20H25ClN2O3	376.877	5	1	45.17	3	7	0	0.123699999999999	3.93838	3	3.16	54.5822	107.0858	2.8409	343.363291199385
Cond-013080	NSC91378	91378	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.2041403199749	N1(CCN(c2ccccc2)CC1)CC(COc1cccc(c1)OC)O	InChI=1S/C20H26N2O3/c1-24-19-8-5-9-20(14-19)25-16-18(23)15-21-10-12-22(13-11-21)17-6-3-2-4-7-17/h2-9,14,18,23H,10-13,15-16H2,1H3	C20H26N2O3	342.432	5	1	45.17	3	7	0	-0.620600000000001	3.28498	3.11	3.275	48.9666	102.0758	2.7185	328.152223428952
Cond-013081	NSC91382	91382	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	28.9256998751978	N1(CCN(c2ccc(cc2)C)CC1)CC(COc1cccc(c1)C)O	InChI=1S/C21H28N2O2/c1-17-6-8-19(9-7-17)23-12-10-22(11-13-23)15-20(24)16-25-21-5-3-4-18(2)14-21/h3-9,14,20,24H,10-13,15-16H2,1-2H3	C21H28N2O2	340.459	4	1	35.94	3	6	0	0.7152	3.33242	3.33	4.576	52.655	102.8038	2.8007	336.657981354258
Cond-013082	NSC91396	91396	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	5.90676678846981	N1(CCN(c2ccccc2Cl)CC1)CC(COc1cccc2ccccc12)O	InChI=1S/C23H25ClN2O2/c24-21-9-3-4-10-22(21)26-14-12-25(13-15-26)16-19(27)17-28-23-11-5-7-18-6-1-2-8-20(18)23/h1-11,19,27H,12-17H2	C23H25ClN2O2	396.91	4	1	35.94	4	6	1	0.1755	5.08298000000001	3.44	5.48	47.2664	118.0398	3.0103	357.931642274024
Cond-013083	NSC91396	91396	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	N1(CCN(c2ccccc2Cl)CC1)CC(COc1cccc2ccccc12)O	InChI=1S/C23H25ClN2O2/c24-21-9-3-4-10-22(21)26-14-12-25(13-15-26)16-19(27)17-28-23-11-5-7-18-6-1-2-8-20(18)23/h1-11,19,27H,12-17H2	C23H25ClN2O2	396.91	4	1	35.94	4	6	1	0.1755	5.08298000000001	3.44	5.48	47.2664	118.0398	3.0103	357.931642274024
Cond-013084	NSC91397	91397	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	109.369815169795	N1(CCN(c2ccc(Cl)cc2)CC1)CC(COc1cccc2ccccc12)O	InChI=1S/C23H25ClN2O2/c24-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-21(27)17-28-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,21,27H,12-17H2	C23H25ClN2O2	396.91	4	1	35.94	4	6	1	0.1755	5.08298000000001	3.44	5.48	47.2664	118.0398	3.0103	357.931642274024
Cond-013085	NSC91438	91438	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.758535198805	n1nc(ccc1)CC(=O)C(=O)OCC	InChI=1S/C9H10N2O3/c1-2-14-9(13)8(12)6-7-4-3-5-10-11-7/h3-5H,2,6H2,1H3	C9H10N2O3	194.187	5	0	69.15	1	5	0	0.0326000000000004	0.38519	1.9	0.946	26.1774	50.619	1.4288	176.145768646817
Cond-013086	NSC91516	91516	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	97.8316039331005	n1cc(ccc1)C(=O)C(=O)c1cccnc1	InChI=1S/C12H8N2O2/c15-11(9-3-1-5-13-7-9)12(16)10-4-2-6-14-8-10/h1-8H	C12H8N2O2	212.204	4	0	59.92	2	3	0	-0.5276	1.51059	2.34	1.27	10.692	60.1565	1.5552	188.077661020656
Cond-013087	NSC91529	91529	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.8016963528545	c1c(ccc(c1O)O)/C=C/C(=O)OC1(CC(C(C(C1)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)C(=O)O	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3?,8-4+	C25H24O12	516.451	12	7	211.28	3	9	1	-2.3865	0.898070000000005	2.89	1.085	77.0776	126.3166	3.53670000000001	458.568372943002
Cond-013088	NSC92207	92207	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	7.31469475794585	Fc1c2c(nccc2)c(c(c1)N(=O)=O)O	InChI=1S/C9H5FN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H	C9H5FN2O3	208.146	5	1	76.26	2	1	0	0.6795	2.81378	1.79	2.558	7.3271	54.0438	1.2949	156.320410095523
Cond-013089	NSC92207	92207	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	Fc1c2c(nccc2)c(c(c1)N(=O)=O)O	InChI=1S/C9H5FN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H	C9H5FN2O3	208.146	5	1	76.26	2	1	0	0.6795	2.81378	1.79	2.558	7.3271	54.0438	1.2949	156.320410095523
Cond-013090	NSC92264	92264	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	95.8022070267623	O=c1[nH]c2c(nc(c1)C)[nH]cnc2	InChI=1S/C8H8N4O/c1-5-2-7(13)12-6-3-9-4-10-8(6)11-5/h2-4H,1H3,(H,12,13)(H,9,10,11)	C8H8N4O	176.175	5	2	65.85	2	0	0	-1.8469	-0.12464	1.79	-0.514	47.9143	52.5634	1.2615	161.806392335361
Cond-013091	NSC92709	92709	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	95.5104060487011	n1c(ccn(C2OCCCC2)c1=O)OC	InChI=1S/C10H14N2O3/c1-14-8-5-6-12(10(13)11-8)9-4-2-3-7-15-9/h5-6,9H,2-4,7H2,1H3	C10H14N2O3	210.23	5	0	51.13	2	2	0	-1.6274	0.92907	2.01	0.771	48.2169	57.809	1.5471	197.258211973484
Cond-013092	NSC92753	92753	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.9745650782564	S=C1NC(N(C1(C)C)N=O)(C)C	InChI=1S/C7H13N3OS/c1-6(2)5(12)8-7(3,4)10(6)9-11/h1-4H3,(H,8,12)	C7H13N3OS	187.263	4	1	76.79	1	1	0	0.8672	0.901	1.68	1.508	51.9555	50.2927	1.4219	172.288506362128
Cond-013093	NSC92794	92794	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	77.6235364404896	c1cc(ccc1Nc1ccc(cc1N)N(=O)=O)O	InChI=1S/C12H11N3O3/c13-11-7-9(15(17)18)3-6-12(11)14-8-1-4-10(16)5-2-8/h1-7,14,16H,13H2	C12H11N3O3	245.234	6	4	101.42	2	3	0	-0.9705	3.64718	2.12	2.382	13.9767	72.1239	1.7567	210.501106630184
Cond-013094	NSC92849	92849	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	96.3668821985695	O1C2C3(C(=O)N(C(=O)C3(C1CC2)C)c1nccs1)C	InChI=1S/C13H14N2O3S/c1-12-7-3-4-8(18-7)13(12,2)10(17)15(9(12)16)11-14-5-6-19-11/h5-8H,3-4H2,1-2H3	C13H14N2O3S	278.327	5	0	87.74	4	1	0	-0.4542	2.35108	2.23	0.253	50.6598	72.383	1.8731	229.405813806284
Cond-013095	NSC92892	92892	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.178861192855	O=[As](c1cc(c(cc1)O)NC(=O)c1ccccc1)(O)O	InChI=1S/C13H12AsNO5/c16-12-7-6-10(14(18,19)20)8-11(12)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H2,18,19,20)	C13H12AsNO5	337.16	6	4	106.86	2	4	0	-1.351	0.773980000000001	2.12	3.603	16.0046	76.2786	2.0655	245.304101919206
Cond-013096	NSC92937	92937	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n1(c2c3C(=O)C=CC(=O)c3ccc2c2c1cccc2)C	InChI=1S/C17H11NO2/c1-18-13-5-3-2-4-10(13)11-6-7-12-14(19)8-9-15(20)16(12)17(11)18/h2-9H,1H3	C17H11NO2	261.275	3	0	39.07	4	0	0	-0.1577	3.56647	3	2.848	29.4551	82.0185	1.8997	225.311447839423
Cond-013097	NSC92937	92937	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	16.4247952797472	n1(c2c3C(=O)C=CC(=O)c3ccc2c2c1cccc2)C	InChI=1S/C17H11NO2/c1-18-13-5-3-2-4-10(13)11-6-7-12-14(19)8-9-15(20)16(12)17(11)18/h2-9H,1H3	C17H11NO2	261.275	3	0	39.07	4	0	0	-0.1577	3.56647	3	2.848	29.4551	82.0185	1.8997	225.311447839423
Cond-013098	NSC93033	93033	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	103.159708263679	O=c1n(ccc(=O)[nH]1)CC(=O)Nc1cc(c(cc1)C(=O)O)O	InChI=1S/C13H11N3O6/c17-9-5-7(1-2-8(9)12(20)21)14-11(19)6-16-4-3-10(18)15-13(16)22/h1-5,17H,6H2,(H,14,19)(H,20,21)(H,15,18,22)	C13H11N3O6	305.243	9	4	136.04	2	5	0	-2.4478	-0.0110200000000003	1.9	0.0279999999999998	46.1567	75.832	2.0307	262.431312656934
Cond-013099	NSC93260	93260	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.004347301432	N(CC)(CC)CCOCC=C	InChI=1S/C9H19NO/c1-4-8-11-9-7-10(5-2)6-3/h4H,1,5-9H2,2-3H3	C9H19NO	157.253	2	0	12.47	0	7	0	1.3068	1.45699	2.23	1.334	48.7819	48.534	1.4922	181.370848541528
Cond-013100	NSC9341	9341	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.348344349775	O1c2ccccc2OCC1COC(=O)N(C)C	InChI=1S/C12H15NO4/c1-13(2)12(14)16-8-9-7-15-10-5-3-4-6-11(10)17-9/h3-6,9H,7-8H2,1-2H3	C12H15NO4	237.252	5	0	48	2	4	0	-0.214800000000001	1.62338	2.23	1.548	36.2467	66.303	1.7448	216.107189016811
Cond-013101	NSC93427	93427	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	10.3538840447501	n12c(c(cc1c1ccccc1cc2)C(=O)N)c1ccccc1	InChI=1S/C19H14N2O/c20-19(22)16-12-17-15-9-5-4-6-13(15)10-11-21(17)18(16)14-7-2-1-3-8-14/h1-12H,(H2,20,22)	C19H14N2O	286.327	3	2	47.5	4	2	1	-0.6216	3.87519	3.22	5.617	10.3395	92.7624	2.1796	248.573491897962
Cond-013102	NSC93427	93427	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	n12c(c(cc1c1ccccc1cc2)C(=O)N)c1ccccc1	InChI=1S/C19H14N2O/c20-19(22)16-12-17-15-9-5-4-6-13(15)10-11-21(17)18(16)14-7-2-1-3-8-14/h1-12H,(H2,20,22)	C19H14N2O	286.327	3	2	47.5	4	2	1	-0.6216	3.87519	3.22	5.617	10.3395	92.7624	2.1796	248.573491897962
Cond-013103	NSC9358	9358	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	9.66743030893861	N(=N\c1ncccc1)/c1ccc(cc1)N(C)C	InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3	C13H14N4	226.277	4	0	40.85	2	3	0	0.2178	3.35838	2.45	4.058	14.2914	70.812	1.8213	212.423171362534
Cond-013104	NSC9358	9358	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	N(=N\c1ncccc1)/c1ccc(cc1)N(C)C	InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3	C13H14N4	226.277	4	0	40.85	2	3	0	0.2178	3.35838	2.45	4.058	14.2914	70.812	1.8213	212.423171362534
Cond-013105	NSC93817	93817	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.92002599041567	o1c2ccc(cc2[nH]c1=S)c1ccccc1	InChI=1S/C13H9NOS/c16-13-14-11-8-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h1-8H,(H,14,16)	C13H9NOS	227.282	2	1	53.35	3	1	1	0.8151	3.99199	2.56	5.492	16.7837	71.6717	1.6355	194.375682795395
Cond-013106	NSC93817	93817	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	o1c2ccc(cc2[nH]c1=S)c1ccccc1	InChI=1S/C13H9NOS/c16-13-14-11-8-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h1-8H,(H,14,16)	C13H9NOS	227.282	2	1	53.35	3	1	1	0.8151	3.99199	2.56	5.492	16.7837	71.6717	1.6355	194.375682795395
Cond-013107	NSC93945	93945	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.225705326826	O=C1NC(=O)C(=Cc2cc(c(cc2)O)OC)C(=O)N1	InChI=1S/C12H10N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,18)	C12H10N2O5	262.218	7	3	104.73	2	2	0	-1.1146	-0.43452	2.01	0.014	38.8045	66.1092	1.7743	227.984799823139
Cond-013108	NSC9441	9441	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	103.70148430412	n1[nH]c(nc1N)CO.OCC(=O)O	InChI=1S/C3H6N4O.C2H4O3/c4-3-5-2(1-8)6-7-3;3-1-2(4)5/h8H,1H2,(H3,4,5,6,7);3H,1H2,(H,4,5)	C5H10N4O4	190.157	5	4	87.82	1	1	0	-1.619	-1.4823	1.24	-0.98	14.7989	27.7012	0.7946	84.692304009228
Cond-013109	NSC94600	94600	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	14.7548835974452	n1c2c3n(c(=O)c4COC(=O)[C@](c4c3)(O)CC)Cc2cc2ccccc12	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	C20H16N2O4	348.352	6	1	79.73	5	1	0	-1.587	1.96906	3	2.133	54.3602	95.6918	2.431	304.320156625513
Cond-013110	NSC94600	94600	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	n1c2c3n(c(=O)c4COC(=O)[C@](c4c3)(O)CC)Cc2cc2ccccc12	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	C20H16N2O4	348.352	6	1	79.73	5	1	0	-1.587	1.96906	3	2.133	54.3602	95.6918	2.431	304.320156625513
Cond-013111	NSC9461	9461	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.9258157584449	c1c(cncc1Br)C(=O)O	InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)	C6H4BrNO2	202.005	3	1	50.19	1	1	0	0.649	1.51069	1.68	1.071	15.8184	41.9178	1.0656	126.390905538856
Cond-013112	NSC9489	9489	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	101.805850849313	n1c(cccc1)/C=C/c1ncccc1	InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H	C12H10N2	182.221	2	0	25.78	2	2	0	0.4678	2.76058	2.56	3.676	10.3186	56.589	1.4808	173.133666320334
Cond-013113	NSC95204	95204	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	101.637301505228	[nH]1c(nc(=O)cc1N)NP(=S)(OCCC)OCCC	InChI=1S/C10H19N4O3PS/c1-3-5-16-18(19,17-6-4-2)14-10-12-8(11)7-9(15)13-10/h7H,3-6H2,1-2H3,(H4,11,12,13,14,15,19)	C10H19N4O3PS	306.322	7	4	139.87	1	8	0	-1.3009	0.66797	1.57	2.951	73.142	75.5353	2.2234	269.944468556217
Cond-013114	NSC95909	95909	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.680226183364	O=C1NC(=O)NC(=O)C1=Cc1cc2ccccc2cc1	InChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H2,16,17,18,19,20)	C15H10N2O3	266.252	5	2	75.27	3	1	0	-0.6025	1.00448	2.56	4.563	28.9241	75.3984	1.885	233.762924197217
Cond-013115	NSC95916	95916	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	100.009576464588	O=c1n(c(=O)c2[nH]c(nc2n1C)CCCc1ccc(cc1)N(=O)=O)C	InChI=1S/C16H17N5O4/c1-19-14-13(15(22)20(2)16(19)23)17-12(18-14)5-3-4-10-6-8-11(9-7-10)21(24)25/h6-9H,3-5H2,1-2H3,(H,17,18)	C16H17N5O4	343.337	9	1	112.44	3	5	0	-0.820500000000001	1.88568	2.23	3.332	44.1561	95.97	2.427	295.475874848946
Cond-013116	NSC96021	96021	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	5.80196999842542	O1C2(NCC(CC2)C)C(C2C1CC1C2(CCC2C1CC=C1C2(CCC(C1)OC(=O)C)C)C)C	InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3	C29H45NO3	455.672	4	1	47.56	6	2	1	0.389899999999999	6.01778000000001	4.21	6.585	125.0198	132.2717	3.733	468.095783554387
Cond-013117	NSC96021	96021	10-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	O1C2(NCC(CC2)C)C(C2C1CC1C2(CCC2C1CC=C1C2(CCC(C1)OC(=O)C)C)C)C	InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3	C29H45NO3	455.672	4	1	47.56	6	2	1	0.389899999999999	6.01778000000001	4.21	6.585	125.0198	132.2717	3.733	468.095783554387
Cond-013118	NSC96491	96491	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.767233474031	N1(CCCC/C(=N\O)/C(=N/O)/CCCC1)CC	InChI=1S/C12H23N3O2/c1-2-15-9-5-3-7-11(13-16)12(14-17)8-4-6-10-15/h16-17H,2-10H2,1H3/b13-11+,14-12+	C12H23N3O2	241.33	5	2	68.42	1	1	0	-1.1371	2.69349	2.23	1.48	60.8195	70.6782	2.0216	249.049632134422
Cond-013119	NSC96541	96541	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	102.66181200407	N1(C(C=Cc2c3ccccc3ccc12)C#N)C(=O)c1ccccc1	InChI=1S/C21H14N2O/c22-14-17-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(17)21(24)16-7-2-1-3-8-16/h1-13,17H	C21H14N2O	310.349	3	0	44.1	4	2	1	-0.2894	4.28908	3.44	6.62	27.2815	96.0905	2.3754	288.792543748096
Cond-013120	NSC96979	96979	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.299611404239	N1(CCCC1)CCCCC#N	InChI=1S/C9H16N2/c10-6-2-1-3-7-11-8-4-5-9-11/h1-5,7-9H2	C9H16N2	152.237	2	0	27.03	1	4	0	-1.0345	1.84229	2.23	0.936	39.4288	46.656	1.3817	168.584464647534
Cond-013121	NSC96996	96996	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	92.6177728225185	n1c2ccccc2c(=O)n(c1/C=C/c1ncccc1)c1ccccc1C	InChI=1S/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3	C22H17N3O	339.39	4	0	45.56	4	3	1	0.403	4.77859	3.44	6.324	29.3857	107.164	2.6161	317.08528858213
Cond-013122	NSC97090	97090	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	101.172350537751	O=c1cc(n2c([nH]1)ncn2)N	InChI=1S/C5H5N5O/c6-3-1-4(11)9-5-7-2-8-10(3)5/h1-2H,6H2,(H,7,8,9,11)	C5H5N5O	151.126	6	3	85.83	2	0	0	-1.0011	-0.37362	1.35	-0.719	22.8459	41.3961	0.9816	112.651657366728
Cond-013123	NSC97104	97104	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	29.0441538345711	[nH]1c2cc(c(cc2nc1CS)C)C	InChI=1S/C10H12N2S/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)	C10H12N2S	192.281	2	1	67.48	2	1	0	1.3862	2.09243	2.23	3.12	27.708	58.088	1.4915	164.9600972286
Cond-013124	NSC97538	97538	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.5534654660106	O1C(CCC1)CNCCCC	InChI=1S/C9H19NO/c1-2-3-6-10-8-9-5-4-7-11-9/h9-10H,2-8H2,1H3	C9H19NO	157.253	2	1	21.26	1	5	0	-1.6908	1.5551	2.23	1.527	39.9987	46.7517	1.4266	171.650848541528
Cond-013125	NSC9782	9782	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.490682820152	O=C1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2C=Cc2c1c(cc(c2)O)C)C	InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1	C19H22O2	282.377	2	1	37.3	4	0	0	1.1634	3.97720000000001	3.33	4.208	60.8908	84.2648000000001	2.2537	281.25249168619
Cond-013126	NSC97865	97865	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	85.9826928371047	O(c1cccc(c1)C(F)(F)F)CC1OC(=S)NC1	InChI=1S/C11H10F3NO2S/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-5-15-10(18)17-9/h1-4,9H,5-6H2,(H,15,18)	C11H10F3NO2S	277.263	3	1	62.58	2	4	0	1.7319	2.0164	1.9	3.477	37.6597	61.6347	1.7031	217.942451598342
Cond-013127	NSC97920	97920	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	13.6662456594766	N1c2c3c(cccc3NC31CCC1(Nc4c5c(N1)cccc5ccc4)CC3)ccc2	InChI=1S/C26H24N4/c1-5-17-6-2-10-20-23(17)19(9-1)27-25(28-20)13-15-26(16-14-25)29-21-11-3-7-18-8-4-12-22(30-26)24(18)21/h1-12,27-30H,13-16H2	C26H24N4	392.496	4	4	48.12	7	0	1	-2.7936	8.13487	3.88	6.868	29.4476	127.0458	2.981	345.779301892402
Cond-013128	NSC97920	97920	5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	NA	N1c2c3c(cccc3NC31CCC1(Nc4c5c(N1)cccc5ccc4)CC3)ccc2	InChI=1S/C26H24N4/c1-5-17-6-2-10-20-23(17)19(9-1)27-25(28-20)13-15-26(16-14-25)29-21-11-3-7-18-8-4-12-22(30-26)24(18)21/h1-12,27-30H,13-16H2	C26H24N4	392.496	4	4	48.12	7	0	1	-2.7936	8.13487	3.88	6.868	29.4476	127.0458	2.981	345.779301892402
Cond-013129	NSC98026	98026	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	94.0334683929101	O=C1C(=C(OCC(=O)O)C(=O)c2c1cccc2)CC=C(C)C	InChI=1S/C17H16O5/c1-10(2)7-8-13-15(20)11-5-3-4-6-12(11)16(21)17(13)22-9-14(18)19/h3-7H,8-9H2,1-2H3,(H,18,19)	C17H16O5	300.306	5	1	80.67	2	5	0	0.5795	2.86347	2.78	3.205	57.3759	82.4678000000001	2.2362	289.83474383534
Cond-013130	NSC98049	98049	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.2154660679296	O=c1n(c(Cl)c(c(=O)n1C)NC(=O)OCC)C	InChI=1S/C9H12ClN3O4/c1-4-17-8(15)11-5-6(10)12(2)9(16)13(3)7(5)14/h4H2,1-3H3,(H,11,15)	C9H12ClN3O4	261.662	7	1	78.95	1	4	0	0.238	0.18838	1.57	0.643	58.8842	61.5497	1.7527	224.680282026778
Cond-013131	NSC98363	98363	0.5-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	S1S/C(=C(/C#N)\C(=O)OCC)/S/C/1=C(/C(=O)OCC)\C#N	InChI=1S/C12H10N2O4S3/c1-3-17-9(15)7(5-13)11-19-12(21-20-11)8(6-14)10(16)18-4-2/h3-4H2,1-2H3/b11-7-,12-8-	C12H10N2O4S3	342.414	6	0	176.08	1	6	0	2.9274	2.62975	1.79	1.219	82.6207	82.295	2.2717	295.341645295378
Cond-013132	NSC98363	98363	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	8.52163955693956	S1S/C(=C(/C#N)\C(=O)OCC)/S/C/1=C(/C(=O)OCC)\C#N	InChI=1S/C12H10N2O4S3/c1-3-17-9(15)7(5-13)11-19-12(21-20-11)8(6-14)10(16)18-4-2/h3-4H2,1-2H3/b11-7-,12-8-	C12H10N2O4S3	342.414	6	0	176.08	1	6	0	2.9274	2.62975	1.79	1.219	82.6207	82.295	2.2717	295.341645295378
Cond-013133	NSC9852	9852	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	107.706209177181	[nH]1c2cccc(c2c2c1cc(cc2)N(=O)=O)CC	InChI=1S/C14H12N2O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(16(17)18)8-13(11)15-12/h3-8,15H,2H2,1H3	C14H12N2O2	240.257	4	1	58.93	3	2	0	0.5466	4.13588	2.56	4.646	17.5405	76.293	1.7714	202.049630272389
Cond-013134	NSC98683	98683	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.464889104744	O=c1[nH]c(=O)n2c([nH]nc2C)c1N(=O)=O	InChI=1S/C6H5N5O4/c1-2-8-9-4-3(11(14)15)5(12)7-6(13)10(2)4/h9H,1H3,(H,7,12,13)	C6H5N5O4	211.135	9	2	116.94	2	1	0	-0.4366	-1.16263	1.13	1.992	41.3842	51.3044	1.2556	164.581863393478
Cond-013135	NSC98857	98857	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	40.006502254474	c1cc2c3ccccc3c(=S)[nH]c2cc1	InChI=1S/C13H9NS/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)	C13H9NS	211.282	1	1	44.12	3	0	0	0.2643	3.503	2.67	4.68	15.4324	68.0847	1.5768	185.585456094834
Cond-013136	NSC98938	98938	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	FALSE	FALSE	12.1216201798664	c1c(c(ccc1)O)/C=C/C(=O)/C=C/c1ccccc1OC	InChI=1S/C18H16O3/c1-21-18-9-5-3-7-15(18)11-13-16(19)12-10-14-6-2-4-8-17(14)20/h2-13,20H,1H3	C18H16O3	280.318	3	1	46.53	2	5	0	-0.0536999999999997	3.56497	3.11	4.593	35.7134	85.2948000000001	2.2167	276.013816359284
Cond-013137	NSC98938	98938	1-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	NA	c1c(c(ccc1)O)/C=C/C(=O)/C=C/c1ccccc1OC	InChI=1S/C18H16O3/c1-21-18-9-5-3-7-15(18)11-13-16(19)12-10-14-6-2-4-8-17(14)20/h2-13,20H,1H3	C18H16O3	280.318	3	1	46.53	2	5	0	-0.0536999999999997	3.56497	3.11	4.593	35.7134	85.2948000000001	2.2167	276.013816359284
Cond-013138	NSC99634	99634	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	98.2478037479931	c1(ccc(cc1NS(=O)(=O)c1ccc(cc1)C)N(=O)=O)OC	InChI=1S/C14H14N2O5S/c1-10-3-6-12(7-4-10)22(19,20)15-13-9-11(16(17)18)5-8-14(13)21-2/h3-9,15H,1-2H3	C14H14N2O5S	322.336	7	1	106.92	2	5	0	0.3138	3.86779	2.12	3.579	27.8495	81.2787	2.2196	270.185793132473
Cond-013139	NSC99657	99657	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.600157149898	O=c1n(c(=S)c2[nH]c(nc2n1C)SCCN1CCCC1)C	InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)	C13H19N5OS2	325.453	6	1	112.86	3	4	0	0.00630000000000186	1.82307	2.01	0.468	72.9319	92.999	2.3272	275.681123788062
Cond-013140	NSC99660	99660	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	103.782075734654	O=c1n(c(=S)c2[nH]c(nc2n1C)SC1CCCN(C1)CC)C	InChI=1S/C14H21N5OS2/c1-4-19-7-5-6-9(8-19)22-13-15-10-11(16-13)17(2)14(20)18(3)12(10)21/h9H,4-8H2,1-3H3,(H,15,16)	C14H21N5OS2	339.479	6	1	112.86	3	3	0	0.285400000000003	2.21157	2.12	0.765	76.8959	97.594	2.4681	292.977108413929
Cond-013141	NSC99663	99663	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	112.508187895683	S=c1n(c(=O)c2[nH]c(nc2n1C)SCc1ncccc1)C	InChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,15,16)	C13H13N5OS2	319.405	6	1	122.51	3	3	0	0.534299999999999	1.91578	2.01	2.605	50.0741	90.526	2.1982	256.871747685662
Cond-013142	NSC99756	99756	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	99.5556372382907	C1=C(C(=C/C/1=C\N(=O)=O)NC(=O)C)O	InChI=1S/C8H8N2O4/c1-5(11)9-7-2-6(3-8(7)12)4-10(13)14/h2-4,12H,1H3,(H,9,11)/b6-4+	C8H8N2O4	196.16	6	2	92.47	1	3	0	-0.843	0.49396	1.68	0.554	46.698	51.9955	1.3466	178.540010721511
Cond-013143	NSC99796	99796	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	TRUE	52.8120913564816	o1c2C(=O)c3occc3C(=O)c2c(=O)cc1C	InChI=1S/C12H6O5/c1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5/h2-4H,1H3	C12H6O5	230.173	5	0	73.58	3	0	0	-0.9204	1.50207	2.23	0.284	43.0061	56.947	1.4661	193.634820706006
Cond-013144	NSC99867	99867	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	110.675506532908	N1(CCCCC1)c1nc(N2CCCCC2)n2c(n1)nnc2c1ccccc1	InChI=1S/C20H25N7/c1-4-10-16(11-5-1)17-23-24-19-21-18(25-12-6-2-7-13-25)22-20(27(17)19)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-15H2	C20H25N7	363.459	7	0	62.45	5	3	1	-1.642	4.83606000000001	2.89	5.095	45.0124	111.189	2.7812	318.515968265702
Cond-013145	NSC99925	99925	100-uM	NCI-STRUCT-DIV	NCI-STRUCT-DIV	TRUE	TRUE	FALSE	100.594324675309	O1C(OCC2OC(C(C(=O)C12)NC(=O)c1ccccc1)OC)c1ccccc1	InChI=1S/C21H21NO6/c1-25-21-16(22-19(24)13-8-4-2-5-9-13)17(23)18-15(27-21)12-26-20(28-18)14-10-6-3-7-11-14/h2-11,15-16,18,20-21H,12H2,1H3,(H,22,24)	C21H21NO6	383.395	7	1	83.09	4	5	0	-1.5013	1.46689	3	4.523	46.0713	100.6247	2.7411	343.192751845935
Cond-013146	CPD000010931	CPD000010931	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	60.7765782865092	CCOC(=O)c1cncn1C(C)c1ccccc1	InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3	C14H16N2O2	244.289	4	0	44.12	2	5	0	0.2757	3.08069	2.56	3.867	28.4768	71.84	1.923	227.942547673989
Cond-013147	CPD000012114	CPD000012114	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.367268836526	Clc1ccc(cc1)C(=O)NCCN1CCOCC1	InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)	C13H17ClN2O2	268.739	4	1	41.57	2	5	0	0.0381999999999993	1.37039	2.34	1.372	45.8474	74.0657	1.9905	242.030548220156
Cond-013148	CPD000035778	CPD000035778	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.875000679089	NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)	C7H8ClN3O4S2	297.739	7	4	135.12	2	1	0	-1.5436	1.24339	1.13	-1.263	35.4327	57.3768	1.7323	206.486360890245
Cond-013149	CPD000035998	CPD000035998	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.666314358128	CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3	C13H18N4O3	278.307	7	0	75.51	2	5	0	-1.3169	1.56498	2.12	-0.104	55.0305	76.638	2.0834	254.966768865817
Cond-013150	CPD000035999	CPD000035999	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.84895391521	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	C14H18N4O3	290.318	7	4	105.51	2	5	0	-1.199	1.93509	2.23	0.394	34.9926	81.0878	2.1813	258.726294790884
Cond-013151	CPD000036662	CPD000036662	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.138146511317	NC(=O)c1cnccn1	InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)	C5H5N3O	123.113	4	2	68.87	1	1	0	-0.6348	-0.45611	1.57	-1.099	7.4415	33.5714	0.8906	103.014595651195
Cond-013152	CPD000036734	CPD000036734	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	10.2754322224608	COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	C16H13N3O3	295.293	6	2	84.08	3	5	0	-0.6659	3.09357	2.56	4.282	23.1355	86.5662	2.1257	251.155669031251
Cond-013153	CPD000036734	CPD000036734	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	90.5272833770653	COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	C16H13N3O3	295.293	6	2	84.08	3	5	0	-0.6659	3.09357	2.56	4.282	23.1355	86.5662	2.1257	251.155669031251
Cond-013154	CPD000036735	CPD000036735	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	81.3629574986333	CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1	InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)	C12H15N3O2S	265.331	5	2	92.31	2	6	0	-0.0366000000000004	3.36467	2.12	3.117	39.1055	77.7067	1.9475	225.492821388823
Cond-013155	CPD000036768	CPD000036768	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.0577314132559	CC(C)NCC(O)COc1ccc(CC(=O)N)cc1	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)	C14H22N2O3	266.336	5	4	84.58	1	8	0	-1.6098	0.685990000000001	2.45	0.678	47.492	77.2239	2.1763	265.26215047695
Cond-013156	CPD000036827	CPD000036827	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	71.3597989840303	CNCCCN1c2ccccc2CCc2ccccc12.Cl	InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H	C18H23ClN2	302.842	2	1	15.27	3	4	1	-0.444899999999999	3.67928	3.22	5.005	33.9615	85.4417000000001	2.2606	267.189574075534
Cond-013157	CPD000037139	CPD000037139	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.7109331526154	O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1	InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2	C19H24N2O2	312.406	4	0	40.62	4	2	0	-1.7405	2.42769	3.11	3.651	57.9791	90.2200000000001	2.4533	303.246012102524
Cond-013158	CPD000037657	CPD000037657	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.12989811317	Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C	InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3	C11H13N3O3S	267.304	6	3	106.6	2	3	0	-0.759	2.74223	1.9	1.458	28.2174	62.9581	1.8653	216.987063463517
Cond-013159	CPD000038082	CPD000038082	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	14.5052083050379	Oc1ncc(F)c(O)n1	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	C4H3FN2O2	130.077	4	2	66.24	1	0	0	-0.4409	0.0931799999999998	1.35	-0.503	6.0017	28.4956	0.7693	92.2160950688288
Cond-013160	CPD000038082	CPD000038082	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.8226187319723	Oc1ncc(F)c(O)n1	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	C4H3FN2O2	130.077	4	2	66.24	1	0	0	-0.4409	0.0931799999999998	1.35	-0.503	6.0017	28.4956	0.7693	92.2160950688288
Cond-013161	CPD000040181	CPD000040181	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.380203745438	CC(C(=O)O)c1cccc(c1)C(=O)c1ccccc1	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	C16H14O3	254.281	3	1	54.37	2	4	0	-0.2088	3.33959	2.89	4.988	21.9194	75.6103000000001	1.9779	244.05830580835
Cond-013162	CPD000042823	CPD000042823	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.3164864346957	CC(C(=O)O)c1ccc(c(F)c1)c1ccccc1	InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	C15H13FO2	244.261	2	1	37.3	2	3	1	0.5347	3.96309	2.78	5.507	17.4459	72.0138	1.839	226.676112033029
Cond-013163	CPD000043336	CPD000043336	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	39.4174580632931	COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(cn(C3CC3)c12)C(=O)O	InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)	C19H22FN3O4	375.394	7	2	82.11	4	4	0	-1.3092	2.95396	2.67	2.004	70.8441	103.638	2.6452	335.254325861319
Cond-013164	CPD000046147	CPD000046147	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.934370503486	CCC(CO)NCCNC(CC)CO	InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3	C10H24N2O2	204.31	4	4	64.52	0	9	0	-2.2892	-0.2926	2.12	-0.344	54.9944	58.335	1.8346	221.090278776922
Cond-013165	CPD000048458	CPD000048458	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.84966795544	Cc1ccnc2n(C3CC3)c3ncccc3c(=O)[nH]c12	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	C15H14N4O	266.298	5	1	58.12	4	1	0	-0.606	3.5211	2.56	2.153	25.0627	79.1827	1.9446	231.092449913228
Cond-013166	CPD000048468	CPD000048468	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.9575783925325	Clc1ccccc1CN1CCc2sccc2C1.Cl	InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H	C14H15Cl2NS	300.247	1	0	31.48	3	2	0	1.0949	2.73839	2.67	4.08	33.3553	68.629	1.9261	223.365425892734
Cond-013167	CPD000048684	CPD000048684	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.096257321866	NC(=O)N1c2ccccc2CC(=O)c2ccccc12	InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)	C15H12N2O2	252.268	4	2	63.4	3	1	0	-0.8567	2.76728	2.67	2.871	19.8378	75.9189	1.8693	227.609156197456
Cond-013168	CPD000057879	CPD000057879	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.874901029276	O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1.Cl	InChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m1./s1	C17H26ClNO	295.847	2	1	23.47	3	2	0	-2.5588	3.1695	3.11	4.929	41.9552	78.2528000000001	2.2076	266.496432044462
Cond-013169	CPD000058170	CPD000058170	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	82.6515479461738	c1nc(cs1)c1nc2ccccc2[nH]1	InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)	C10H7N3S	201.248	3	1	69.81	3	1	0	0.1702	3.06328	2.12	2.389	11.0935	60.6	1.3967	147.427481334367
Cond-013170	CPD000058173	CPD000058173	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.591756498037	CC(=O)NS(=O)(=O)c1ccc(N)cc1	InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)	C8H10N2O3S	214.242	5	3	97.64	1	3	0	-1.8	0.84138	1.68	0.126	25.7296	50.7961	1.4944	179.99526677935
Cond-013171	CPD000058175	CPD000058175	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.261865063509	Cc1ncc(N(=O)=O)n1CCO	InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3	C6H9N3O3	171.154	6	1	81.19	1	3	0	0.2875	1.0976	1.46	0.0169999999999999	24.6757	44.9378	1.1919	140.527492378984
Cond-013172	CPD000058180	CPD000058180	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.695312215025	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1	InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2	C21H26ClN3OS	403.969	4	1	55.25	4	6	0	0.719	3.90288000000001	3.11	3.391	65.2769	109.6818	3.0191	360.228147989097
Cond-013173	CPD000058180	CPD000058180	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	86.8124059681412	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1	InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2	C21H26ClN3OS	403.969	4	1	55.25	4	6	0	0.719	3.90288000000001	3.11	3.391	65.2769	109.6818	3.0191	360.228147989097
Cond-013174	CPD000058181	CPD000058181	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.9298974642783	CN(C)c1nc(nc(n1)N(C)C)N(C)C	InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3	C9H18N6	210.279	6	0	48.39	1	3	0	0.653399999999999	1.28517	1.79	0.285	42.8742	65.931	1.7379	199.0350467794
Cond-013175	CPD000058184	CPD000058184	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	80.9374956829319	CC(C)Cc1ccc(cc1)C(C)C(=O)O	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	C13H18O2	206.281	2	1	37.3	1	4	1	0.949099999999999	3.30709	2.67	5.342	35.5958	64.2778	1.7771	217.182418734189
Cond-013176	CPD000058186	CPD000058186	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	91.0819978756173	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1.Cl	InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H	C21H32ClN5O2	421.964	7	0	69.64	4	6	0	-1.9897	2.84918	3	2.154	79.5483	110.441	3.0345	370.828261978758
Cond-013177	CPD000058187	CPD000058187	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	18.8932286795817	CC(C)C(=O)Nc1ccc(N(=O)=O)c(c1)C(F)(F)F	InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)	C11H11F3N2O3	276.212	5	1	72.24	1	5	0	1.8577	4.17658	1.79	3.589	32.8527	67.5227	1.7637	228.94041444947
Cond-013178	CPD000058188	CPD000058188	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	39.973959444938	Cc1cccc(Nc2ccccc2C(=O)O)c1C	InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	C15H15NO2	241.285	3	2	49.33	2	3	1	0.6238	3.80763	2.78	5.011	21.5235	73.9365000000001	1.9211	231.605313390889
Cond-013179	CPD000058189	CPD000058189	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.719230880263	CCN(CC)CC(=O)Nc1c(C)cccc1C	InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)	C14H22N2O	234.337	3	1	32.34	1	6	0	1.166	2.91163	2.67	2.848	45.8867	73.8917	2.0589	247.681697075828
Cond-013180	CPD000058192	CPD000058192	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.768231686978	CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(cn1c23)C(=O)O	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	C18H20FN3O4	361.368	7	1	73.32	4	2	0	-0.226	2.51756	2.56	1.49	70.6454	99.0533000000001	2.5043	317.958341235453
Cond-013181	CPD000058194	CPD000058194	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.047179814313	CCS(=O)(=O)CCn1c(C)ncc1N(=O)=O	InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3	C8H13N3O4S	247.272	7	0	103.48	1	5	0	0.675299999999999	2.6208	1.46	0.899	40.7432	62.224	1.6959	202.418712388878
Cond-013182	CPD000058202	CPD000058202	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.906245464653	NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl	InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)	C12H11ClN2O5S	330.744	7	4	131.01	2	5	0	-0.9949	1.45239	1.79	0.884	33.6078	75.1009	2.1032	253.441350351973
Cond-013183	CPD000058206	CPD000058206	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.822014903773	Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	C14H12O3	228.243	3	3	60.69	2	2	0	-0.9131	3.05278	2.67	3.436	18.0124	67.3716	1.7391	212.102795257417
Cond-013184	CPD000058212	CPD000058212	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.100017062137	NC(=O)c1cccnc1	InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	C6H6N2O	122.125	3	2	55.98	1	1	0	-0.6348	0.14889	1.79	-0.0910000000000004	7.4415	35.7764	0.931700000000001	109.313820068895
Cond-013185	CPD000058219	CPD000058219	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.458333947748	C1CN=C(N1)C1CCCc2ccccc12.Cl	InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H	C13H17ClN2	236.74	2	1	24.39	3	1	0	-0.7923	2.00589	2.67	3.975	33.7866	63.2407	1.6421	196.8825683478
Cond-013186	CPD000058223	CPD000058223	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.367010064804	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1	InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)	C10H11N3O3S	253.278	6	3	106.6	2	3	0	-1.401	2.1804	1.79	1.346	22.7153	60.1741	1.7244	199.69107883765
Cond-013187	CPD000058224	CPD000058224	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.5723299961679	OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)	C11H12Cl2N2O5	323.129	7	3	112.7	1	7	0	0.2205	0.66079	1.68	1.179	43.3689	76.9053	2.0728	258.740326840539
Cond-013188	CPD000058225	CPD000058225	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.313653996712	Nc1nc(O)c2ncn(COCCO)c2n1	InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)	C8H11N5O3	225.205	8	4	119.31	2	4	0	-1.7827	0.38187	1.46	-1.655	27.5267	59.4902	1.5217	171.22006464545
Cond-013189	CPD000058229	CPD000058229	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.6000034214296	COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)	C23H28ClN3O5S	494.004	8	3	121.98	3	11	1	-2.2184	3.75358	2.89	4.794	66.077	124.7596	3.5583	437.064565342275
Cond-013190	CPD000058230	CPD000058230	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.5546905983453	CN(C)CC/C=C/1\c2ccccc2COc2ccccc12.Cl	InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;	C19H22ClNO	315.837	2	0	12.47	3	3	1	0.0710999999999987	3.94098	3.33	5.105	37.345	87.7090000000001	2.3174	279.642566492996
Cond-013191	CPD000058245	CPD000058245	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	10.1953123120378	C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	C20H28O2	300.435	2	1	37.3	1	5	1	3.8871	5.46744000000001	3.44	6.254	96.6302	95.6548000000001	2.6774	343.881393713657
Cond-013192	CPD000058245	CPD000058245	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.4153522618402	C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	C20H28O2	300.435	2	1	37.3	1	5	1	3.8871	5.46744000000001	3.44	6.254	96.6302	95.6548000000001	2.6774	343.881393713657
Cond-013193	CPD000058250	CPD000058250	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.536692533212	N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c1ccccc1	InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1	C15H14ClN3O4S	367.807	7	4	138.03	3	5	0	-1.4494	0.44028	2.12	-0.360000000000001	63.0157	91.1029	2.4154	303.442920335579
Cond-013194	CPD000058253	CPD000058253	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.035828307756	Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1	InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	C9H13N3O3	211.218	6	3	88.15	2	2	0	-2.4961	-0.78783	1.79	-0.991	46.7209	56.3772	1.506	190.958987555784
Cond-013195	CPD000058254	CPD000058254	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.21237123675929	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12.Cl	InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H	C17H20Cl2N2S	355.325	2	0	31.78	3	4	0	1.3011	5.42149	2.89	4.457	42.9345	92.618	2.4056	283.613681277701
Cond-013196	CPD000058254	CPD000058254	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.0920463666663	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12.Cl	InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H	C17H20Cl2N2S	355.325	2	0	31.78	3	4	0	1.3011	5.42149	2.89	4.457	42.9345	92.618	2.4056	283.613681277701
Cond-013197	CPD000058255	CPD000058255	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	12.5514577035998	CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc23)CC1	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3	C22H23ClN2O2	382.883	4	0	42.43	4	3	0	1.7488	4.30308	3.33	4.263	60.3361	108.74	2.8694	351.535657648158
Cond-013198	CPD000058264	CPD000058264	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	71.419270398797	CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12	InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	C12H12N2O3	232.235	5	1	70.5	2	2	0	0.053	2.24779	2.23	2.507	39.5265	65.6503	1.6999	213.040805122817
Cond-013199	CPD000058266	CPD000058266	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.668866437392	O=N(=O)c1cccc2c[nH]nc12	InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	C7H5N3O2	163.134	5	1	71.82	2	1	0	0.2397	1.41009	1.68	1.925	7.19	46.163	1.0795	120.503874201889
Cond-013200	CPD000058267	CPD000058267	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.513017949225	CC(C)NCC(O)c1ccc(O)c(O)c1.Cl	InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H	C11H18ClNO3	247.719	4	4	72.72	1	4	0	-1.7879	1.15869	2.23	0.813	34.2992	59.5113	1.6968	205.013895091984
Cond-013201	CPD000058269	CPD000058269	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.9479157854674	Oc1nc2cc(Cl)ccc2o1	InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)	C7H4ClNO2	169.565	3	1	46.26	2	0	0	0.1299	2.96258	1.79	1.517	9.7993	44.144	1.0453	116.357880256789
Cond-013202	CPD000058271	CPD000058271	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.687501697723	O=N(=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1	InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+	C8H6N4O5	238.157	9	1	118.05	2	3	0	-0.481199999999999	-0.14343	1.35	0.546	32.5062	61.4957	1.4533	183.430840436806
Cond-013203	CPD000058273	CPD000058273	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.8437103659977	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O	InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1	C8H11N3O6	245.189	9	4	131.69	2	2	0	-1.7673	-2.80311	1.35	-1.948	49.8182	54.8731	1.5412	200.0336830316
Cond-013204	CPD000058275	CPD000058275	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.307217436864	CCCc1cc(O)nc(S)n1	InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)	C7H10N2OS	170.232	3	1	84.81	1	2	0	0.0696000000000006	2.60437	1.79	1.853	24.5183	49.445	1.2791	147.755287453161
Cond-013205	CPD000058280	CPD000058280	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.665980873226	CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)	C13H19NO4S	285.359	5	1	83.06	1	7	0	-1.6265	2.11589	2.23	2.308	45.4059	70.3508	2.1578	264.268656401078
Cond-013206	CPD000058284	CPD000058284	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.903644901607	NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F	InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)	C8H8F3N3O4S2	331.292	7	4	135.12	2	2	0	-1.1898	1.3224	1.02	-0.245	36.2517	56.8568	1.8039	226.773954296597
Cond-013207	CPD000058286	CPD000058286	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	57.557186789596	OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1	InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)	C18H15NO3	293.317	4	1	63.33	3	5	1	-0.6471	4.76168	3	6.058	16.2992	89.3838000000001	2.2079	263.754117866651
Cond-013208	CPD000058290	CPD000058290	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.4000048371935	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1	InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)	C14H21N3O3S	311.4	6	2	86.89	2	5	0	-1.5265	1.6054	2.23	3.191	48.0551	77.5264	2.331	282.411476041918
Cond-013209	CPD000058291	CPD000058291	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	22.6329493900589	CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC)c1ccccc1N(=O)=O)/O	InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,20H,1-4H3/b16-13+	C17H18N2O6	346.335	8	1	111.26	2	5	0	1.0199	2.85886	2.45	2.828	62.445	95.7178000000001	2.4945	320.618490952235
Cond-013210	CPD000058292	CPD000058292	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.312496750072	C(C1=NCCN1)c1cccc2ccccc12.Cl	InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H	C14H15ClN2	246.735	2	1	24.39	3	2	1	-0.6428	2.28169	2.78	5.006	22.4854	68.7717	1.697	198.005635572067
Cond-013211	CPD000058295	CPD000058295	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	7.83679299541233	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12.Cl	InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H	C19H24Cl2N2	351.313	2	0	6.48	3	4	1	0.835300000000001	4.67488	3.22	5.129	44.8718	95.0790000000001	2.5239	299.696626471835
Cond-013212	CPD000058295	CPD000058295	10-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	81.9192485178357	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12.Cl	InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H	C19H24Cl2N2	351.313	2	0	6.48	3	4	1	0.835300000000001	4.67488	3.22	5.129	44.8718	95.0790000000001	2.5239	299.696626471835
Cond-013213	CPD000058296	CPD000058296	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	20.8356569454152	CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl	InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H	C25H30ClI2NO3	681.773	4	0	42.68	3	11	2	2.7409	6.77597000000001	3.55	7.777	84.9537	148.336	3.7536	438.01607228905
Cond-013214	CPD000058299	CPD000058299	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	64.3619796254562	CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1	InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3	C20H21ClO4	360.831	4	0	52.6	2	7	1	0.881599999999999	4.64839	3.11	5.285	47.8357	100.283	2.7226	337.243538782813
Cond-013215	CPD000058300	CPD000058300	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.31637386299644	COCCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c1cccc(c1)N(=O)=O)/O	InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,24H,9-10H2,1-5H3/b20-17+	C21H26N2O7	418.44	9	1	120.49	2	9	0	0.8389	3.65406	2.78	3.521	82.9871	115.7488	3.1168	398.592656156263
Cond-013216	CPD000058300	CPD000058300	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.5992505591454	COCCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c1cccc(c1)N(=O)=O)/O	InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,24H,9-10H2,1-5H3/b20-17+	C21H26N2O7	418.44	9	1	120.49	2	9	0	0.8389	3.65406	2.78	3.521	82.9871	115.7488	3.1168	398.592656156263
Cond-013217	CPD000058302	CPD000058302	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.6132879560339	O=N(=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1	InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)	C15H11N3O3	281.266	6	1	84.6	3	2	0	-0.2821	3.07728	2.45	3.501	22.4966	84.0337	1.9848	244.759684405384
Cond-013218	CPD000058306	CPD000058306	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	10.6611778950247	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	C22H17ClN2	344.837	2	0	17.82	4	4	1	0.4726	5.1385	3.55	8.559	10.8166	100.351	2.623	304.245828144635
Cond-013219	CPD000058309	CPD000058309	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.636225141707	COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1	InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)	C19H25N5O4	387.433	9	2	103.04	4	5	0	-2.3043	2.22297	2.56	0.0850000000000002	63.5193	109.5294	2.8271	340.280287427347
Cond-013220	CPD000058310	CPD000058310	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	67.6265614510883	CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1	InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	C17H12Br2O3	424.083	3	1	50.44	3	3	1	0.6627	5.29657	2.78	5.021	35.5382	97.4498	2.3602	276.665069688551
Cond-013221	CPD000058310	CPD000058310	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.26166664524074	CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1	InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	C17H12Br2O3	424.083	3	1	50.44	3	3	1	0.6627	5.29657	2.78	5.021	35.5382	97.4498	2.3602	276.665069688551
Cond-013222	CPD000058313	CPD000058313	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.556272949998	N[C@@H]1CONC1=O	InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1	C3H6N2O2	102.092	4	3	64.35	1	0	0	-1.6843	-1.39101	1.35	-0.915	21.3177	25.3131	0.6967	85.0254689942557
Cond-013223	CPD000058318	CPD000058318	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.731701732541	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1	C21H30O4	346.46	4	2	74.6	4	2	0	-0.521099999999998	2.82678	3.33	1.704	95.1207	96.6556000000001	2.7389	349.597831740647
Cond-013224	CPD000058319	CPD000058319	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.44324968644717	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1	C20H24O2	296.403	2	2	40.46	4	0	0	0.6041	3.69219000000001	3.44	4.667	60.8056	85.8616000000001	2.3946	298.548476312057
Cond-013225	CPD000058319	CPD000058319	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.0917804923965	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1	C20H24O2	296.403	2	2	40.46	4	0	0	0.6041	3.69219000000001	3.44	4.667	60.8056	85.8616000000001	2.3946	298.548476312057
Cond-013226	CPD000058321	CPD000058321	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.7991790067115	C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	C22H27NO2	337.455	3	1	46.26	5	0	0	1.9109	4.11788000000001	3.55	4.472	81.6822	94.6458000000001	2.6676	331.780747071158
Cond-013227	CPD000058321	CPD000058321	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.77319651826281	C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	C22H27NO2	337.455	3	1	46.26	5	0	0	1.9109	4.11788000000001	3.55	4.472	81.6822	94.6458000000001	2.6676	331.780747071158
Cond-013228	CPD000058324	CPD000058324	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.673977718137	Nc1nc(O)c2ncn(COC(CO)CO)c2n1	InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)	C9H13N5O4	255.231	9	5	139.54	2	5	0	-2.2934	-0.25723	1.46	-2.327	33.4892	65.497	1.7213	197.306275971878
Cond-013229	CPD000058326	CPD000058326	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.382812069506	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C	InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1	C23H30O6	402.481	6	2	100.9	4	4	0	-0.478600000000003	2.21467	3.33	1.332	106.3471	107.2986	3.0521	396.497336991902
Cond-013230	CPD000058328	CPD000058328	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.686603048395	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O	InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1	C25H34O8	462.533	8	3	138.2	4	7	0	-0.922599999999999	2.35738	3.33	0.234	116.4115	118.8584	3.4513	448.669759644758
Cond-013231	CPD000058329	CPD000058329	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.938146747277	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1	C24H30F2O6	452.488	6	2	93.06	5	2	0	-0.293000000000004	2.45307	3.22	1.153	109.9209	111.5806	3.1628	416.208439318382
Cond-013232	CPD000058330	CPD000058330	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.245570106301	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1	C22H30O5	374.471	5	3	94.83	4	2	0	-0.979899999999998	1.88987	3.33	1.525	101.2791	102.2984	2.8955	373.047584366275
Cond-013233	CPD000058331	CPD000058331	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.064003162419	CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C	InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1	C26H32F2O7	494.525	7	1	99.13	5	4	0	0.0860999999999972	3.02387	3.33	1.893	119.0724	121.1278	3.4603	456.954176569876
Cond-013234	CPD000058334	CPD000058334	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.378997688054	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1	C21H28O5	360.444	5	2	91.67	4	2	0	-1.0127	2.14988	3.22	0.14	95.4827	97.1156000000001	2.7546	355.751599740408
Cond-013235	CPD000058335	CPD000058335	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.220619874553	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1	C24H31FO6	434.498	6	2	93.06	5	2	0	-0.659900000000003	2.50507	3.33	1.224	110.5159	111.3016	3.1451	410.140880468076
Cond-013236	CPD000058337	CPD000058337	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	60.3622410998226	CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1	C25H34O6	430.534	6	2	93.06	5	4	0	-1.4041	2.80307	3.55	1.914	111.7147	115.5696	3.2683	421.369306243636
Cond-013237	CPD000058344	CPD000058344	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	16.7174288012018	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	C19H28O2	288.424	2	1	37.3	4	0	0	0.261499999999999	4.03928000000001	3.33	3.635	81.9381	85.6898000000001	2.3827	300.06186778859
Cond-013238	CPD000058345	CPD000058345	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	9.50180641680572	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	C21H30O2	314.462	2	0	34.14	4	1	0	0.917199999999998	4.88358000000001	3.55	4.826	91.9078	93.8540000000001	2.6215	332.017378339524
Cond-013239	CPD000058345	CPD000058345	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.7216150354551	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	C21H30O2	314.462	2	0	34.14	4	1	0	0.917199999999998	4.88358000000001	3.55	4.826	91.9078	93.8540000000001	2.6215	332.017378339524
Cond-013240	CPD000058346	CPD000058346	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	31.7319600947264	CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C	InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1	C23H32O3	356.498	3	1	46.53	4	5	1	-0.5906	5.58419000000001	3.66	6.777	72.5943	105.3718	2.919	361.863115591019
Cond-013241	CPD000058350	CPD000058350	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.657091235829	Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1	C10H12N2O4	224.213	6	2	78.87	2	2	0	-0.411200000000001	-0.19833	1.9	-0.718	54.5163	56.7245	1.5628	203.411979973245
Cond-013242	CPD000058351	CPD000058351	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.193590508566	Cc1cn([C@H]2C[C@H](N=N#N)[C@@H](CO)O2)c(=O)[nH]c1=O	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	C10H13N5O4	267.241	9	2	91.23	2	3	0	-3.796	-0.61491	1.57	-0.861	55.4138	60.9375	1.8192	233.765801896945
Cond-013243	CPD000058353	CPD000058353	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.015037941688	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl	InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H	C17H22ClNO	291.816	2	0	12.47	2	6	1	0.0364999999999996	2.9964	3.11	5.726	28.7328	77.528	2.1872	260.043514642862
Cond-013244	CPD000058355	CPD000058355	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.472100959759	Brc1c(NC2=NCCN2)ccc2nccnc12	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)	C11H10BrN5	292.135	5	2	62.2	3	2	0	0.2183	2.57378	2.01	1.648	29.0364	73.2474	1.7487	198.391581296534
Cond-013245	CPD000058356	CPD000058356	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	10.2083333656709	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	C13H6Cl6O2	406.904	2	2	40.46	2	2	0	4.0014	6.8467	2.01	3.768	43.4238	90.7438	2.3169	279.919449254389
Cond-013246	CPD000058363	CPD000058363	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.898968330835	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)	C12H18N2O3S	270.348	5	2	83.65	1	7	0	-0.924	1.6145	2.12	2.68	40.5204	67.2604	2.058	249.179205282817
Cond-013247	CPD000058364	CPD000058364	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.231773745737	CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1	InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)	C10H13ClN2O3S	276.74	5	2	83.65	1	6	0	-0.5337	1.84978	1.79	1.673	37.7223	64.0134	1.8986	229.798303801517
Cond-013248	CPD000058365	CPD000058365	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	36.8873804088034	CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	C18H19ClN4	326.823	4	1	30.87	4	1	0	0.00919999999999976	4.22048	2.89	4.323	45.0577	97.5017	2.431	289.401244860701
Cond-013249	CPD000058366	CPD000058366	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.57422077762294	CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC)c1cccc(c1)N(=O)=O)/O	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,22H,5H2,1-4H3/b18-15+	C18H20N2O6	360.361	8	1	111.26	2	6	0	1.2703	3.24896	2.56	3.251	66.7388	100.3348	2.6354	337.914475578102
Cond-013250	CPD000058366	CPD000058366	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	92.8111704090535	CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC)c1cccc(c1)N(=O)=O)/O	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,22H,5H2,1-4H3/b18-15+	C18H20N2O6	360.361	8	1	111.26	2	6	0	1.2703	3.24896	2.56	3.251	66.7388	100.3348	2.6354	337.914475578102
Cond-013251	CPD000058368	CPD000058368	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	53.7239592509124	CN(C)CCC=C1c2ccccc2CCc2ccccc12.Cl	InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H	C20H24ClN	313.864	1	0	3.24	3	3	1	0.338399999999999	3.93118	3.55	8.275	40.7445	89.2140000000001	2.3996	288.148324418301
Cond-013252	CPD000058372	CPD000058372	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	96.2350510319002	OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl	InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)	C14H19Cl2NO2	304.212	3	1	40.54	1	9	0	1.1176	3.61179	2.45	4.292	52.5235	83.9118	2.2626	275.897299109089
Cond-013253	CPD000058373	CPD000058373	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.872550246306	COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC	InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+	C18H17NO5	327.331	6	2	84.86	2	7	0	-0.6171	2.83958	2.78	3.749	39.5359	92.5705000000001	2.4339	304.591029968573
Cond-013254	CPD000058375	CPD000058375	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.7814487139013	COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(=O)C.Cl	InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1	C22H27ClN2O4S	450.979	6	0	84.38	3	7	0	-0.1437	3.78838	3.11	3.64	64.7034	117.384	3.1365	384.770526037247
Cond-013255	CPD000058376	CPD000058376	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.430355623249	Cn1ccnc1S	InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	C4H6N2S	114.169	2	0	56.62	1	0	0	0.6265	1.51918	1.57	0.553	17.2863	32.542	0.8407	89.7135655758001
Cond-013256	CPD000058379	CPD000058379	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	51.3020820802518	CC(CN1c2ccccc2Sc2ccccc12)N(C)C.Cl	InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H	C17H21ClN2S	320.88	2	0	31.78	3	3	0	0.834099999999999	4.76649	3	4.463	38.9917	87.586	2.2832	268.402613507268
Cond-013257	CPD000058380	CPD000058380	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.31134014274834	CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1.Cl	InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H	C21H27ClN2S2	407.035	2	0	57.08	4	4	1	0.232999999999999	6.41269000000001	3.33	5.629	57.2451	111.104	2.9017	343.739117367535
Cond-013258	CPD000058380	CPD000058380	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.9827743544948	CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1.Cl	InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H	C21H27ClN2S2	407.035	2	0	57.08	4	4	1	0.232999999999999	6.41269000000001	3.33	5.629	57.2451	111.104	2.9017	343.739117367535
Cond-013259	CPD000058382	CPD000058382	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	96.8489554674145	OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO	InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2	C24H40N8O4	504.626	12	4	145.44	4	12	2	-3.3772	1.72506000000001	2.78	-0.778	95.8664	143.5722	3.87399999999999	462.386949881981
Cond-013260	CPD000058383	CPD000058383	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.00292206701	NCC(O)c1ccc(O)c(O)c1.Cl	InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H	C8H12ClNO3	205.639	4	5	86.71	1	2	0	-2.1696	0.11939	1.9	-0.46	20.026	45.427	1.2741	153.125941214384
Cond-013261	CPD000058388	CPD000058388	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	78.259796521291	CN(C)CCCN1c2ccccc2CCc2ccccc12.Cl	InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H	C19H25ClN2	316.868	2	0	6.48	3	4	1	0.0910000000000007	4.02148	3.33	5.244	39.2562	90.0690000000001	2.4015	284.485558701401
Cond-013262	CPD000058392	CPD000058392	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	103.97768909963	CC1=NS(=O)(=O)c2cc(Cl)ccc2N1	InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)	C8H7ClN2O2S	230.671	4	1	66.91	2	0	0	-0.7938	2.88427	1.68	1.424	28.1802	52.1237	1.4495	174.059649148422
Cond-013263	CPD000058393	CPD000058393	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	32.0288649692509	Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1	InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)	C15H22O3	250.333	3	1	46.53	1	6	0	1.5903	3.80183	2.78	3.748	45.9565	75.4378000000001	2.1176	260.564614686484
Cond-013264	CPD000058394	CPD000058394	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.156251091394	CC(=O)Nc1nnc(s1)S(=O)(=O)N	InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	C4H6N4O3S2	222.245	7	3	151.66	1	3	0	-0.9708	0.33507	0.91	-1.528	31.801	44.7001	1.3369	153.950331450617
Cond-013265	CPD000058398	CPD000058398	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	53.1186367333995	CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	C16H13ClN2O	284.74	3	0	32.67	3	1	0	-0.0956000000000001	3.91478	2.78	3.852	29.9189	85.477	2.0739	251.325981893195
Cond-013266	CPD000058403	CPD000058403	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	16.1588539827466	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1	C24H40O4	392.572	4	3	77.76	4	4	1	0.106699999999992	4.71179000000001	3.66	6.178	104.1515	111.8904	3.2476	406.758703019847
Cond-013267	CPD000058410	CPD000058410	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.457596144228	OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O	InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)	C15H10Cl2N2O2	321.158	4	2	61.69	3	1	0	0.4255	3.93528	2.45	3.881	31.0362	86.6655	2.1141	258.031291738323
Cond-013268	CPD000058411	CPD000058411	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.32547755537835	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl	InChI=1S/C22H26F3N3OS.ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;/h1-2,4-7,16,29H,3,8-15H2;1H	C22H27ClF3N3OS	473.982	4	1	55.25	4	7	0	1.0728	4.49409	3	4.409	66.0959	113.2438	3.0907	380.515741395449
Cond-013269	CPD000058411	CPD000058411	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.8091403039413	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl	InChI=1S/C22H26F3N3OS.ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;/h1-2,4-7,16,29H,3,8-15H2;1H	C22H27ClF3N3OS	473.982	4	1	55.25	4	7	0	1.0728	4.49409	3	4.409	66.0959	113.2438	3.0907	380.515741395449
Cond-013270	CPD000058416	CPD000058416	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	28.0453605120032	Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1	InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2	C17H16ClN3O	313.781	4	1	36.86	4	1	0	-0.2604	3.82768	2.78	4.069	38.0821	91.4837	2.249	269.898726727229
Cond-013271	CPD000058418	CPD000058418	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.16907564476	CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O	InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)	C17H20N2O5S	364.416	7	4	127.1	2	8	0	-2.2639	3.45768	2.45	2.926	39.7141	94.3579	2.6423	322.073747010074
Cond-013272	CPD000058420	CPD000058420	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.199086841895	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl	InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H	C18H30ClNO3	343.889	4	2	50.72	2	11	1	-0.679999999999999	2.89419	3	2.772	62.703	90.3905000000001	2.5745	313.729328772251
Cond-013273	CPD000058422	CPD000058422	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	35.6041261457488	CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl	InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H	C18H23Cl2NO	340.287	2	0	12.47	2	8	1	0.6507	4.35619	3.11	6.549	38.2781	90.2760000000001	2.4505	292.550567039162
Cond-013274	CPD000058423	CPD000058423	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	123.515795812216	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl	InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H	C13H19Cl2NO	276.202	2	1	29.1	1	4	0	0.987899999999998	3.26769	2.56	3.506	42.9836	71.1547	1.9406	234.600020012228
Cond-013275	CPD000058429	CPD000058429	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.377603958493	NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl	InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)	C7H6ClN3O4S2	295.723	7	3	135.45	2	1	0	-1.8091	1.09357	1.13	-0.728	35.2498	53.4671	1.6893	203.849902189445
Cond-013276	CPD000058431	CPD000058431	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	36.3083346524858	CN1CCC(=C2c3ccccc3C=Cc3ccccc23)CC1.Cl	InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H	C21H22ClN	323.859	1	0	3.24	4	0	1	1.1943	4.22358000000001	3.66	7.962	45.1197	91.649	2.3889	290.451391642568
Cond-013277	CPD000058433	CPD000058433	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.768224702058	CCCC(C)(COC(=O)N)COC(=O)NC(C)C	InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)	C12H24N2O4	260.33	6	3	90.65	0	10	0	0.00529999999999942	1.62069	2.12	2.105	64.0036	71.0241	2.1478	267.989784028178
Cond-013278	CPD000058436	CPD000058436	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.40379639993	CN(C)CCOC(C)(c1ccccc1)c1ccccn1.OC(=O)CCC(=O)O	InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)	C21H28N2O5	388.457	3	0	25.36	2	6	0	0.2415	2.8094	3	4.499	33.3704	81.2350000000001	2.287	271.040274851029
Cond-013279	CPD000058438	CPD000058438	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.683922629117	CC(C)N(CCC(C(=O)N)(c1ccccc1)c1ccccn1)C(C)C.OP(=O)(O)O	InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)	C21H32N3O5P	437.47	4	2	59.22	2	8	1	-0.619799999999998	3.36309	3.33	5.241	52.5146	104.5584	2.9074	348.584514861863
Cond-013280	CPD000058440	CPD000058440	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	82.0182256721859	CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1.Cl	InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H	C19H36ClNO2	345.948	3	0	29.54	2	8	1	-1.1172	4.63609000000001	3.22	5.498	80.1224	94.0830000000001	2.7427	338.408004099157
Cond-013281	CPD000058443	CPD000058443	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.255514788586	CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12	InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)	C17H21NO3	287.354	4	2	62.32	3	4	0	-0.726999999999998	3.19908	2.89	3.204	47.3154	85.4928000000001	2.239	267.903968043984
Cond-013282	CPD000058445	CPD000058445	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	68.2460588056748	O=c1n([se]c2ccccc12)c1ccccc1	InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	C13H9NOSe	274.177	2	0	20.31	3	1	0	-0.6348	2.08698	2.56	4.335	7.4415	68.527	1.6845	198.677570262328
Cond-013283	CPD000058445	CPD000058445	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.7112091276954	O=c1n([se]c2ccccc12)c1ccccc1	InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	C13H9NOSe	274.177	2	0	20.31	3	1	0	-0.6348	2.08698	2.56	4.335	7.4415	68.527	1.6845	198.677570262328
Cond-013284	CPD000058445	CPD000058445	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	73.4988502164338	O=c1n([se]c2ccccc12)c1ccccc1	InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	C13H9NOSe	274.177	2	0	20.31	3	1	0	-0.6348	2.08698	2.56	4.335	7.4415	68.527	1.6845	198.677570262328
Cond-013285	CPD000058450	CPD000058450	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.773959967009	CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc21	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	C15H14FN3O3	303.288	6	0	63.91	3	3	0	0.233600000000001	1.88669	2.34	1.823	37.9031	79.2905	2.0885	256.10016065729
Cond-013286	CPD000058451	CPD000058451	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.6615375903063	FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1.CC(=O)O	InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)	C19H24F6N2O5	474.395	5	2	59.59	2	10	0	-0.0352000000000009	3.40909	2.12	4.3	57.8304	90.5384000000001	2.5966	341.19899875559
Cond-013287	CPD000058451	CPD000058451	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	16.6443053209458	FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1.CC(=O)O	InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)	C19H24F6N2O5	474.395	5	2	59.59	2	10	0	-0.0352000000000009	3.40909	2.12	4.3	57.8304	90.5384000000001	2.5966	341.19899875559
Cond-013288	CPD000058452	CPD000058452	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	7.09632765305583	CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1.Cl	InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H	C17H19ClF3NO	345.787	2	1	21.26	2	7	1	0.2991	3.7528	2.78	6.383	28.0721	78.2427000000001	2.2403	278.246191193781
Cond-013289	CPD000058452	CPD000058452	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.1061998024804	CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1.Cl	InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H	C17H19ClF3NO	345.787	2	1	21.26	2	7	1	0.2991	3.7528	2.78	6.383	28.0721	78.2427000000001	2.2403	278.246191193781
Cond-013290	CPD000058455	CPD000058455	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.197939139257	Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)	C21H27N5O4S	445.535	9	3	138.53	3	10	0	-2.4714	2.3695	2.67	3.235	58.8781	113.7346	3.295	400.46482203588
Cond-013291	CPD000058460	CPD000058460	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.77535080823181	CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	C26H28Cl2N4O4	531.431	8	0	69.06	5	8	0	0.4786	4.62568	3.22	3.385	73.4343	140.485	3.7208	449.611720337914
Cond-013292	CPD000058460	CPD000058460	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	33.5380449998471	CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	C26H28Cl2N4O4	531.431	8	0	69.06	5	8	0	0.4786	4.62568	3.22	3.385	73.4343	140.485	3.7208	449.611720337914
Cond-013293	CPD000058461	CPD000058461	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	102.292155556038	OC(=O)C1CCn2c(ccc12)C(=O)c1ccccc1.NC(CO)(CO)CO	InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2	C19H24N2O6	376.404	4	1	59.3	3	3	0	-0.9115	2.66458	2.67	3.329	26.7087	73.3628	1.8712	228.03908139065
Cond-013294	CPD000058462	CPD000058462	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.100818746778	CN1CCC(=C2c3ccsc3C(=O)Cc3ccccc23)CC1.OC(=O)/C=C/C(=O)O	InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	C23H23NO5S	425.497	2	0	48.55	4	0	0	1.0881	3.80008	3.22	3.886	52.4898	93.5080000000001	2.3723	285.795131849796
Cond-013295	CPD000058463	CPD000058463	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.952578199575	CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(=O)N.Cl	InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H	C19H25ClN2O3	364.866	5	5	95.58	2	8	0	-2.2393	1.76269	3	4.548	41.0544	96.0557000000001	2.6432	320.576238803085
Cond-013296	CPD000058464	CPD000058464	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.140904986575	Nc1nnc(c(N)n1)c1cccc(Cl)c1Cl	InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)	C9H7Cl2N5	256.091	5	4	90.71	2	1	0	-0.0112000000000001	2.86858	1.68	1.479	19.6754	67.0738	1.6453	187.2945873089
Cond-013297	CPD000058465	CPD000058465	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.959447777843	CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl	InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/t19-,20+,21-;/m0./s1	C22H28ClNO2	373.916	3	1	40.54	3	6	1	-1.877	3.86329000000001	3.55	6.146	42.8946	102.8418	2.7988	340.320747071158
Cond-013298	CPD000058466	CPD000058466	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	44.8206204939502	CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.Cl	InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H	C29H34Cl2N2O2	513.498	4	1	43.78	4	8	1	-1.0733	4.74809000000001	4.1	8.4	59.2482	139.5298	3.7697	456.434632627625
Cond-013299	CPD000058469	CPD000058469	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	47.0507475344526	Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F	InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)	C16H14F3N3O2S	369.361	5	1	87.08	3	6	0	0.6676	4.1328	2.23	2.743	35.4454	85.7715	2.3696	284.350060340809
Cond-013300	CPD000058470	CPD000058470	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	73.8343274826758	CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12.OC(=O)CCC(=O)O	InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)	C22H24ClN3O5	445.896	4	0	28.07	4	1	0	0.2755	4.16988	2.89	4.308	43.3768	96.111	2.3899	287.194711353096
Cond-013301	CPD000058471	CPD000058471	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.028644222517	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl	InChI=1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H	C14H23Cl2N3O2	336.257	5	3	67.59	1	8	0	0.0496000000000025	1.97079	2.34	1.144	56.8984	85.5591	2.3398	282.67975175499
Cond-013302	CPD000058475	CPD000058475	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.231248160864	Cc1nc(O)c(C#N)cc1c1ccncc1	InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)	C12H9N3O	211.219	4	1	69.8	2	1	0	0.0139	2.32341	2.34	1.35	14.4957	61.1968	1.5963	190.284194528262
Cond-013303	CPD000058481	CPD000058481	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	16.4986480988391	CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C	InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	C29H35NO2	429.594	3	1	40.54	5	2	0	2.0036	5.57236000000001	4.32	4.912	106.9104	131.4898	3.5249	444.943263349825
Cond-013304	CPD000058481	CPD000058481	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	73.4621289292628	CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C	InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	C29H35NO2	429.594	3	1	40.54	5	2	0	2.0036	5.57236000000001	4.32	4.912	106.9104	131.4898	3.5249	444.943263349825
Cond-013305	CPD000058486	CPD000058486	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	18.476562724342	CNCCC=C1c2ccccc2CCc2ccccc12.Cl	InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H	C19H22ClN	299.838	1	1	12.03	3	3	1	-0.197500000000001	3.58898	3.44	8.036	35.4498	84.5867000000001	2.2587	270.852339792434
Cond-013306	CPD000058486	CPD000058486	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	78.5561777068928	CNCCC=C1c2ccccc2CCc2ccccc12.Cl	InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H	C19H22ClN	299.838	1	1	12.03	3	3	1	-0.197500000000001	3.58898	3.44	8.036	35.4498	84.5867000000001	2.2587	270.852339792434
Cond-013307	CPD000058490	CPD000058490	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	63.3278372524269	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1.Cl	InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H	C22H32ClNO3	393.947	4	1	49.77	2	8	1	-0.162999999999998	3.31528	3.44	5.374	72.4673	105.2568	3.0091	375.003891173319
Cond-013308	CPD000058500	CPD000058500	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.422749654912	NNCCc1ccccc1.OS(=O)(=O)O	InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)	C8H14N2O4S	234.273	2	3	38.05	1	3	0	-0.7487	0.6924	2.12	2.898	17.7481	42.3361	1.1978	137.752021320867
Cond-013309	CPD000058501	CPD000058501	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.824744250597	CCC1(C(=O)NCNC1=O)c1ccccc1	InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)	C12H14N2O2	218.252	4	2	58.2	2	2	0	-1.327	0.77179	2.34	3.028	32.0879	62.8064	1.6842	206.887037123056
Cond-013310	CPD000058504	CPD000058504	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	35.789972366723	CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13.CS(=O)(=O)O	InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1	C20H30N2O3S2	410.594	2	1	44.33	4	4	0	-0.454	3.7892	3.22	4.295	61.3694	97.317	2.5424	295.911041459801
Cond-013311	CPD000058506	CPD000058506	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.546871058856	CCCNC(C)C(=O)Nc1ccccc1C.Cl	InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H	C13H21ClN2O	256.772	3	2	41.13	1	6	0	-0.744099999999999	2.92991	2.56	2.958	38.9876	70.2194	1.918	230.385712449961
Cond-013312	CPD000058507	CPD000058507	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.9422706617746	Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1	InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3	C23H24FN3O2	393.454	5	0	52.98	4	5	0	-0.228500000000002	3.61885	3.33	2.252	84.7523	113.0205	2.9624	378.948434861264
Cond-013313	CPD000058508	CPD000058508	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	14.7738926670929	Oc1ccc(cc1)c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1.Cl	InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H	C28H28ClNO4S	510.044	5	2	98.24	5	7	1	-1.5523	5.49487000000001	3.88	5.077	50.3694	136.4426	3.5359	423.12738008028
Cond-013314	CPD000058510	CPD000058510	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.503809657094	COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1	InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	C16H21NO3	275.343	4	1	47.56	3	4	0	-2.3028	2.85399	2.78	2.208	43.4849	79.4887000000001	2.1411	264.144442118917
Cond-013315	CPD000058513	CPD000058513	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.865241376399	CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.OS(=O)(=O)O	InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)	C13H23NO7S	337.389	4	4	72.72	1	5	0	-0.794900000000001	1.0507	2.45	1.173	43.3166	67.8963000000001	1.9786	239.605864343717
Cond-013316	CPD000058515	CPD000058515	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.5182268363392	OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1.Cl	InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H	C20H32ClNO	337.927	2	1	23.47	3	5	1	-2.5081	3.98940000000001	3.44	5.96	53.9898	91.0438000000001	2.6303	318.384385922063
Cond-013317	CPD000058520	CPD000058520	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.402756185234	Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1.Cl	InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H	C19H23Cl2N5O	408.325	6	0	42.39	4	5	0	0.267200000000003	2.96416	2.78	2.564	78.5414	107.116	2.7304	337.384216395296
Cond-013318	CPD000058523	CPD000058523	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.098968389825	CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1	InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3	C17H20N2O2	284.353	4	1	53.43	2	7	0	-0.8639	2.10059	2.89	3.475	33.0426	84.0838000000001	2.3027	277.19404285079
Cond-013319	CPD000058524	CPD000058524	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.705158994717	O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12	InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)	C13H10N2O4	258.23	6	1	83.55	3	1	0	-1.9269	0.32169	2.23	0.697	35.5496	66.3567	1.7479	224.134099047645
Cond-013320	CPD000058525	CPD000058525	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.998735473183	COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl	InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H	C20H30ClN5O3	423.937	8	1	68.36	3	7	0	-0.840399999999999	1.84927	2.78	1.289	82.1584	111.6757	3.0179	372.042504053452
Cond-013321	CPD000058528	CPD000058528	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	9.99189793429448	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1	C20H30O2	302.451	2	1	37.3	4	0	0	1.0101	4.42938000000001	3.44	4.052	88.1159	90.3068000000001	2.5236	317.357852414457
Cond-013322	CPD000058528	CPD000058528	5-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	86.7555242151536	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1	C20H30O2	302.451	2	1	37.3	4	0	0	1.0101	4.42938000000001	3.44	4.052	88.1159	90.3068000000001	2.5236	317.357852414457
Cond-013323	CPD000058537	CPD000058537	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.470105013309	Cn1c(=O)n(C)c2[nH]cnc2c1=O	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	C7H8N4O2	180.164	6	1	69.3	2	0	0	-0.967	-0.46201	1.57	-0.864	29.5775	47.934	1.2223	145.037093110856
Cond-013324	CPD000058540	CPD000058540	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.887095695333	CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)C)[C@]1(O)C(=O)OC.OS(=O)(=O)O	InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1	C46H58N4O14S	923.036	14	3	171.17	9	11	2	-2.7746	4.45076000000001	4.98	3.564	163.0558	226.832599999999	6.08280000000002	760.515426612143
Cond-013325	CPD000058553	CPD000058553	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.78006577937	Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1	C10H12ClN5O3	285.687	8	4	119.31	3	2	0	-1.7568	0.22659	1.57	-0.692	37.4576	67.935	1.8173	208.666642966817
Cond-013326	CPD000058555	CPD000058555	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	74.867679117701	CCCc1c(O)c(ccc1OCCCCc1nn[nH]n1)C(=O)C	InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)	C16H22N4O3	318.371	7	2	100.99	2	9	0	-2.3154	2.44938	2.45	3.697	45.3768	90.2318	2.4631	293.318264042618
Cond-013327	CPD000058570	CPD000058570	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.2064267857511	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-013328	CPD000058570	CPD000058570	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.6195559496262	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-013329	CPD000058572	CPD000058572	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	108.362510780015	C[N+]1(C)CCN(CC1)c1ccccc1.[I-]	InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1	C12H19IN2	318.197	2	0	3.24	2	1	0	-1.1797	1.583	2.56	2.058	33.1402	60.4974	1.6743	195.897730473934
Cond-013330	CPD000058576	CPD000058576	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.878538927646	OC[C@@H]1CC[C@@H](O1)n1cnc2c(O)ncnc12	InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1	C10H12N4O3	236.227	7	2	93.29	3	2	0	-1.5441	1.09638	1.79	-0.54	26.7571	61.2068	1.5951	182.458814988217
Cond-013331	CPD000058579	CPD000058579	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.51041816228	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+]	InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1	C23H26N5NaO7S	539.537	12	2	184.56	4	9	1	-2.3517	-1.68221	2.56	1.283	96.2724	127.1764	3.5798	456.016324637297
Cond-013332	CPD000058600	CPD000058600	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.0338538857339	CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)	C13H12Cl2O4	303.138	4	1	63.6	1	6	0	1.4479	4.26657	2.23	2.362	49.2552	78.3883	2.0533	259.912090274578
Cond-013333	CPD000058603	CPD000058603	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.217638933378	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O	InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1	C24H34O5	402.524	5	1	88.51	4	4	0	0.0960999999999971	4.30719000000001	3.55	2.664	106.1477	110.2808	3.1773	407.639553618008
Cond-013334	CPD000058605	CPD000058605	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.6989682718448	CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]	InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1	C9H13BrN2O2	261.116	4	0	33.42	1	3	0	-1.221	1.87057	2.01	1.086	25.8829	55.487	1.4346	171.310229997456
Cond-013335	CPD000058610	CPD000058610	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	78.2208222878927	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O	InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1	C18H26O2	274.398	2	1	37.3	4	0	0	-0.123600000000002	3.64918	3.22	3.223	76.2047	81.0728000000001	2.2418	282.765883162723
Cond-013336	CPD000058612	CPD000058612	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.35168249774	Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	C10H12ClN5O4	301.686	9	5	139.54	3	2	0	-1.9795	-0.80261	1.46	-1.293	40.5085	69.3248	1.876	217.456869667378
Cond-013337	CPD000058613	CPD000058613	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.710939361432	CS(=O)(=O)OCCCCOS(=O)(=O)C	InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3	C6H14O6S2	246.302	6	0	103.5	0	7	0	-1.1338	1.1136	1.24	-1.232	46.6246	44.0095	1.6332	202.091774774567
Cond-013338	CPD000058623	CPD000058623	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.014283732376	CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl	InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H	C16H22ClN3	291.819	3	0	19.37	2	6	0	0.2658	2.71549	2.89	4.26	31.326	80.5680000000001	2.1872	255.950823732767
Cond-013339	CPD000058635	CPD000058635	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.976471864272	NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12	InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)	C14H11ClN2O4S	338.766	6	4	117.87	3	2	0	-1.2673	0.3255	2.12	1.638	29.0639	75.8959	2.1747	264.250175501545
Cond-013340	CPD000058660	CPD000058660	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	109.358913201949	CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1.[Br-]	InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1	C21H34BrNO3	428.404	4	1	46.53	2	9	0	-2.1082	3.37689	3.33	4.855	66.7026	102.4712	2.9757	364.299053299452
Cond-013341	CPD000058661	CPD000058661	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.400005132144	CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C.[Br-]	InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1	C23H30BrNO3	448.393	4	0	35.53	3	7	1	-1.6039	5.50349000000001	3.55	5.433	57.0441	111.7264	3.0199	367.725187747986
Cond-013342	CPD000058672	CPD000058672	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.861856438192	CC[N+](C)(C)c1cccc(O)c1.[Cl-]	InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H	C10H16ClNO	201.693	2	1	20.23	1	2	0	-1.3469	2.34959	2.34	1.664	23.9485	54.709	1.46	171.455686415395
Cond-013343	CPD000058680	CPD000058680	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.8203740115	CC(C[N+](C)(C)C)OC(=O)N.[Cl-]	InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H	C7H17ClN2O2	196.675	4	2	52.32	0	4	0	-1.2085	-0.22561	1.79	-0.515	39.8917	45.8838	1.3904	167.884095548922
Cond-013344	CPD000058691	CPD000058691	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.49503181079291	CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.56379999999999	4.66157000000001	3.66	4.049	108.3588	109.114	3.0756	396.212868216647
Cond-013345	CPD000058691	CPD000058691	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.9081287204315	CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1	C24H32O4	384.508	4	0	60.44	4	3	0	1.56379999999999	4.66157000000001	3.66	4.049	108.3588	109.114	3.0756	396.212868216647
Cond-013346	CPD000058693	CPD000058693	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	34.2680431497327	C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12	InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1	C22H32O3	344.488	3	1	54.37	4	1	0	0.028700000000001	4.10038000000001	3.55	3.245	97.502	99.7908000000001	2.8211	358.103589665952
Cond-013347	CPD000058701	CPD000058701	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.301529575348	CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=C(C(=O)NCN2CCCC2)C1=O)O)C(=O)c1c(O)cccc1[C@@]3(C)O	InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,34-35,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,20-,26+,27-/m0/s1	C27H33N3O8	527.566	11	6	170.87	5	5	1	-4.0068	0.214970000000001	3.22	1.144	108.8086	136.0882	3.7949	485.086174717792
Cond-013348	CPD000058704	CPD000058704	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	42.8424335570956	CC(C)N=c1cc2n(c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1	InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3	C27H22Cl2N4	473.396	4	1	39.99	5	4	1	0.638900000000001	8.83775000000001	3.77	8.655	64.8797	141.8817	3.45490000000001	421.200963358336
Cond-013349	CPD000058707	CPD000058707	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.251520145403	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O	InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	C16H19N3O5S	365.404	8	5	158.26	3	5	0	-1.874	-0.0835100000000008	2.23	-1.892	63.5964	93.1587	2.5356	316.954522592373
Cond-013350	CPD000058714	CPD000058714	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	43.7319606846281	CCc1nc(N)nc(N)c1c1ccc(Cl)cc1	InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	C12H13ClN4	248.711	4	4	77.82	2	2	0	-0.9922	3.38258	2.23	2.319	22.8701	73.6468	1.8458	212.9747132079
Cond-013351	CPD000058715	CPD000058715	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.114561488238	COc1cc(C)nn1c1nc(C)cc(OC)n1	InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3	C11H14N4O2	234.254	6	0	61.54	2	3	0	0.7886	2.48992	2.01	1.803	28.9946	64.676	1.7429	200.684572913523
Cond-013352	CPD000058719	CPD000058719	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.145828660552	COc1ccccc1OCC(O)COC(=O)N	InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)	C11H15NO5	241.241	6	3	91.01	1	7	0	-0.7774	0.628980000000001	2.01	0.389	33.1146	64.9462	1.7712	219.957889792306
Cond-013353	CPD000058721	CPD000058721	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.998577786425	OC(COc1cccc2oc(cc(=O)c12)C(=O)[O-])COc1cccc2oc(cc(=O)c12)C(=O)[O-].[Na+]	InChI=1S/C23H16O11.Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);/q;+1/p-2	C23H14NaO11-	489.34	11	1	171.55	4	8	0	-3.6381	-1.02545	2.78	0.738	61.5807	112.8028	3.0016	397.556800888307
Cond-013354	CPD000058723	CPD000058723	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.604164160504	OC(=O)c1cc(ccc1O)c1ccc(F)cc1F	InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)	C13H8F2O3	250.198	3	2	57.53	2	2	0	0.2593	3.05239	2.34	3.935	11.5289	64.3236	1.6336	206.941928332163
Cond-013355	CPD000058726	CPD000058726	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.588387970763	Cc1ncc(N(=O)=O)n1CC(O)CCl	InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3	C7H10ClN3O3	219.626	6	1	81.19	1	4	0	0.9814	1.705	1.46	0.819	33.6892	54.5788	1.4552	173.034544775284
Cond-013356	CPD000058729	CPD000058729	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.4140584072739	CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl	InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H	C18H24ClNO3	337.841	4	3	61.72	2	7	0	-1.5321	3.40148	3	3.737	36.7516	90.7655000000001	2.4455	294.919952669851
Cond-013357	CPD000058733	CPD000058733	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	12.2820635500706	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.ON(=O)=O	InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)	C18H15Cl4N3O4	479.141	3	0	27.05	3	6	0	2.8091	6.17939	2.67	4.911	39.8018	102.188	2.7229	320.651154456229
Cond-013358	CPD000058733	CPD000058733	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	16.8229160765057	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.ON(=O)=O	InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)	C18H15Cl4N3O4	479.141	3	0	27.05	3	6	0	2.8091	6.17939	2.67	4.911	39.8018	102.188	2.7229	320.651154456229
Cond-013359	CPD000058736	CPD000058736	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	32.1521592595081	Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1.Cl	InChI=1S/C25H27ClN2.ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;/h2-13,18,25H,14-17,19H2,1H3;1H	C25H28Cl2N2	427.409	2	0	6.48	4	5	1	1.4203	4.57792	3.88	8.253	43.8726	114.208	3.1317	372.306699423836
Cond-013360	CPD000058741	CPD000058741	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.702597666663	CN(CCO)CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12.OC(=O)c1cccnc1	InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)	C19H26N6O6	434.446	9	2	102.14	2	6	0	-1.3425	-0.81652	1.9	-2.153	65.1461	82.7716	2.2849	277.390214475345
Cond-013361	CPD000058745	CPD000058745	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	57.7731979561481	CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl	InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	C25H32ClFO5	466.97	5	1	80.67	4	5	0	0.715899999999996	4.18937	3.44	2.976	118.5213	120.4458	3.4153	443.577706163814
Cond-013362	CPD000058746	CPD000058746	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.3023388668261	COc1ccc2cc(ccc2c1)[C@H](C)C(=O)[O-].[Na+]	InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1	C14H13NaO3	252.241	3	0	49.36	2	3	0	-0.6746	1.93569	2.67	3.269	21.6114	67.165	1.7606	213.421024607817
Cond-013363	CPD000058766	CPD000058766	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.538146629297	Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.Cl	InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1	C19H22ClNO4	363.835	5	2	70	5	2	0	-0.848400000000002	1.46148	3	0.612	64.5263	90.2436	2.3623	297.473246594679
Cond-013364	CPD000058767	CPD000058767	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.871964237414	Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.Cl	InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1	C20H24ClNO4	377.862	5	2	70	6	2	0	-1.3508	1.75929	3.11	0.735	66.0855	93.0406000000001	2.4376	305.049231220546
Cond-013365	CPD000058769	CPD000058769	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	25.7667939772405	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1	C22H32O3	344.488	3	1	54.37	4	1	0	0.1945	4.24448000000001	3.55	3.539	97.2373	99.8608000000001	2.8211	358.103589665952
Cond-013366	CPD000058772	CPD000058772	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.64399036057	C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O.[Na+]	InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1	C18H21NaO5S	372.411	5	0	91.88	4	2	0	-0.626799999999998	3.49849000000001	2.78	2.742	61.0444	82.7739	2.4739	310.154440570007
Cond-013367	CPD000058773	CPD000058773	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	104.038761898785	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+]	InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1	C25H31NaO8	482.499	8	2	141.03	4	7	0	-1.3365	0.724870000000002	3.33	0.221	114.9626	115.8656	3.3868	444.715071593558
Cond-013368	CPD000058778	CPD000058778	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.483113492062	NCc1ccc(cc1)S(=O)(=O)N.CC(=O)O	InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)	C9H14N2O4S	246.283	4	4	94.56	1	2	0	-1.6748	-0.0329099999999997	1.68	-0.207	20.0759	40.6468	1.3378	156.545514153722
Cond-013369	CPD000058785	CPD000058785	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.2567277254807	Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+]	InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1	C14H10Cl2NNaO2	318.13	3	1	52.16	2	3	0	0.7926	3.697	2.45	3.759	24.9748	77.4217	2.0035	243.413234955489
Cond-013370	CPD000058785	CPD000058785	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.3407226487804	Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+]	InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1	C14H10Cl2NNaO2	318.13	3	1	52.16	2	3	0	0.7926	3.697	2.45	3.759	24.9748	77.4217	2.0035	243.413234955489
Cond-013371	CPD000058800	CPD000058800	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.754316932585	CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C.Cl	InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H	C18H29ClN2O4	372.887	6	3	87.66	1	11	1	-2.1004	3.70027	2.78	1.747	67.0727	100.1717	2.7556	340.59985698018
Cond-013372	CPD000058802	CPD000058802	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.589848286164	NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F	InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)	C15H14F3N3O4S2	421.415	7	4	135.12	3	4	0	-0.8075	2.9337	1.79	3.48	39.6471	85.9238	2.5526	316.680011874465
Cond-013373	CPD000058803	CPD000058803	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.733851059253	COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl	InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H	C17H26ClNO4	343.846	5	0	48	2	8	0	-1.2004	2.73949	2.78	1.513	57.612	88.3580000000001	2.4493	302.587112146146
Cond-013374	CPD000058809	CPD000058809	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.439175879865	CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(=C(N2C1=O)C(=O)[O-])COC(=O)N.[Na+]	InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1	C16H16N3NaO7S2	449.434	10	3	204.63	3	9	0	-1.1062	-2.74832	1.9	-1.091	79.398	99.1501	2.752	349.089311999896
Cond-013375	CPD000058817	CPD000058817	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.6979179197482	CN(C)CCOC(c1ccccc1)c1ccccc1C.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	C24H31NO8	461.505	2	0	12.47	2	6	1	0.6785	3.02442	3.22	6.049	34.2349	81.168	2.3281	277.339499268729
Cond-013376	CPD000058821	CPD000058821	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	96.6309266558564	OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1.Cl	InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H	C19H30ClNO	323.901	2	1	23.47	3	5	1	-2.2201	3.5993	3.33	5.602	51.0782	86.4268000000001	2.4894	301.088401296196
Cond-013377	CPD000058829	CPD000058829	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.160827246613	CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N	InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	C16H16ClN3O3S	365.835	6	3	100.88	3	4	0	-0.7505	2.53088	2.34	2.624	41.2587	90.4111	2.4976	301.048678260884
Cond-013378	CPD000058832	CPD000058832	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100	C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]	InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1	C21H26BrNO3	420.34	4	1	46.53	3	5	1	-2.6788	2.36459	3.33	5.015	41.1982	98.3712000000001	2.7381	333.133218496252
Cond-013379	CPD000058833	CPD000058833	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.863922077138	COc1ccc(OC)c(c1)C(O)CNC(=O)CN.Cl	InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H	C12H19ClN2O4	290.743	6	4	93.81	1	7	0	-2.1892	0.26039	2.12	-0.679	41.5319	71.3619	1.9532	239.460407925778
Cond-013380	CPD000058835	CPD000058835	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	85.1134066259916	COc1ccc2cc(CCC(=O)C)ccc2c1	InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3	C15H16O2	228.286	2	0	26.3	2	4	0	-0.2085	3.60389	2.89	4.291	27.5008	72.745	1.8643	223.245011883523
Cond-013381	CPD000058840	CPD000058840	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.946395145424	CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)[O-].[Na+]	InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1	C21H21N2NaO5S	436.457	7	1	124.07	4	6	0	-0.985899999999999	1.88378	2.89	3.661	62.8187	112.7742	2.9242	362.590080060741
Cond-013382	CPD000058847	CPD000058847	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.1455340977648	COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	C17H19N3O3S	345.416	6	1	96.31	3	5	0	0.2504	3.23692	2.56	0.986	42.8132	90.9655	2.5161	292.233595116318
Cond-013383	CPD000058849	CPD000058849	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.0312478899723	CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]	InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1	C19H15NaO4	330.31	4	0	66.43	3	4	1	-1.4098	2.99187	3.11	5.519	33.8172	87.72	2.2862	288.425339634512
Cond-013384	CPD000058855	CPD000058855	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	91.2751438439507	Oc1nc2ccccc2n1C1=CCN(CCCC(=O)c2ccc(F)cc2)CC1	InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)	C22H22FN3O2	379.427	5	1	58.36	4	6	0	-0.703400000000001	4.86947000000001	3.22	4.568	48.7344	111.7958	2.8215	339.852450235397
Cond-013385	CPD000058856	CPD000058856	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.789173750598	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO	InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1	C22H29FO4	376.462	4	2	74.6	4	2	0	-0.343499999999999	2.86707	3.33	2.289	100.0493	101.1876	2.8545	370.32491651602
Cond-013386	CPD000058866	CPD000058866	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	21.4460778578082	CC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1	InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12?,14-/m1/s1	C18H26O5	322.396	5	3	86.99	2	0	0	-3.4751	3.25919000000001	2.89	3.746	51.9266	89.7004000000001	2.5491	317.676563264407
Cond-013387	CPD000058874	CPD000058874	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.495773943212	Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1	C10H12FN5O4	285.232	9	5	139.54	3	2	0	-2.1762	-1.65582	1.46	-1.43	35.6737	66.4078	1.7713	208.313360747251
Cond-013388	CPD000058877	CPD000058877	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	16.5849667279099	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O)O	InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,23-24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1	C21H32O3	332.477	3	2	57.53	4	1	1	0.933599999999996	4.56108000000001	3.44	5.174	93.1854	96.4256000000001	2.7232	343.444063740885
Cond-013389	CPD000058877	CPD000058877	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	82.9324484378315	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O)O	InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,23-24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1	C21H32O3	332.477	3	2	57.53	4	1	1	0.933599999999996	4.56108000000001	3.44	5.174	93.1854	96.4256000000001	2.7232	343.444063740885
Cond-013390	CPD000058878	CPD000058878	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	29.3295010545811	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1	C21H32N2O	328.492	3	2	48.91	5	0	1	0.9965	3.63620000000001	3.44	5.812	79.4875	94.9278000000001	2.6968	324.600672055297
Cond-013391	CPD000058904	CPD000058904	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.350702913655	CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl	InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H	C15H23ClN2O	282.809	3	1	32.34	2	3	0	-0.2448	3.05413	2.78	2.969	43.8102	76.3727	2.0912	252.621223000895
Cond-013392	CPD000058908	CPD000058908	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.392334811748	CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc31.OC(C(O)C(=O)O)C(=O)O	InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;/m1./s1	C21H29NO7	407.457	2	1	23.47	4	0	0	-0.999500000000001	3.45099	3.11	3.688	49.1503	78.9010000000001	2.099	254.139973343662
Cond-013393	CPD000058918	CPD000058918	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.556571173918	CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O	InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)	C17H27N3O7S	417.477	7	4	117	1	11	1	-1.3408	1.46858	2.45	2.404	51.583	91.0148	2.5306	314.368189235812
Cond-013394	CPD000058926	CPD000058926	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.964590940543	C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C2)(N)C3.Cl	InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-;	C12H22ClN	215.763	1	2	26.02	0	0	0	1.0069	2.6941	2.67	3.524	54.0579	54.3244	1.5734	190.035658316967
Cond-013395	CPD000058957	CPD000058957	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.916120586103	NC(=O)CS(=O)C(c1ccccc1)c1ccccc1	InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)	C15H15NO2S	273.35	3	2	79.37	2	5	0	-1.4082	2.75179	2.67	3.296	24.5666	78.6039	2.0846	250.114337448489
Cond-013396	CPD000058959	CPD000058959	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	36.0910910181932	CCC(C)n1ncn(c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3	C35H38Cl2N8O4	705.633	12	0	100.79	7	11	3	0.219	6.95376000000001	3.77	6.175	99.0669	194.078999999999	4.99890000000001	603.103870598579
Cond-013397	CPD000058961	CPD000058961	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.223306497389	NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1	InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)	C8H15N7O2S3	337.445	9	8	232.75	1	9	1	-0.6434	-0.0854600000000001	1.02	0.151	60.6005	77.5376	2.2617	263.206889234823
Cond-013398	CPD000058963	CPD000058963	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.232816089425	Nc1nc(cc(=N)n1O)N1CCCCC1	InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)	C9H15N5O	209.248	6	4	88.94	2	1	0	-1.3523	0.13177	1.79	0.78	49.3044	58.5126	1.5882	195.372054570995
Cond-013399	CPD000058970	CPD000058970	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	15.9408493215989	c1cn(cn1)C(c1ccccc1)c1ccc(cc1)c1ccccc1	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H	C22H18N2	310.392	2	0	17.82	4	4	1	-0.0372	5.6627	3.66	9.213	6.2959	98.1250000000001	2.5006	289.034760374202
Cond-013400	CPD000058970	CPD000058970	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	18.2843417467563	c1cn(cn1)C(c1ccccc1)c1ccc(cc1)c1ccccc1	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H	C22H18N2	310.392	2	0	17.82	4	4	1	-0.0372	5.6627	3.66	9.213	6.2959	98.1250000000001	2.5006	289.034760374202
Cond-013401	CPD000058975	CPD000058975	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.898436790594	CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12	InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1	C17H27NO4	309.401	5	4	81.95	2	6	0	-0.925000000000001	1.13559	2.78	1.774	61.4623	87.1821000000001	2.4923	305.223570846946
Cond-013402	CPD000058991	CPD000058991	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.723714941039	O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1	InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2	C23H20N2O3S	404.482	5	0	76.9	4	6	0	-2.2119	5.38236	3.33	4.962	35.2936	113.5585	2.9811	362.110449159352
Cond-013403	CPD000058999	CPD000058999	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.182290094251	CN(C)CCOC(c1ccccc1)c1ccccc1C.Cl	InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H	C18H24ClNO	305.842	2	0	12.47	2	6	1	0.6785	3.02442	3.22	6.049	34.2349	81.168	2.3281	277.339499268729
Cond-013404	CPD000059006	CPD000059006	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.713835001916	CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]1O.Cl	InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14+,15-,16-,18-;/m1./s1	C18H35ClN2O6S	442.998	8	5	147.79	2	8	0	-2.1177	-0.623110000000001	2.45	0.69	99.4192	106.4839	3.0999	385.778710541302
Cond-013405	CPD000059010	CPD000059010	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.864131147201	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(=C([C@@H](O)C1=O)C2(C)C)C	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43-/m0/s1	C43H53NO14	807.879	15	5	224.45	6	14	2	-0.859000000000005	2.44268000000001	4.54	4.566	148.8337	205.410399999999	5.92130000000002	758.767475014687
Cond-013406	CPD000059011	CPD000059011	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	10.2607732411527	CCN1CCN(CC1)c1cc2n(cc(C(=O)O)c(=O)c2cc1F)C1CC1	InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)	C19H22FN3O3	359.395	6	1	64.09	4	4	0	-0.4604	2.78837	2.78	2.65	68.5324	99.6743000000001	2.5865	326.464099160758
Cond-013407	CPD000059011	CPD000059011	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	87.3817985128636	CCN1CCN(CC1)c1cc2n(cc(C(=O)O)c(=O)c2cc1F)C1CC1	InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)	C19H22FN3O3	359.395	6	1	64.09	4	4	0	-0.4604	2.78837	2.78	2.65	68.5324	99.6743000000001	2.5865	326.464099160758
Cond-013408	CPD000059024	CPD000059024	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.861976909099	OC(=O)c1cccnc1	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	C6H5NO2	123.109	3	1	50.19	1	1	0	-0.2398	0.74819	1.79	0.637	7.2193	34.2178	0.890600000000001	107.107286561289
Cond-013409	CPD000059044	CPD000059044	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.319737910966	C(c1ccccc1)n1ccnc1	InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2	C10H10N2	158.2	2	0	17.82	2	2	0	0.0248000000000001	2.2037	2.34	3.038	7.6102	48.057	1.285	143.8146144702
Cond-013410	CPD000059045	CPD000059045	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	77.5045722800591	N1c2ccccc2Sc2ccccc12	InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H	C12H9NS	199.272	1	1	37.33	3	0	0	0.1702	4.49489	2.56	3.911	11.0935	60.5327	1.4789	170.925930169767
Cond-013411	CPD000059046	CPD000059046	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.093590958462	CC(=O)NCCCCCCNC(=O)C	InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)	C10H20N2O2	200.278	4	2	58.2	0	9	0	-2.3786	1.05289	2.12	0.642	46.8026	59.0784	1.7486	215.817361375322
Cond-013412	CPD000059047	CPD000059047	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	16.8877140129991	Nc1nc(O)ncc1F	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)	C4H4FN3O	129.092	4	3	72.03	1	0	0	-0.7305	-0.03022	1.35	-0.57	7.6592	31.2432	0.8104	94.4226285764344
Cond-013413	CPD000059047	CPD000059047	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	80.2086889552397	Nc1nc(O)ncc1F	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)	C4H4FN3O	129.092	4	3	72.03	1	0	0	-0.7305	-0.03022	1.35	-0.57	7.6592	31.2432	0.8104	94.4226285764344
Cond-013414	CPD000059053	CPD000059053	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.656972820698	CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.Cl	InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1	C11H17ClN2O2	244.718	4	0	44.12	2	3	0	-0.5891	1.80088	2.23	1.307	39.6987	59.426	1.6293	194.863969898789
Cond-013415	CPD000059060	CPD000059060	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.682463267948	CC(C)Oc1ccc2c(=O)c(coc2c1)c1ccccc1	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3	C18H16O3	280.318	3	0	35.53	3	3	1	-0.7686	4.37647	3.11	5.895	32.1197	85.604	2.1511	266.293816359284
Cond-013416	CPD000059061	CPD000059061	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.422685867441	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	C9H15NO3S	217.285	4	1	96.41	1	4	0	-0.778699999999999	0.86179	1.9	0.638	51.2769	58.6308	1.6215	202.46740859865
Cond-013417	CPD000059064	CPD000059064	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.526040167011	Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1	InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2	C12H12N2O2S	248.301	4	4	94.56	2	2	0	-1.925	2.19769	2.23	1.233	17.0858	62.8568	1.8047	211.859602479856
Cond-013418	CPD000059074	CPD000059074	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.901034559683	CN1CCC[C@H]1c1cccnc1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	C10H14N2	162.232	2	0	16.13	2	1	0	-0.499300000000001	1.5072	2.34	1.485	22.528	48.064	1.371	159.9875318718
Cond-013419	CPD000059075	CPD000059075	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.36896787746609	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1	C19H28O2	288.424	2	1	37.3	4	0	0	0.174999999999997	4.03928000000001	3.33	3.035	82.4268	85.6898000000001	2.3827	300.06186778859
Cond-013420	CPD000059075	CPD000059075	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	52.2521596709573	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1	C19H28O2	288.424	2	1	37.3	4	0	0	0.174999999999997	4.03928000000001	3.33	3.035	82.4268	85.6898000000001	2.3827	300.06186778859
Cond-013421	CPD000059077	CPD000059077	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.840223239392	Nc1ccc2c[nH]nc2c1	InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)	C7H7N3	133.151	3	3	54.7	2	0	0	-1.1703	1.06839	1.9	1.008	7.5221	41.9794	1.0051	105.559879501567
Cond-013422	CPD000059079	CPD000059079	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.47628836241	CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl	InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H	C13H22ClN3O	271.786	4	3	58.36	1	7	0	-0.642899999999999	1.30879	2.45	1.492	43.967	73.9971	2.0178	241.382472658128
Cond-013423	CPD000059081	CPD000059081	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.004122429368	NCCc1ccc(O)c(O)c1.Cl	InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H	C8H12ClNO2	189.639	3	4	66.48	1	2	0	-1.4033	0.96959	2.01	0.57	18.5153	44.9492	1.2154	144.335714513822
Cond-013424	CPD000059082	CPD000059082	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.119790433796	NNC(=O)c1ccncc1	InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)	C6H7N3O	137.139	4	3	68.01	1	2	0	-1.2303	-0.34651	1.68	-0.571	12.7256	38.9121	1.0315	120.310580277061
Cond-013425	CPD000059083	CPD000059083	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.143228873607	Oc1[nH]cnc2nncc12	InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4O	136.111	5	2	74.69	2	0	0	-0.8807	0.35238	1.46	-0.517	5.8646	37.241	0.8818	90.7548971585614
Cond-013426	CPD000059086	CPD000059086	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	113.519381880527	OCc1cccnc1	InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2	C6H7NO	109.126	2	1	33.12	1	1	0	-0.4487	0.2344	1.9	0.38	7.2768	29.4038	0.874900000000001	100.953518561528
Cond-013427	CPD000059093	CPD000059093	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.008894599427	Cc1occc(=O)c1O	InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3	C6H6O3	126.11	3	1	46.53	1	0	0	-0.6804	0.97517	1.79	0.907	33.4346	33.2638	0.8925	118.437211754483
Cond-013428	CPD000059100	CPD000059100	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.744075341513	NCCc1ccccn1	InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2	C7H10N2	122.168	2	2	38.91	1	2	0	-1.0263	0.98799	2.01	1.056	11.8459	38.0364	1.0569	120.456036695
Cond-013429	CPD000059104	CPD000059104	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.9166624627801	OC(=O)CCCc1ccccc1	InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)	C10H12O2	164.201	2	1	37.3	1	4	0	-0.4306	2.32779	2.34	4.218	19.5455	50.2588	1.3544	165.294464856589
Cond-013430	CPD000059105	CPD000059105	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	82.7438446737933	Nc1c2CCCCc2nc2ccccc12.Cl	InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H	C13H15ClN2	234.725	2	2	38.91	3	0	0	-1.0079	3.10099	2.67	3.194	19.3625	63.8384	1.5991	183.346109647
Cond-013431	CPD000059106	CPD000059106	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	122.86219810574	Fc1cn(C2CCCO2)c(=O)[nH]c1=O	InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)	C8H9FN2O3	200.167	5	1	58.64	2	1	0	-1.4809	0.64568	1.68	-0.127	39.9042	46.5157	1.283	168.733801572057
Cond-013432	CPD000059111	CPD000059111	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.499297394422	CNCC(O)c1ccc(O)cc1	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3	C9H13NO2	167.205	3	3	52.49	1	3	0	-1.2775	0.67449	2.12	0.464	22.236	48.6345	1.3563	161.631699139689
Cond-013433	CPD000059115	CPD000059115	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.141068503606	C1Cc2c(CN1)[nH]c1ccccc21	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2	C11H12N2	172.226	2	2	27.82	3	0	0	-0.562	1.4521	2.45	1.975	20.4762	54.6927	1.3603	151.390599096067
Cond-013434	CPD000059117	CPD000059117	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.691034847633	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1	C21H28O2	312.446	2	1	37.3	4	1	0	0.615299999999998	4.12227	3.55	3.813	89.2626	92.8208000000001	2.5785	329.380919638724
Cond-013435	CPD000059118	CPD000059118	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.212371181456	Nc1nc(N)c2nc(c(N)nc2n1)c1ccccc1	InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)	C12H11N7	253.263	7	6	129.62	3	1	0	-2.2497	2.09737	2.01	1.366	12.6663	77.8082	1.8282	202.224549959567
Cond-013436	CPD000059120	CPD000059120	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.682293586711	CC(C)NCC(O)COc1cccc2[nH]ccc12	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3	C14H20N2O2	248.321	4	3	57.28	2	6	0	-1.4302	1.92449	2.56	1.62	38.8013	75.4325	2.009	233.215465075589
Cond-013437	CPD000059121	CPD000059121	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	92.7866784772079	COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	C22H22O8	414.405	8	1	92.68	5	4	0	-1.5006	2.78608	3	1.259	56.5346	107.0038	2.834	357.352429664758
Cond-013438	CPD000059124	CPD000059124	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.5013039897785	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C	InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1	C23H30O6	402.481	6	1	97.74	4	4	0	-0.633600000000001	2.72068	3.33	0.451	104.6342	106.6628	3.0521	396.497336991902
Cond-013439	CPD000059126	CPD000059126	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	59.5564151094142	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	C18H24O2	272.382	2	2	40.46	4	0	0	-0.4699	3.97979000000001	3.22	4.646	52.5961	81.1498000000001	2.1988	269.229424461923
Cond-013440	CPD000059128	CPD000059128	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	76.9481305637291	COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1	InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1	C21H26O2	310.43	2	1	29.46	4	1	1	1.0126	3.99519000000001	3.55	5.186	65.5568	90.7488000000001	2.5355	315.844460937924
Cond-013441	CPD000059131	CPD000059131	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.168377203615	O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1	InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)	C16H18N4O2	298.34	6	3	83.12	2	9	0	-1.632	0.651390000000001	2.56	3.041	32.1566	84.8771	2.3184	279.255119940456
Cond-013442	CPD000059133	CPD000059133	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.38469295608863	CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl	InChI=1S/C21H24F3N3S.ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h2-3,5-8,15H,4,9-14H2,1H3;1H	C21H25ClF3N3S	443.957	3	0	35.02	4	5	1	1.6122	5.13159	3	5.118	59.8036	107.215	2.8911	354.429530069021
Cond-013443	CPD000059133	CPD000059133	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	77.8572638220022	CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl	InChI=1S/C21H24F3N3S.ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h2-3,5-8,15H,4,9-14H2,1H3;1H	C21H25ClF3N3S	443.957	3	0	35.02	4	5	1	1.6122	5.13159	3	5.118	59.8036	107.215	2.8911	354.429530069021
Cond-013444	CPD000059134	CPD000059134	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.692709032634	CC(C)(C(=O)c1cccnc1)c1cccnc1	InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3	C14H14N2O	226.274	3	0	42.85	2	3	0	0.6504	2.60549	2.67	2.105	18.9707	68.852	1.8213	216.515862272628
Cond-013445	CPD000059136	CPD000059136	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.157349925354	Cc1c(O)c(=O)ccn1C	InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3	C7H9NO2	139.152	3	1	40.54	1	0	0	-0.4108	0.89037	1.9	1.321	40.4102	39.9418	1.0745	137.939729887956
Cond-013446	CPD000059142	CPD000059142	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.560864224153	CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl	InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H	C20H26ClNO3	363.878	4	1	49.77	2	9	1	-0.0944999999999996	2.46759	3.22	5.509	43.4627	96.1618000000001	2.6843	326.875463220785
Cond-013447	CPD000059145	CPD000059145	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.945074556391	CCN(C(=O)/C=C/C)c1ccccc1C	InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+	C13H17NO	203.28	2	0	20.31	1	4	0	1.1605	3.3855	2.67	3.746	38.9101	66.586	1.7752	216.752493540995
Cond-013448	CPD000059146	CPD000059146	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.371457183389	OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)	C18H14N4O5S	398.393	9	3	149.69	3	6	0	-1.6366	4.08157	2.34	4.845	20.9255	100.2623	2.7022	327.560958548274
Cond-013449	CPD000059151	CPD000059151	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.3489558554656	CC(C)c1cccc(C(C)C)c1O	InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3	C12H18O	178.271	1	1	20.23	1	2	0	0.6855	4.00959	2.67	4.422	31.1002	58.7040000000001	1.6205	193.732666108561
Cond-013450	CPD000059158	CPD000059158	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	100.325704608583	OC(=O)C(Cl)Cl	InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)	C2H2Cl2O2	128.942	2	1	37.3	0	1	0	0.9652	1.10859	1.24	0.571	22.6195	26.3728	0.7096	88.5145581937222
Cond-013451	CPD000059161	CPD000059161	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.424480062014	CC(C)(S)C(N)C(=O)O	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)	C5H11NO2S	149.211	3	3	102.12	0	2	0	-0.0417000000000003	0.34059	1.57	-1.883	37.2238	41.9192	1.1508	139.486160796222
Cond-013452	CPD000059165	CPD000059165	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.804696644251	CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O	InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	C16H24N2O4	308.373	6	5	112.65	1	9	0	-1.5585	0.766690000000001	2.56	0.902	55.076	86.3927	2.4738	306.007887728446
Cond-013453	CPD000059167	CPD000059167	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.23447456889	CC(C)NCC(O)COc1cccc2ccccc12.Cl	InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H	C16H22ClNO2	295.804	3	2	41.49	2	6	0	-1.0098	3.07829	2.89	4.053	35.5013	80.6495000000001	2.148	254.174215418356
Cond-013454	CPD000059171	CPD000059171	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.73754504305613	CCN(CC)C(=S)SSC(=S)N(CC)CC	InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	C10H20N2S4	296.539	2	0	121.26	0	9	0	4.1574	3.6212	1.9	3.24	86.416	86.22	2.2852	272.2730042046
Cond-013455	CPD000059171	CPD000059171	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.4786549604097	CCN(CC)C(=S)SSC(=S)N(CC)CC	InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	C10H20N2S4	296.539	2	0	121.26	0	9	0	4.1574	3.6212	1.9	3.24	86.416	86.22	2.2852	272.2730042046
Cond-013456	CPD000059176	CPD000059176	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	20.1953127000888	N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1	C15H11I4NO4	776.87	5	4	92.78	2	5	0	3.9816	5.29198	2.12	2.847	79.5981	130.11	3.0713	350.292973473075
Cond-013457	CPD000059182	CPD000059182	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.341881910691	CC(=O)OCC[N+](C)(C)C.[Cl-]	InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1	C7H16ClNO2	181.66	3	0	26.3	0	4	0	-1.195	0.48959	1.9	-0.0970000000000001	38.2306	42.7754	1.2906	156.887335340756
Cond-013458	CPD000059219	CPD000059219	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.555598688811	[O-]S(=O)(=O)CCS.[Na+]	InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1	C2H5NaO3S2	164.179	3	0	104.38	0	2	0	-0.6851	-0.2248	1.13	-0.23	26.7576	21.5569	0.872	105.218926819017
Cond-013459	CPD000071170	CPD000071170	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.7623737908345	COc1c2occc2cc2ccc(=O)oc12	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	C12H8O4	216.19	4	0	48.67	3	1	0	0.0640999999999999	3.42636	2.34	1.69	25.4701	63.738	1.4504	176.581052706245
Cond-013460	CPD000097306	CPD000097306	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	48.1216963516628	COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1	InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)	C23H25N5O5	451.475	10	2	112.27	5	5	0	-1.8824	3.38476	2.89	1.257	59.3152	128.9694	3.2118	387.088617828175
Cond-013461	CPD000109709	CPD000109709	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	16.963932933744	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3	C19H28O2	288.424	2	1	37.3	4	0	0	0.261499999999999	4.03928000000001	3.33	3.635	81.9381	85.6898000000001	2.3827	300.06186778859
Cond-013462	CPD000112002	CPD000112002	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.258330331495	COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	C29H32O13	588.557	13	3	160.83	7	5	0	-2.5703	1.71548000000001	3.22	0.199	90.7615	141.9444	3.89660000000001	497.66253814703
Cond-013463	CPD000112269	CPD000112269	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.50840536565	COc1ccc2[nH]cc(CCN)c2c1	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	C11H14N2O	190.242	3	3	51.04	2	3	0	-0.954899999999999	1.69659	2.34	1.066	24.0019	60.1024	1.5276	172.537284497428
Cond-013464	CPD000112281	CPD000112281	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.919559895747	COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c2cc1OC)CC6=CCO[C@H]5CC3=O	InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1	C23H26N2O4	394.464	6	0	51.24	7	2	0	-0.887699999999999	2.79687	3.33	0.632	82.468	109.91	2.8085	352.941027904713
Cond-013465	CPD000112358	CPD000112358	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.118306182374	COc1ccc(CCN)cc1OC	InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3	C10H15NO2	181.232	3	2	44.48	1	4	0	-0.5863	1.70579	2.23	1.179	28.0177	54.3654	1.4972	178.927683765556
Cond-013466	CPD000112560	CPD000112560	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.01001582258	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1	C27H30O16	610.517	16	10	265.52	5	6	2	-6.139	-1.59233	2.67	-1.188	92.2106	141.516	3.96510000000001	511.51770769778
Cond-013467	CPD000112594	CPD000112594	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.229761524144	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1	C20H34O5	354.481	5	3	94.83	1	13	1	-3.4355	3.63518000000001	3.11	3.306	83.975	100.2104	2.9825	378.161449917741
Cond-013468	CPD000145728	CPD000145728	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.267071994603	Nc1ccc(O)c(c1)C(=O)O	InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)	C7H7NO3	153.135	4	4	83.55	1	1	0	-1.45	0.64099	1.79	1.023	14.006	42.5	1.0902	133.193497887717
Cond-013469	CPD000146393	CPD000146393	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	142.707757948319	O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1.[Na+]	InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1	C15H11N2NaO2	274.25	4	1	46.17	3	2	0	-1.0361	1.57789	2.67	4.891	17.1871	71.7047	1.8478	226.290926847056
Cond-013470	CPD000148117	CPD000148117	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	23.7545155725582	CNCCCC12CCC(c3ccccc13)c1c2cccc1.Cl	InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H	C20H24ClN	313.864	1	1	12.03	2	4	1	-0.714800000000001	3.962	3.55	8.576	37.2033	86.0417000000001	2.334	278.428324418301
Cond-013471	CPD000149316	CPD000149316	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.90200563063	Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3n12	InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3	C17H13ClN4	308.765	4	0	42.55	4	1	1	0.4906	4.30941	2.78	5.444	25.5408	89.135	2.2041	255.932342833234
Cond-013472	CPD000149358	CPD000149358	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	65.441205800104	Clc1ccc2C(=C3CCNCC3)c3ncccc3CCc2c1	InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2	C19H19ClN2	310.821	2	1	24.92	4	0	0	1.0597	4.24138	3.22	3.641	44.8528	91.2017	2.3723	284.703709070234
Cond-013473	CPD000149359	CPD000149359	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.256305061504	CC(O)Cn1c(C)ncc1N(=O)=O	InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3	C7H11N3O3	185.181	6	1	81.19	1	3	0	0.2768	1.4861	1.57	0.477	29.2601	49.5328	1.3328	157.82347700485
Cond-013474	CPD000149600	CPD000149600	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.808541047789	C(C1=NCCN1)c1ccccc1.Cl	InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H	C10H13ClN2	196.677	2	1	24.39	2	2	0	-0.6428	1.12849	2.34	3.13	22.4854	51.2657	1.328	157.351073171
Cond-013475	CPD000156231	CPD000156231	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	26.1846409395112	COc1ccc(cc1OC)c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1	InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3	C21H22O8	402.395	8	0	81.68	3	7	0	-0.814400000000001	3.64087	2.89	1.792	60.4311	109.152	2.8673	362.132903739691
Cond-013476	CPD000238142	CPD000238142	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.241417422833	NC1=NC(=O)C(O1)c1ccccc1	InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)	C9H8N2O2	176.172	4	2	64.68	2	1	0	-0.8526	0.38968	2.01	2.471	18.1142	50.1774	1.2615	154.999083245456
Cond-013477	CPD000238156	CPD000238156	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.2577743521706	CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1	InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3	C17H26ClN	279.848	1	0	3.24	2	5	1	1.2072	4.738	3.11	5.608	57.2874	83.9110000000001	2.3799	285.273731815134
Cond-013478	CPD000238177	CPD000238177	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	71.2319815586209	CN1C(=O)CN=C(c2ccccc2)c2cc(ccc12)N(=O)=O	InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	C16H13N3O3	295.293	6	0	75.81	3	2	0	-0.1798	3.02858	2.56	3.643	28.1933	88.995	2.1257	262.055669031251
Cond-013479	CPD000238180	CPD000238180	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	102.40230166849	CCN(C(=O)C)c1cccc(c1)c1ccnc2c(C#N)cnn12	InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	C17H15N5O	305.334	6	0	74.29	3	4	0	-0.2243	3.16058	2.67	2.209	31.953	90.282	2.3058	270.228261971529
Cond-013480	CPD000238198	CPD000238198	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	34.8884835939032	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1	C20H32O2	304.467	2	1	37.3	4	0	0	0.766499999999999	4.58309000000001	3.44	4.915	86.0309	90.6008000000001	2.5666	319.994311115257
Cond-013481	CPD000238204	CPD000238204	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.01392363723354	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C	InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1	C20H32O	288.467	1	1	20.23	4	1	1	0.2521	5.01649000000001	3.55	6.09	83.0036	86.6738000000001	2.5079	311.204084414696
Cond-013482	CPD000238204	CPD000238204	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.6676716397441	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C	InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1	C20H32O	288.467	1	1	20.23	4	1	1	0.2521	5.01649000000001	3.55	6.09	83.0036	86.6738000000001	2.5079	311.204084414696
Cond-013483	CPD000274084	CPD000274084	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.947166349274	CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O	InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)	C16H18N2O5S	350.39	7	2	121.24	3	6	0	-0.8626	1.43178	2.34	1.988	59.668	92.8995	2.4358	305.957762384207
Cond-013484	CPD000312779	CPD000312779	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	14.7005202290246	Oc1c(Cl)cc(Cl)c2cccnc12	InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H	C9H5Cl2NO	214.048	2	1	33.12	2	0	0	1.0283	3.61779	2.01	2.046	13.7958	55.847	1.3478	154.734231877595
Cond-013485	CPD000312779	CPD000312779	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	86.3853615595993	Oc1c(Cl)cc(Cl)c2cccnc12	InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H	C9H5Cl2NO	214.048	2	1	33.12	2	0	0	1.0283	3.61779	2.01	2.046	13.7958	55.847	1.3478	154.734231877595
Cond-013486	CPD000326694	CPD000326694	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.805260967363	COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1.O.Br	InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1	C18H28BrNO2	370.324	2	0	12.47	4	1	0	-0.591000000000001	3.88419	3.22	4.207	53.9015	83.4300000000001	2.2399	271.435957969529
Cond-013487	CPD000326711	CPD000326711	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.749348005111	CC(N)COc1c(C)cccc1C.Cl	InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H	C11H18ClNO	215.72	2	2	35.25	1	3	0	0.3925	2.02414	2.45	2.471	30.8542	55.1934	1.5794	187.433441690861
Cond-013488	CPD000326718	CPD000326718	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.1938143502818	CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c1ccc(cc1)S(=O)C	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	C20H17FO3S	356.411	3	1	73.58	3	4	0	0.8466	4.99077	3.11	4.258	49.9819	98.3543000000001	2.5711	322.825909818124
Cond-013489	CPD000326766	CPD000326766	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.8228231833232	[O-]C1=NC(=O)CN1/N=C/c1ccc(o1)c1ccc(cc1)N(=O)=O.[Na+]	InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;	C14H9N4NaO5	336.235	9	0	124.37	3	4	0	-1.252	1.11226	2.01	3.484	31.0633	87.923	2.0396	254.722684038406
Cond-013490	CPD000326785	CPD000326785	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.223676997475	CCC1(CCC(=O)NC1=O)c1ccc(N)cc1	InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	C13H16N2O2	232.278	4	3	72.19	2	2	0	-1.4739	1.58709	2.45	1.273	38.9907	68.4501	1.8251	224.183021748923
Cond-013491	CPD000326795	CPD000326795	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	119.199345041494	COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl	InChI=1S/C24H33N3O4.ClH/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3;/h4-10,20,28H,11-17H2,1-3H3,(H,25,29);1H	C24H34ClN3O4	463.997	7	2	74.27	3	10	0	-0.173199999999999	3.13672	3.33	2.671	71.9743	125.5405	3.3976	414.486690140347
Cond-013492	CPD000326828	CPD000326828	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.716618913556	CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1.Cl	InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H	C12H21ClN2O3S	308.825	5	3	86.81	1	6	0	-1.7015	1.26229	2.12	1.264	46.0083	67.9252	2.101	251.815663983617
Cond-013493	CPD000326935	CPD000326935	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	70.0484778992082	CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1.Cl	InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1	C17H19Cl2NO	324.245	2	1	23.47	3	1	0	0.644000000000001	4.01929	3	4.87	34.224	84.095	2.201	262.898123712495
Cond-013494	CPD000326936	CPD000326936	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.765408378207	CN(C)CCCC1(OCc2cc(C#N)ccc12)c1ccc(F)cc1.Br	InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H	C20H22BrFN2O	405.304	3	0	36.26	3	5	0	0.284000000000002	2.96589	3.22	3.956	42.0724	89.965	2.5328	311.366411476536
Cond-013495	CPD000336944	CPD000336944	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.81176264469423	CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1	C23H34O5	390.513	5	1	72.83	3	7	0	-0.520599999999999	4.03577000000001	3.44	4.07	100.0218	108.9938	3.145	402.700027692941
Cond-013496	CPD000336944	CPD000336944	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	80.965938687314	CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1	C23H34O5	390.513	5	1	72.83	3	7	0	-0.520599999999999	4.03577000000001	3.44	4.07	100.0218	108.9938	3.145	402.700027692941
Cond-013497	CPD000338536	CPD000338536	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.610091438443	CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(=O)O	InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	C16H17N3O4S	347.389	7	4	138.03	3	5	0	-1.3717	0.26388	2.34	-0.756	62.5815	90.9239	2.4339	305.527837191012
Cond-013498	CPD000339803	CPD000339803	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.740741767778	CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3	C22H29FO5	392.461	5	3	94.83	4	2	0	-0.943999999999999	1.98197	3.22	1.138	101.2953	102.6474	2.9132	379.115143216581
Cond-013499	CPD000387024	CPD000387024	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.1323551790719	CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1.CS(=O)(=O)O	InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)	C18H24FN3O6S	429.463	6	1	64.09	3	3	0	0.2683	2.25577	2.56	2.107	65.008	92.5763000000001	2.4133	304.228588609824
Cond-013500	CPD000387107	CPD000387107	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.3691842099263	Oc1ccc(cc1CC=C)c1cc(CC=C)ccc1O	InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2	C18H18O2	266.334	2	2	40.46	2	5	1	1.1368	4.86376	3.22	5.024	34.9328	88.192	2.201	269.860048359523
Cond-013501	CPD000387107	CPD000387107	5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	42.9627128550534	Oc1ccc(cc1CC=C)c1cc(CC=C)ccc1O	InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2	C18H18O2	266.334	2	2	40.46	2	5	1	1.1368	4.86376	3.22	5.024	34.9328	88.192	2.201	269.860048359523
Cond-013502	CPD000394012	CPD000394012	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.9330747705714	CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.CS(=O)(=O)O	InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)	C22H29NO4S	403.535	2	0	12.47	4	4	1	-1.3922	4.06	3.55	6.849	35.4518	91.7020000000001	2.5336	304.514535744729
Cond-013503	CPD000427366	CPD000427366	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.873334720863	Cn1cnc(N(=O)=O)c1Sc1[nH]cnc2ncnc12	InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)	C9H7N7O2S	277.263	9	1	140.72	3	3	0	0.9458	1.32826	1.35	0.253	23.5782	66.818	1.7294	189.062532241489
Cond-013504	CPD000436311	CPD000436311	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.482045870739	CC(N)C12CC3CC(CC(C3)C1)C2.Cl	InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H	C12H22ClN	215.763	1	2	26.02	0	1	0	-0.886299999999999	2.55	2.67	3.578	53.4076	54.2544	1.5734	190.035658316967
Cond-013505	CPD000440694	CPD000440694	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.23068153210679	COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1	InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	C16H16O3	256.296	3	1	38.69	2	4	0	-0.0961000000000004	3.65878	2.89	4.474	27.5148	77.146	2.0209	246.69476450915
Cond-013506	CPD000449266	CPD000449266	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.344269458228	CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1.Cl	InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1	C15H23ClN2O	282.809	3	2	46.33	2	6	0	-1.0224	2.00529	2.78	3.11	46.5347	76.4524	2.0912	252.621223000895
Cond-013507	CPD000449267	CPD000449267	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.283374463108	COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24.Br	InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1	C17H22BrNO3	368.265	4	1	41.93	4	1	0	-0.562700000000001	1.43699	2.89	1.062	56.6169	78.7768000000001	2.1734	269.083968043984
Cond-013508	CPD000449268	CPD000449268	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.278160020717	COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1.O.Cl	InChI=1S/C19H25N5O4.ClH.H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H;1H2	C19H28ClN5O5	441.909	9	2	103.04	4	5	0	-2.3043	2.22297	2.56	0.0850000000000002	63.5193	109.5294	2.8271	340.280287427347
Cond-013509	CPD000449269	CPD000449269	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	42.5564989104488	CNCCCCOc1ccccc1Cc1ccccc1.Cl	InChI=1S/C18H23NO.ClH/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16;/h2-6,9-12,19H,7-8,13-15H2,1H3;1H	C18H24ClNO	305.842	2	1	21.26	2	8	1	-0.5688	4.0237	3.22	6.481	30.4644	85.6517000000001	2.3281	277.339499268729
Cond-013510	CPD000449270	CPD000449270	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.372428898753	CN(C)CC/C=C\1/c2ccccc2COc2ccccc12.Cl	InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11-;	C19H22ClNO	315.837	2	0	12.47	3	3	1	0.0710999999999987	3.94098	3.33	5.105	37.345	87.7090000000001	2.3174	279.642566492996
Cond-013511	CPD000449271	CPD000449271	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.46425252419	COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2.O.Cl	InChI=1S/C15H20ClN3O2.ClH.H2O/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19;;/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20);1H;1H2	C15H23Cl2N3O3	364.267	5	3	67.59	1	4	0	-1.5767	1.72319	2.45	0.863	53.6535	85.8561	2.2635	275.262818979256
Cond-013512	CPD000449272	CPD000449272	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	50.0546058758722	CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC.O	InChI=1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29);1H2/t20-,22+;/m1./s1	C23H31ClFN3O5	483.961	7	3	86.05	3	10	0	-1.0356	3.82728	3	2.789	68.7682	127.1191	3.3968	418.46933213522
Cond-013513	CPD000449273	CPD000449273	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.48550770394905	CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1.Cl	InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1	C16H16Cl3N	328.664	1	1	12.03	3	2	1	1.2448	4.4317	2.89	5.305	31.8573	79.4597	2.1238	252.0229801565
Cond-013514	CPD000449273	CPD000449273	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	54.6144755113107	CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1.Cl	InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1	C16H16Cl3N	328.664	1	1	12.03	3	2	1	1.2448	4.4317	2.89	5.305	31.8573	79.4597	2.1238	252.0229801565
Cond-013515	CPD000449273	CPD000449273	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	78.2824349025167	CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1.Cl	InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1	C16H16Cl3N	328.664	1	1	12.03	3	2	1	1.2448	4.4317	2.89	5.305	31.8573	79.4597	2.1238	252.0229801565
Cond-013516	CPD000449274	CPD000449274	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	27.5602793461296	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1	InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-	C26H37NO2	395.577	3	2	49.33	1	16	2	0.408599999999998	8.01514000000001	3.99	9.508	96.8746	127.5465	3.5366	442.481144275425
Cond-013517	CPD000449275	CPD000449275	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.443497333903	CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC	InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	C15H20Cl2N2O3	347.237	5	2	61.8	2	6	0	0.1044	2.89009	2.34	2.285	60.0871	90.3025	2.4534	300.623811942884
Cond-013518	CPD000449276	CPD000449276	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	76.5437273523447	CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1.Br	InChI=1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H	C17H19Br2NO	413.147	2	1	23.47	3	1	1	0.788500000000001	4.12839	3	5.208	37.2075	86.7850000000001	2.2536	266.970674919629
Cond-013519	CPD000449277	CPD000449277	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.611778950247	C1CNC(C1)c1cccnc1	InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2	C9H12N2	148.205	2	1	24.92	2	1	0	-1.0352	1.165	2.23	1.246	17.2333	43.4367	1.2301	142.691547245934
Cond-013520	CPD000449278	CPD000449278	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.281858533187	CN1[C@@H](CCC1=O)c1cccnc1	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1	C10H12N2O	176.215	3	0	33.2	2	1	0	-0.836100000000001	1.26769	2.23	0.746	23.9969	51.447	1.3867	166.141299871561
Cond-013521	CPD000449279	CPD000449279	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	62.1006533741232	CC(C)(C)C(O)/C=C/c1ccc2OCOc2c1	InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+	C14H18O3	234.291	3	1	38.69	2	3	0	1.2106	3.15358	2.67	3.157	42.88	68.0598000000001	1.8681	230.912171359817
Cond-013522	CPD000449280	CPD000449280	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	41.5713496017686	COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12	InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3	C24H26N2O4	406.474	6	3	75.74	4	10	0	-1.6651	4.66287000000001	3.44	4.063	41.9653	124.2605	3.1032	364.06055382978
Cond-013523	CPD000449281	CPD000449281	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.058723393516	OC1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45.Cl	InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15?,16-,19?,20+,21-;/m1./s1	C21H28ClNO4	393.904	5	3	73.16	6	2	0	-2.1018	2.07789	3.22	1.447	68.0511	97.8336000000001	2.6215	324.981674547213
Cond-013524	CPD000449282	CPD000449282	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.44770193877337	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1	InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	C18H19NOS	297.415	2	1	49.5	3	6	1	-0.2084	4.30289	3.11	5.835	29.431	88.2807000000001	2.34	269.955605924729
Cond-013525	CPD000449282	CPD000449282	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	92.7990550144733	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1	InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	C18H19NOS	297.415	2	1	49.5	3	6	1	-0.2084	4.30289	3.11	5.835	29.431	88.2807000000001	2.34	269.955605924729
Cond-013526	CPD000449283	CPD000449283	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	22.282725320052	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.Cl	InChI=1S/C21H23ClFNO2.ClH/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;/h3-10,26H,1-2,11-15H2;1H	C21H24Cl2FNO2	412.325	3	1	40.54	3	6	0	-0.566200000000001	4.05289	3.22	4.497	47.0203	103.2308	2.798	344.30338906603
Cond-013527	CPD000449284	CPD000449284	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	50.3066436844353	Nc1nc2ccc(Cl)cc2c2nc(nn12)c1ccco1	InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	C13H8ClN5O	285.689	6	2	82.24	4	1	0	-0.1465	4.03707	2.12	2.204	14.3548	79.4194	1.842	198.271849939295
Cond-013528	CPD000449286	CPD000449286	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.457290755592	CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1.OS(=O)(=O)O	InChI=1S/C15H21N3O2.H2O4S/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t13?,15-;/m0./s1	C15H23N3O6S	373.425	5	1	44.81	3	3	0	0.9209	2.39977	2.56	2.093	52.143	83.6547	2.1411	260.051751208823
Cond-013529	CPD000449287	CPD000449287	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	95.9884016563812	CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.O.Cl	InChI=1S/C20H24N2OS.ClH.H2O/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17;;/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23);1H;1H2/b14-13+;;	C20H27ClN2O2S	394.959	3	1	57.64	2	9	1	0.2699	5.03357	3.22	6.539	52.1059	106.8667	2.7872	336.16433538463
Cond-013530	CPD000449288	CPD000449288	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.26480185537	Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	C22H18O11	458.372	11	8	197.37	4	4	1	-3.966	1.86049000000001	2.67	0.694	40.0888	111.1644	2.98970000000001	377.270192364841
Cond-013531	CPD000449290	CPD000449290	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.1707956473838	COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1.O	InChI=1S/C19H16ClNO4.H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;/h3-9H,10H2,1-2H3,(H,22,23);1H2	C19H18ClNO5	375.803	5	1	68.53	3	5	0	0.292199999999999	4.286	2.89	3.758	37.8739	98.9343000000001	2.5299	305.051396963512
Cond-013532	CPD000449291	CPD000449291	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	45.0574058103681	CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc1ccccn1.O	InChI=1S/C15H13N3O4S.H2O/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;/h2-9,19H,1H3,(H,16,17,20);1H2	C15H15N3O5S	349.362	7	2	107.98	3	3	0	-2.0111	2.18427	2.23	3.394	35.5316	80.8175	2.25	274.695393864345
Cond-013533	CPD000449292	CPD000449292	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	60.1050402640756	COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC.Cl	InChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H	C24H30ClNO3	415.953	4	0	38.77	4	6	0	-0.962600000000002	3.98999000000001	3.66	4.804	58.8798	112.396	3.0307	371.346484322652
Cond-013534	CPD000449294	CPD000449294	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	33.5083569811908	COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-	C18H27NO3	305.412	4	2	58.56	1	10	0	-0.380199999999998	3.61018000000001	3	4.233	61.4447	91.1685000000001	2.5971	320.812870071451
Cond-013535	CPD000449296	CPD000449296	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	40.6410130676284	CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O.OC(C(O)C(=O)O)C(=O)O	InChI=1S/C21H27NO2.C4H6O6.H2O/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10;/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);1H2	C25H35NO9	493.547	3	2	43.7	3	5	1	-1.4946	3.79829000000001	3.44	6.011	43.5267	98.6128000000001	2.7009	325.661221146091
Cond-013536	CPD000449297	CPD000449297	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.22440094587202	CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1.Cl	InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H	C25H33Cl2N5O2	506.468	7	0	51.62	4	10	0	-0.0854999999999986	5.41806000000001	3.33	4.993	80.229	139.936	3.5915	436.413892150258
Cond-013537	CPD000449297	CPD000449297	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.467444258459	CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1.Cl	InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H	C25H33Cl2N5O2	506.468	7	0	51.62	4	10	0	-0.0854999999999986	5.41806000000001	3.33	4.993	80.229	139.936	3.5915	436.413892150258
Cond-013538	CPD000449298	CPD000449298	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.988321610995	CCCN[C@H]1CCc2nc(N)sc2C1	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1	C10H17N3S	211.327	3	3	79.18	2	3	0	-0.632	1.44498	2.12	1.252	44.0512	58.2261	1.6773	192.129774838367
Cond-013539	CPD000449299	CPD000449299	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.014283732376	NC1CCN(CC1)c1cccc(Cl)n1.Cl	InChI=1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H	C10H15Cl2N3	248.152	3	2	42.15	2	1	0	-0.8062	2.06769	2.12	1.747	31.8678	59.7104	1.5932	186.1953598504
Cond-013540	CPD000449301	CPD000449301	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	96.4798808287695	COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1.O.Cl	InChI=1S/C19H21N5O4.ClH.H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H;1H2	C19H24ClN5O5	437.877	9	2	106.95	4	5	0	-1.5828	2.68527	2.56	0.717	49.6611	108.3654	2.7411	324.107370025746
Cond-013541	CPD000449302	CPD000449302	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.934976506291	C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1.O.Cl	InChI=1S/C16H18N4O2.ClH.H2O/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;;/h1-5,10H,6-9,11-12H2;1H;1H2	C16H21ClN4O3	352.816	6	0	50.72	4	3	0	-0.218299999999999	2.09398	2.56	1.52	36.8291	84.433	2.1872	259.815119940456
Cond-013542	CPD000449303	CPD000449303	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	75.0925276738663	CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12	InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3	C19H20FN3	309.381	3	0	18.84	4	1	1	0.621200000000001	2.10088	3.11	5.238	41.6156	92.286	2.3674	286.556960358274
Cond-013543	CPD000449305	CPD000449305	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.823071854492	FC(F)(F)c1cccc(c1)N1CCNCC1.Cl	InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H	C11H14ClF3N2	266.69	2	1	15.27	2	2	0	0.7373	1.7739	2.12	2.913	31.4814	55.7487	1.565	195.486193048586
Cond-013544	CPD000449307	CPD000449307	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.412913420771	NC(=O)OCC(COC(=O)N)c1ccccc1.O	InChI=1S/C11H14N2O4.H2O/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15);1H2	C11H16N2O5	256.255	6	4	104.64	1	7	0	-0.4509	0.55879	2.01	2.078	29.8128	63.1078	1.7693	219.527964599111
Cond-013545	CPD000449308	CPD000449308	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.430047176848	COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C.Cl	InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1	C16H26ClNO2	299.836	3	1	32.7	2	4	0	-0.9385	2.2935	2.89	2.881	48.7166	76.6248000000001	2.234	270.347132819956
Cond-013546	CPD000449309	CPD000449309	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.245601008599	CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC	InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)	C17H27N3O4S	369.479	7	3	110.11	2	8	0	-1.7463	2.33429	2.45	1.53	69.1455	100.8011	2.8124	343.08965662008
Cond-013547	CPD000449310	CPD000449310	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.116437638725	CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12	InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	C16H21N3O2	287.357	5	2	57.36	3	5	0	0.00420000000000109	1.03899	2.67	1.684	48.5237	85.8187	2.239	263.81127713389
Cond-013548	CPD000449311	CPD000449311	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	22.4943284075668	Nc1nc2ccc(OC(F)(F)F)cc2s1.Cl	InChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H	C8H6ClF3N2OS	270.659	3	2	76.38	2	2	0	1.9252	3.14067	1.57	2.418	20.4424	50.3694	1.3215	157.361031228347
Cond-013549	CPD000449312	CPD000449312	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.560616428092	Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2c([nH]1)cccc2.O.Cl	InChI=1S/C26H26N2O3.ClH.H2O/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;;/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2;1H;1H2/t20?,24-,25-,26+;;/m0../s1	C26H29ClN2O4	468.972	5	3	68.72	8	2	0	-1.3699	3.52538000000001	3.77	3.195	59.8682	119.6268	2.9779	356.609378979352
Cond-013550	CPD000449313	CPD000449313	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.7156199244759	COc1cc(ccc1OC(F)F)c1ccc(O)nn1	InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)	C12H10F2N2O3	268.216	5	1	64.47	2	4	0	0.258	3.41358	2.01	2.646	17.202	66.3028	1.7353	214.27592282343
Cond-013551	CPD000449315	CPD000449315	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	110.805306264545	Oc1ncc(F)cn1	InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)	C4H3FN2O	114.078	3	1	46.01	1	0	0	0.0194	0.38758	1.46	-0.04	3.4371	26.8308	0.7106	83.4258683682677
Cond-013552	CPD000449316	CPD000449316	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.96437822574206	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@@H]1O.O	InChI=1S/C10H13N5O3.H2O/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6-,10+;/m0./s1	C10H15N5O4	269.257	8	4	119.31	3	2	0	-2.0564	-0.42681	1.68	-1.637	31.4655	62.925	1.6949	193.455575196384
Cond-013553	CPD000449316	CPD000449316	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	57.5603166417535	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@@H]1O.O	InChI=1S/C10H13N5O3.H2O/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6-,10+;/m0./s1	C10H15N5O4	269.257	8	4	119.31	3	2	0	-2.0564	-0.42681	1.68	-1.637	31.4655	62.925	1.6949	193.455575196384
Cond-013554	CPD000449317	CPD000449317	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.384183577496	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1	C9H13N3O5	243.217	8	5	128.61	2	2	0	-2.9415	-2.84623	1.57	-2.193	52.8227	59.1568	1.6234	208.539440956906
Cond-013555	CPD000449318	CPD000449318	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	69.4614758231011	[Na]OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1	C14H10Cl2NNaO2	318.13	3	1	38.33	2	5	0	1.0119	4.74018	2.34	4.473	25.3721	85.2227	1.9379	NA
Cond-013556	CPD000449319	CPD000449319	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.43510033001884	O=C1C(=C1c1ccccc1)c1ccccc1	InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H	C15H10O	206.239	1	0	17.07	3	2	1	-0.1872	3.12238	3	6.584	13.2244	66.094	1.611	196.825409080562
Cond-013557	CPD000449320	CPD000449320	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	24.3342017811238	CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)	C21H23NO4S	385.477	5	1	97.77	2	12	2	-0.251000000000001	2.87899	3.11	6.346	54.2552	108.5097	2.9614	366.197781203213
Cond-013558	CPD000449321	CPD000449321	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	45.6817617275943	CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1	InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3	C17H23ClO4	326.815	4	0	48.06	2	11	1	-0.460399999999999	4.73608	2.78	3.965	52.9616	90.652	2.4719	306.801419708412
Cond-013559	CPD000449322	CPD000449322	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	68.9700041620096	Nc1c2CCCc2nc2CCCCc12	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)	C12H16N2	188.269	2	2	38.91	3	0	0	-0.9779	3.54478	2.56	2.193	31.5913	58.7734	1.5442	182.223042422734
Cond-013560	CPD000449323	CPD000449323	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.600690924133	COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC.O.Cl	InChI=1S/C27H38N2O4.ClH.H2O/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H;1H2	C27H41ClN2O5	509.078	6	0	63.95	2	13	1	0.1993	5.15929000000001	3.77	4.71	82.598	133.174	3.7861	465.097883809781
Cond-013561	CPD000449324	CPD000449324	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.469459455284	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O	InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1	C20H24N8O6	472.455	13	7	210.54	3	10	1	-2.8974	1.37836	2.23	-2.583	54.4148	123.8716	3.2197	387.630944575074
Cond-013562	CPD000449325	CPD000449325	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.7200726462582	NC(=N)NC(=O)c1nc(Cl)c(N)nc1N.O.Cl	InChI=1S/C6H8ClN7O.ClH.H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;/h(H4,8,9,13)(H4,10,11,14,15);1H;1H2	C6H11Cl2N7O2	284.103	8	8	156.79	1	3	0	-1.5591	-1.11394	1.13	-1.016	30.6876	58.2686	1.5101	176.872230179361
Cond-013563	CPD000449326	CPD000449326	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.88380647284	OC(=O)[C@@H]1CSC(=O)N1	InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1	C4H5NO3S	147.152	4	2	91.7	1	1	0	0.0889	0.12989	1.35	-0.564	30.4904	35.6565	0.917000000000001	115.987485469317
Cond-013564	CPD000449327	CPD000449327	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.937913298153	CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1.O.Br	InChI=1S/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11?,12-,13-,14+,15-,16+;;/m1../s1	C17H24BrNO5	402.28	5	1	62.3	4	5	0	-1.5511	1.15199	2.78	2.496	50.2166	82.6258	2.2321	277.874194744545
Cond-013565	CPD000449328	CPD000449328	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.357197499996	C[C@H](Cc1ccccc1)N(C)CC#C.Cl	InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1	C13H18ClN	223.742	1	0	3.24	1	4	0	0.955299999999999	2.26219	2.78	4.479	35.2331	60.426	1.7165	207.962266840434
Cond-013566	CPD000449329	CPD000449329	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.989075820307	CN=C(N)NCCC[C@H](N)C(=O)O.CC(=O)O	InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1	C9H20N4O4	248.28	6	6	113.73	0	6	0	-2.4147	-1.05351	1.57	-2.956	41.9158	53.6373	1.5255	185.922927914056
Cond-013567	CPD000465669	CPD000465669	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.565509076616	CN(C)CCCC1(OCc2cc(C#N)ccc12)c1ccc(F)cc1	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	C20H21FN2O	324.392	3	0	36.26	3	5	0	0.284000000000002	2.96589	3.22	3.956	42.0724	89.965	2.5328	311.366411476536
Cond-013568	CPD000466268	CPD000466268	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	80.7023418045154	COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F.OC(=O)/C=C\C(=O)O	InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C19H25F3N2O6	434.407	4	2	56.84	1	10	0	-0.469700000000001	2.8604	2.34	3.83	50.7037	77.9364	2.3116	291.970584953176
Cond-013569	CPD000466269	CPD000466269	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.00218446037379	Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1.OC(=O)/C=C\C(=O)O	InChI=1S/C19H20FNO3.C4H4O4/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;5-3(6)1-2-4(7)8/h1-6,9,14,17,21H,7-8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,17-;/m0./s1	C23H24FNO7	445.438	4	1	39.72	4	4	0	-0.991100000000001	3.98917	3	4.062	36.6876	94.4347	2.3869	293.570578744424
Cond-013570	CPD000466270	CPD000466270	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.837096672468	CC(=O)OC1C(C[C@H]2C3CC[C@H]4C[C@H](OC(=O)C)C(CC4(C)[C@H]3CCC12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1.[Br-]	InChI=1S/C35H60N2O4.BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;/h26-33H,7-23H2,1-6H3;1H/q+2;/p-1/t26-,27?,28-,29-,30?,31?,32-,33?,34?,35?;/m0./s1	C35H60BrN2O4+	652.766	6	0	52.6	6	6	1	-3.4624	6.34439000000001	4.65	6.586	145.722	163.9588	4.7799	594.295136919112
Cond-013571	CPD000466271	CPD000466271	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	106.676977236423	CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O	InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C20H23ClN2O4	390.861	2	0	16.13	2	5	0	0.6514	4.2618	2.89	4.288	31.1037	81.083	2.2098	260.165131295034
Cond-013572	CPD000466272	CPD000466272	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	7.87616555609222	CN1CCC(=C2c3ccsc3CCc3ccccc23)CC1.OC(=O)/C=C\C(=O)O	InChI=1S/C19H21NS.C4H4O4/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-3(6)1-2-4(7)8/h2-5,10,13H,6-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C23H25NO4S	411.514	1	0	31.48	4	0	1	1.6351	3.59437	3.33	5.17	51.9118	86.1460000000001	2.3566	279.641363850035
Cond-013573	CPD000466272	CPD000466272	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	91.3919368904779	CN1CCC(=C2c3ccsc3CCc3ccccc23)CC1.OC(=O)/C=C\C(=O)O	InChI=1S/C19H21NS.C4H4O4/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-3(6)1-2-4(7)8/h2-5,10,13H,6-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C23H25NO4S	411.514	1	0	31.48	4	0	1	1.6351	3.59437	3.33	5.17	51.9118	86.1460000000001	2.3566	279.641363850035
Cond-013574	CPD000466274	CPD000466274	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.8334857166807	CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(=O)C.OS(=O)(=O)c1ccccc1	InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)	C27H32N2O4S3	544.749	3	0	68.06	4	4	0	-0.878800000000001	5.72698000000001	3.22	3.6	58.6168	107.4425	2.9604	352.529344068097
Cond-013575	CPD000466275	CPD000466275	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.27127613001764	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1.OC(=O)/C=C\C(=O)O	InChI=1S/C20H24ClN3S.C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28ClN3O4S	490.015	3	0	35.02	4	4	0	1.2584	5.10729	3.11	4.1	58.9846	108.001	2.8195	334.141936662669
Cond-013576	CPD000466275	CPD000466275	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.6983278921175	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1.OC(=O)/C=C\C(=O)O	InChI=1S/C20H24ClN3S.C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C24H28ClN3O4S	490.015	3	0	35.02	4	4	0	1.2584	5.10729	3.11	4.1	58.9846	108.001	2.8195	334.141936662669
Cond-013577	CPD000466276	CPD000466276	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.654098342276	Clc1cccc(Cl)c1NC1=NCCN1.Cl	InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H	C9H10Cl3N3	266.555	3	2	36.42	2	2	0	0.8181	2.86228	1.9	2.396	31.6685	61.4474	1.5317	181.473984294167
Cond-013578	CPD000466277	CPD000466277	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	59.0668499991191	CCOC(=O)c1cncn1[C@H](C)c1ccccc1	InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1	C14H16N2O2	244.289	4	0	44.12	2	5	0	0.2757	3.08069	2.56	3.867	28.4768	71.84	1.923	227.942547673989
Cond-013579	CPD000466278	CPD000466278	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	88.3071397589383	CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c2c1	InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	C27H34ClNO2S	472.082	3	1	67.53	3	8	1	3.9618	7.94958000000001	3.88	8.343	80.3862	136.4928	3.7462	446.984303327725
Cond-013580	CPD000466279	CPD000466279	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	57.110647618029	O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1.O.Cl	InChI=1S/C26H21N3O.ClH.H2O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22;;/h1-17H,18-19H2;1H;1H2	C26H24ClN3O2	445.941	4	0	46.09	5	5	1	-0.0922000000000003	5.25847	3.88	6.369	19.264	120.433	3.0281	360.376309683997
Cond-013581	CPD000466280	CPD000466280	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.394513975108	CCN(CC)CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2cccnc12	InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	C24H31N5O2	421.535	7	1	68.78	4	7	0	-1.6308	4.60387000000001	3.33	3.519	66.7791	126.4667	3.3282	403.906839753958
Cond-013582	CPD000466281	CPD000466281	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	64.5509347436158	CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.Cl	InChI=1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H	C17H21ClN2O	304.814	3	3	55.12	2	6	1	-1.1107	2.11219	3	5.656	29.0157	83.6021	2.244	268.403816150229
Cond-013583	CPD000466283	CPD000466283	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	40.9901459413489	Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)c3ccccc3[nH]c2=S)CC1.O.Cl	InChI=1S/C22H22FN3O2S.ClH.H2O/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;;/h1-8,16H,9-14H2,(H,24,29);1H;1H2	C22H25ClFN3O3S	465.969	5	1	84.74	4	5	0	-0.297299999999999	3.54159	3.11	3.841	60.2851	116.6152	2.985	369.261474292997
Cond-013584	CPD000466284	CPD000466284	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	26.1879446529521	Cc1c(nn(c1c1ccc(I)cc1)c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1	InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	C22H21Cl2IN4O	555.239	5	1	49.64	4	5	1	2.1015	6.11031	3	5.876	62.0762	133.9217	3.3479	391.690362103829
Cond-013585	CPD000466285	CPD000466285	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.522677599249	CN1C(=O)COc2c(cc(Cl)cc12)C(=O)NC1CN2CCC1CC2.Cl	InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H	C17H21Cl2N3O3	386.273	6	1	61.88	2	3	0	-1.6634	1.48759	2.56	0.743	61.4349	93.7967	2.4524	303.652097529951
Cond-013586	CPD000466286	CPD000466286	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.2303148158305	Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O.O.Cl	InChI=1S/C17H17NO2.ClH.H2O/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14;;/h1-4,7-8,14,17-20H,5-6,9H2;1H;1H2/t14-,17-;;/m1../s1	C17H20ClNO3	321.799	3	3	52.49	4	0	0	-1.7363	2.66209	3	3.453	28.096	77.7415	2.0287	244.120823941823
Cond-013587	CPD000466287	CPD000466287	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.5025668921509	COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1.OC(=O)/C=C/C(=O)O	InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	C23H29Cl2N3O7	530.398	6	0	53.09	3	7	0	0.363300000000001	2.50889	2.67	2.148	78.1037	108.173	2.9652	365.811593252919
Cond-013588	CPD000466288	CPD000466288	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.41362660026	CCC(C)(C)NC(=NC#N)Nc1cccnc1	InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)	C12H17N5	231.297	5	2	73.1	1	5	0	0.0227999999999997	2.67277	2.23	2.356	40.4336	70.9894	1.9318	232.016864346434
Cond-013589	CPD000466289	CPD000466289	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.1035041887433	CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc1c[nH]cn1.OC(=O)/C=C\C(=O)O	InChI=1S/C19H25F3N4O.C4H4O4/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22;5-3(6)1-2-4(7)8/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1-	C23H29F3N4O5	498.495	5	3	69.81	2	12	1	-1.4822	4.15918	2.67	4.247	50.6805	101.4384	2.8215	345.828441070016
Cond-013590	CPD000466290	CPD000466290	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.471010226861	CS(=O)(=O)Nc1ccc(Cc2noc(n2)c2ccc3[nH]cc(CCN)c3c2)cc1.O	InChI=1S/C20H21N5O3S.H2O/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18;/h2-7,11-12,22,25H,8-10,21H2,1H3;1H2	C20H23N5O4S	429.493	8	4	135.28	4	7	0	-1.829	2.50028	2.67	2.901	40.0089	110.2181	2.9438	337.585693307852
Cond-013591	CPD000466291	CPD000466291	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.591317540067	Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(=O)(=O)C)cc2)n1.Cl	InChI=1S/C21H27N3O3S.ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;/h3-9,18,23H,10-15H2,1-2H3;1H	C21H28ClN3O3S	437.983	6	1	87.75	3	7	0	-1.6192	4.12761000000001	3	3.43	57.3078	114.3567	3.0797	372.317533619786
Cond-013592	CPD000466292	CPD000466292	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.3378578551288	CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC	InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)	C22H27N3O2	365.469	5	1	65.36	3	8	0	-1.755	4.28138	3.33	4.138	58.9335	110.6302	2.9554	359.677808786691
Cond-013593	CPD000466293	CPD000466293	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.50414791359271	C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1.O.Cl	InChI=1S/C21H27N3.ClH.H2O/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;1H;1H2/t16-,17+;;	C21H30ClN3O	375.935	3	1	20.2	4	4	0	-0.633799999999999	4.27199000000001	3.44	4.852	49.4496	103.6017	2.6745	306.817829460502
Cond-013594	CPD000466293	CPD000466293	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	92.6283709427099	C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1.O.Cl	InChI=1S/C21H27N3.ClH.H2O/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;1H;1H2/t16-,17+;;	C21H30ClN3O	375.935	3	1	20.2	4	4	0	-0.633799999999999	4.27199000000001	3.44	4.852	49.4496	103.6017	2.6745	306.817829460502
Cond-013595	CPD000466294	CPD000466294	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	91.5939953751947	COc1ccc2[nH]cc(C3=CCNCC3)c2c1.OC(=O)CCC(=O)O	InChI=1S/C14H16N2O.C4H6O4/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)	C18H22N2O5	346.378	3	2	37.05	3	2	0	-0.341600000000001	2.38938	2.67	1.335	36.8905	71.7457	1.7987	209.432320973428
Cond-013596	CPD000466295	CPD000466295	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	20.6297459217444	OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1	InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	C25H37NO4	415.566	5	4	81.95	2	16	2	-3.6134	3.85210000000001	3.66	5.941	61.9068	121.6773	3.4905	424.782071751481
Cond-013597	CPD000466296	CPD000466296	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	62.9059232048956	CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1.O.Br	InChI=1S/C23H24N2O.BrH.H2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22;;/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3;1H;1H2/t19-,23+;;/m0../s1	C23H27BrN2O2	443.377	3	1	36.36	5	1	1	-0.0994999999999997	4.70448000000001	3.66	5.257	39.968	108	2.7206	321.57388910223
Cond-013598	CPD000466297	CPD000466297	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.1644287373808	CC(=C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O.O.Cl	InChI=1S/C26H26N2O3.ClH.H2O/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22;;/h3-8,20,24,27,29-30H,1,9-13H2,2H3;1H;1H2/t20?,24-,25-,26+;;/m0../s1	C26H29ClN2O4	468.972	5	3	68.72	7	2	0	-0.421100000000002	3.61767000000001	3.77	2.923	62.591	121.4468	3.0435	366.329378979352
Cond-013599	CPD000466298	CPD000466298	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	66.2893125604597	CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12.Cl	InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1	C17H18Cl3N	342.691	1	1	12.03	3	2	1	0.956799999999999	4.8218	3	5.874	34.7689	84.0767	2.2647	269.318964782367
Cond-013600	CPD000466298	CPD000466298	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.72896323253953	CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12.Cl	InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1	C17H18Cl3N	342.691	1	1	12.03	3	2	1	0.956799999999999	4.8218	3	5.874	34.7689	84.0767	2.2647	269.318964782367
Cond-013601	CPD000466298	CPD000466298	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	68.0432288158721	CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12.Cl	InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1	C17H18Cl3N	342.691	1	1	12.03	3	2	1	0.956799999999999	4.8218	3	5.874	34.7689	84.0767	2.2647	269.318964782367
Cond-013602	CPD000466299	CPD000466299	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	75.0160856600904	CS(=O)(=O)c1ccc(cc1)c1cc(Br)sc1c1ccc(F)cc1	InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	C17H12BrFO2S2	411.308	2	0	70.76	3	3	1	1.4926	5.45548	2.67	5.586	31.9231	89.9750000000001	2.4712	291.67683097593
Cond-013603	CPD000466300	CPD000466300	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.9517046817576	CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl	InChI=1S/C19H30N2O.ClH/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;/h9-10,14-15,21H,2-8,11-13,20H2,1H3;1H	C19H31ClN2O	338.915	3	3	51.04	2	11	2	-3.0103	4.81739000000001	3.22	5.261	49.2973	97.0384000000001	2.6548	310.905161504363
Cond-013604	CPD000466300	CPD000466300	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	18.5835015283295	CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl	InChI=1S/C19H30N2O.ClH/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;/h9-10,14-15,21H,2-8,11-13,20H2,1H3;1H	C19H31ClN2O	338.915	3	3	51.04	2	11	2	-3.0103	4.81739000000001	3.22	5.261	49.2973	97.0384000000001	2.6548	310.905161504363
Cond-013605	CPD000466301	CPD000466301	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.894929030865	CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	C17H19N5	293.366	5	0	78.29	2	4	0	1.9226	2.80737	2.78	1.885	47.2568	83.341	2.3987	287.330952672568
Cond-013606	CPD000466303	CPD000466303	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	122.181370881373	CC[C@H](N1CCCC1=O)C(=O)N	InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1	C8H14N2O2	170.209	4	2	63.4	1	3	0	-1.905	0.10659	1.9	-0.632	39.1891	47.4634	1.3582	168.868933422789
Cond-013607	CPD000466304	CPD000466304	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	46.2418287436198	CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	C23H36N2O2	372.544	4	2	58.2	4	3	0	0.896500000000001	3.97458	3.55	4.65	103.4245	109.8154	3.1029	388.602868007592
Cond-013608	CPD000466305	CPD000466305	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.39255733774139	CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O	InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1	C27H36N2O4	452.586	6	2	78.87	3	11	2	-0.690700000000003	5.42899000000001	3.77	6.64	73.9943	134.0525	3.6775	452.741425108981
Cond-013609	CPD000466306	CPD000466306	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.505982134914	CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1	InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	C25H28N6O	428.529	7	1	87.13	5	7	1	-1.8485	4.28669000000001	3.44	7.208	54.9532	128.446	3.3156	394.87998178503
Cond-013610	CPD000466307	CPD000466307	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	90.5092536669152	CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]31[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]31C)C(=O)OC4)[C@@H]2O	InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1	C20H24O6	360.401	6	1	84.12	7	1	0	-0.887199999999998	-1.53201	3	-0.00699999999999995	87.1575	61.1138	4.007	315.449383114301
Cond-013611	CPD000466308	CPD000466308	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	12.0234198607964	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-013612	CPD000466308	CPD000466308	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.1317158083262	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1	C27H30ClNO11	579.98	12	7	206.07	5	5	1	-4.4188	0.424480000000002	3.11	-1.679	85.2879	139.1023	3.7284	475.926875702341
Cond-013613	CPD000466309	CPD000466309	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	124.70042998831	COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1	C33H40O15	676.662	15	8	234.29	5	9	2	-3.3928	0.0888600000000079	3.44	1.764	119.2545	167.7004	4.70880000000001	603.866930051617
Cond-013614	CPD000466310	CPD000466310	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	25.5582788380005	C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1	C20H32O2	304.467	2	2	40.46	4	0	0	0.353899999999999	3.98729000000001	3.44	4.059	87.5835	88.0636000000001	2.5666	319.994311115257
Cond-013615	CPD000466311	CPD000466311	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	147.410634165561	Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O	InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H	C16H10N2O2	262.263	4	2	65.45	4	1	0	-1.2501	3.35056	2.78	3.377	17.8137	84.662	1.8586	219.012223421723
Cond-013616	CPD000466313	CPD000466313	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.365468502049	CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1	InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)	C16H20N4O3S	348.42	7	3	108.57	2	7	0	-0.779100000000001	2.96149	2.34	3.367	42.5816	90.3841	2.5836	309.190829399418
Cond-013617	CPD000466314	CPD000466314	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	27.2616227965125	C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O	InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1	C20H24O2	296.403	2	0	34.14	4	0	0	1.6102	4.04196	3.44	3.819	88.1526	88.5790000000001	2.3946	309.448476312057
Cond-013618	CPD000466315	CPD000466315	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	109.058707201902	OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1	C21H25ClN2O3	388.888	5	1	53.01	3	8	0	0.194200000000001	3.02429	3.11	4.214	56.4831	107.7428	2.9388	358.022817124452
Cond-013619	CPD000466316	CPD000466316	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	99.3730155344332	COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C	InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	C31H33N3O6S	575.675	9	2	124.11	5	11	2	-1.1845	6.39979000000001	3.77	5.828	65.9338	154.8919	4.2326	511.952849074536
Cond-013620	CPD000466317	CPD000466317	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.103084536723	Nc1nc(O)c2ncn(CCC(CO)CO)c2n1	InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)	C10H15N5O3	253.258	8	5	130.31	2	5	0	-2.6769	0.691160000000001	1.68	-1.721	34.6649	69.221	1.8035	205.812033897184
Cond-013621	CPD000466318	CPD000466318	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	108.851071332942	CCCCC(=O)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)[C@@H](C(C)C)C(=O)O	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1	C24H29N5O3	435.519	8	2	112.07	3	11	2	-1.3575	3.67099000000001	3.22	7.053	56.5347	126.0738	3.4095	408.880607753719
Cond-013622	CPD000466319	CPD000466319	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	119.471676742851	Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1	InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1	C8H11N3O3S	229.256	6	3	113.45	2	2	0	-1.1353	-0.87733	1.57	-1.094	53.183	59.6012	1.5286	192.172026987517
Cond-013623	CPD000466319	CPD000466319	5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	89.7442265498621	Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1	InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1	C8H11N3O3S	229.256	6	3	113.45	2	2	0	-1.1353	-0.87733	1.57	-1.094	53.183	59.6012	1.5286	192.172026987517
Cond-013624	CPD000466320	CPD000466320	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.98794847811593	CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c1cccc2nonc12)/O	InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,23H,1-5H3/b18-14+	C19H21N3O5	371.387	8	1	107.04	3	5	0	0.155599999999999	3.40646	2.67	2.621	69.6727	101.7638	2.7088	334.160535010774
Cond-013625	CPD000466320	CPD000466320	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	80.171225398297	CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c1cccc2nonc12)/O	InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,23H,1-5H3/b18-14+	C19H21N3O5	371.387	8	1	107.04	3	5	0	0.155599999999999	3.40646	2.67	2.621	69.6727	101.7638	2.7088	334.160535010774
Cond-013626	CPD000466321	CPD000466321	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.280497039747	CN1CC(=O)N2[C@@H](c3[nH]c4ccccc4c3C[C@@H]2C1=O)c1ccc2OCOc2c1	InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	C22H19N3O4	389.404	7	1	74.87	6	1	0	-2.2373	2.51147	3.11	2.233	47.4999	109.754	2.704	326.652427384613
Cond-013627	CPD000466322	CPD000466322	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.899235092678	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c4=NC5(CCN(CC(C)C)CC5)N=c4c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c2c(O)c3C	InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,52-55H,16-19,21H2,1-11H3,(H,47,57)/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1	C46H62N4O11	847.005	15	5	209.04	5	5	1	-0.953199999999999	4.93467000000001	4.87	3.051	193.8621	232.183399999999	6.46730000000002	817.275029415103
Cond-013628	CPD000466323	CPD000466323	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.254900860071	Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12	InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	C23H27FN4O2	410.484	6	0	61.94	5	4	0	-1.1177	4.62405000000001	3.22	2.709	75.4874	119.69	3.0396	371.961653770231
Cond-013629	CPD000466324	CPD000466324	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.318298849176	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c2c(O)c3C	InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1	C43H51N3O11	785.879	14	5	198.9	5	3	1	0.067299999999996	6.79586	4.65	3.647	168.2886	218.0644	5.85880000000002	738.217397927737
Cond-013630	CPD000466325	CPD000466325	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	117.960235597418	CC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1	InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	C12H21NO8S	339.362	9	2	123.92	3	3	0	-1.5374	-0.4434	1.68	-1.204	70.702	66.1914	2.2065	278.866495979056
Cond-013631	CPD000466326	CPD000466326	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	10.4063183010332	CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)c1ccccc1C(=O)O)c1nc2ccccc2n1C	InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	C33H30N4O2	514.617	6	1	72.94	6	7	1	0.0178000000000005	8.53708	4.43	9.765	40.6482	163.2138	3.97830000000001	461.805812871392
Cond-013632	CPD000466326	CPD000466326	5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	77.0828183004459	CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)c1ccccc1C(=O)O)c1nc2ccccc2n1C	InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	C33H30N4O2	514.617	6	1	72.94	6	7	1	0.0178000000000005	8.53708	4.43	9.765	40.6482	163.2138	3.97830000000001	461.805812871392
Cond-013633	CPD000466327	CPD000466327	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	79.3845306525239	Cc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1	InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	C16H14N2O3S	314.359	5	2	94.57	3	3	0	-0.6511	3.27551	2.56	4.1	18.4932	82.2814	2.2324	261.304391581484
Cond-013634	CPD000466329	CPD000466329	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	58.0201494644875	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	C18H14F4N2O4S	430.373	6	2	115.64	2	7	0	0.2584	3.17329	2.23	3.306	44.9011	90.5675	2.7093	349.576822935005
Cond-013635	CPD000466330	CPD000466330	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	97.6416905432218	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)Cl	InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1	C22H27ClF2O5	444.897	5	3	94.83	4	2	0	-0.101700000000002	2.49647	3	1.644	105.4916	107.7224	3.0533	400.393769837321
Cond-013636	CPD000466331	CPD000466331	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.609838724301	CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1	InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	C17H14O4S	314.356	4	0	68.82	3	3	0	-0.3258	3.58078	2.78	4.767	33.2206	85.2	2.2324	276.297082491578
Cond-013637	CPD000466332	CPD000466332	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.733570587095	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c2c(O)c3C	InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1	C47H64N4O12	877.031	16	6	220.15	5	6	2	-2.431	6.30637	4.87	3.223	191.0344	242.893399999999	6.66690000000002	843.361240741531
Cond-013638	CPD000466333	CPD000466333	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	105.883074528034	CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc1ccc(NS(=O)(=O)C)cc1	InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3	C19H27N3O5S2	441.565	8	2	121.57	2	11	1	-1.4166	3.57759000000001	2.45	2.746	62.4788	112.2534	3.2304	388.807959228374
Cond-013639	CPD000466334	CPD000466334	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.6039066525511	O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1	C24H21F2NO3	409.425	4	2	60.77	4	6	1	-0.873899999999999	4.96708000000001	3.44	5.26	32.0965	110.9286	2.9371	364.672225920865
Cond-013640	CPD000466334	CPD000466334	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	78.5012575473793	O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1	C24H21F2NO3	409.425	4	2	60.77	4	6	1	-0.873899999999999	4.96708000000001	3.44	5.26	32.0965	110.9286	2.9371	364.672225920865
Cond-013641	CPD000466335	CPD000466335	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	55.8301445260965	CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1	InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	C16H20FN3O4	337.346	7	1	71.11	3	5	0	-0.350899999999999	1.24868	2.34	0.84	58.7194	89.0087	2.3741	298.359289385319
Cond-013642	CPD000466336	CPD000466336	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	15.0965930031126	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16+,17-,18-,19-/m1/s1	C19H28O8	384.421	8	1	100.52	3	5	0	0.4477	2.83629	2.67	2.925	81.6481	93.0328	2.7349	352.803227991958
Cond-013643	CPD000466336	CPD000466336	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	70.1332863227303	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16+,17-,18-,19-/m1/s1	C19H28O8	384.421	8	1	100.52	3	5	0	0.4477	2.83629	2.67	2.925	81.6481	93.0328	2.7349	352.803227991958
Cond-013644	CPD000466337	CPD000466337	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.055785617271	CCCc1nc(c(C(=O)O)n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(C)(C)O	InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)	C24H26N6O3	446.502	9	3	129.81	4	8	1	-1.0263	3.63099000000001	3.11	6.703	46.184	128.6146	3.3577	393.984450560286
Cond-013645	CPD000466338	CPD000466338	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.009046159679	Cn1nnc2c(ncn2c1=O)C(=O)N	InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)	C6H6N6O2	194.151	8	2	105.94	2	1	0	-0.7394	-0.29931	1.24	-1.943	27.795	47.1344	1.238	147.098170200523
Cond-013646	CPD000466339	CPD000466339	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	119.685280148572	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	C29H53NO5	495.735	6	1	81.7	1	24	2	-4.4218	7.11579000000001	3.99	10.261	113.7603	144.1557	4.3504	544.822071758708
Cond-013647	CPD000466340	CPD000466340	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.751075579296	COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1	InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)	C19H27N5O4	389.449	9	3	111.83	3	9	0	-2.5132	2.51687	2.56	0.511	62.7032	111.6331	2.9357	352.636746128147
Cond-013648	CPD000466341	CPD000466341	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.405648748238	CC(=O)Nc1ccc(CC(=O)O)cc1	InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)	C10H11NO3	193.199	4	2	66.4	1	4	0	-0.829900000000001	1.50599	2.12	1.271	24.6344	55.3285	1.4699	182.444993064517
Cond-013649	CPD000466342	CPD000466342	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	43.6146027724099	CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OCC)c1ccccc1/C=C/C(=O)OC(C)(C)C)/O	InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,29H,8-9H2,1-7H3/b15-14+,24-21+	C26H33NO6	455.543	7	1	94.42	2	10	1	2.1642	5.04405000000001	3.55	6.305	103.1783	130.2408	3.6198	462.649133676069
Cond-013650	CPD000466343	CPD000466343	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.816365581737	N#Cc1ccc(cc1)C(c1ccc(C#N)cc1)n1cncn1	InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	C17H11N5	285.303	5	0	78.29	3	3	0	0.0322	3.15187	2.78	3.014	18.6931	80.548	2.1611	256.165117869367
Cond-013651	CPD000466344	CPD000466344	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.763615942543	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O.Cl	InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1	C23H24ClN3O5	457.907	8	2	103.2	5	3	0	-1.8179	1.82206	3.11	0.501	75.9284	116.6768	3.0122	375.995097411841
Cond-013652	CPD000466345	CPD000466345	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.171562735984	CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12	InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	C17H20N4S	312.432	4	1	59.11	4	1	0	0.295	3.1689	2.78	3.451	52.9681	90.8267	2.3742	278.039675222801
Cond-013653	CPD000466346	CPD000466346	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	8.27886708324087	COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1	InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3	C24H28N2O3	392.491	5	1	45.17	4	7	0	-0.620600000000001	4.43818000000001	3.55	4.94	48.9666	119.5818	3.0875	368.806785830019
Cond-013654	CPD000466346	CPD000466346	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.2620137901623	COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1	InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3	C24H28N2O3	392.491	5	1	45.17	4	7	0	-0.620600000000001	4.43818000000001	3.55	4.94	48.9666	119.5818	3.0875	368.806785830019
Cond-013655	CPD000466347	CPD000466347	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.8284042841091	CN1CCN2C(C1)c1ccccc1Cc1cccnc21	InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3	C17H19N3	265.353	3	0	19.37	4	0	0	0.569299999999999	2.4101	3	3.613	33.6282	80.5770000000001	2.1109	248.533890957034
Cond-013656	CPD000466348	CPD000466348	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.563721495138	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1cccc2CC(C)CNc12	InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	C23H36N6O5S	508.634	11	7	188.59	3	10	1	-3.225	1.34837	2.67	-0.25	95.9093	133.109	3.8213	471.016695597942
Cond-013657	CPD000466350	CPD000466350	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	16.2206120047085	C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	C16H14F3N5O	349.31	6	1	76.72	3	5	0	0.852099999999999	1.49689	2.23	2.193	23.6306	82.0388	2.304	276.407871298181
Cond-013658	CPD000466350	CPD000466350	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	16.448801891744	C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	C16H14F3N5O	349.31	6	1	76.72	3	5	0	0.852099999999999	1.49689	2.23	2.193	23.6306	82.0388	2.304	276.407871298181
Cond-013659	CPD000466351	CPD000466351	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.50093651268129	FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	C14H9ClF3NO2	315.675	3	1	38.33	3	1	0	2.269	4.06438	2.23	4.498	43.4158	71.7287	1.8901	248.903073086375
Cond-013660	CPD000466351	CPD000466351	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.6274822476546	FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	C14H9ClF3NO2	315.675	3	1	38.33	3	1	0	2.269	4.06438	2.23	4.498	43.4158	71.7287	1.8901	248.903073086375
Cond-013661	CPD000466352	CPD000466352	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.577340312134	CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=O)O	InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)	C16H14N2O4	298.293	6	3	102.51	3	2	0	-0.834700000000001	3.29128	2.56	3.354	32.6743	84.7287	2.1276	262.485594224445
Cond-013662	CPD000466353	CPD000466353	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	21.473311433749	C[C@H](/C=C/[C@@H](O)C1CC1)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C	InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1	C27H40O3	412.605	3	3	60.69	4	5	1	0.559899999999998	4.79536000000001	4.1	5.82	120.3701	120.6804	3.4826	441.947054094486
Cond-013663	CPD000466354	CPD000466354	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.17755987159571	CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1	C26H40O5	432.593	5	3	86.99	2	14	2	-2.1966	4.34648000000001	3.77	6.43	90.1287	125.4234	3.6333	453.407981570542
Cond-013664	CPD000466354	CPD000466354	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.4717848691875	CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1	C26H40O5	432.593	5	3	86.99	2	14	2	-2.1966	4.34648000000001	3.77	6.43	90.1287	125.4234	3.6333	453.407981570542
Cond-013665	CPD000466355	CPD000466355	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	10.6827582688578	C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(=O)C.Cl	InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1	C26H28ClNO9	533.955	10	6	176.61	5	3	0	-3.695	1.44348	3.22	-0.205	76.2699	131.1385	3.4701	441.050437675352
Cond-013666	CPD000466355	CPD000466355	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	84.0402491893411	C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(=O)C.Cl	InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1	C26H28ClNO9	533.955	10	6	176.61	5	3	0	-3.695	1.44348	3.22	-0.205	76.2699	131.1385	3.4701	441.050437675352
Cond-013667	CPD000466356	CPD000466356	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	12.0516869050227	CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)C)OC	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19?,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	C44H69NO12	804.018	13	3	178.36	4	7	1	-0.6481	4.65146000000001	4.87	3.309	204.8079	215.025399999999	6.37700000000002	818.178217145031
Cond-013668	CPD000466356	CPD000466356	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	67.9568066955113	CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)C)OC	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19?,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	C44H69NO12	804.018	13	3	178.36	4	7	1	-0.6481	4.65146000000001	4.87	3.309	204.8079	215.025399999999	6.37700000000002	818.178217145031
Cond-013669	CPD000466357	CPD000466357	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	18.1812045548528	CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1	InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)	C14H9Cl3N2OS	359.658	3	1	63.21	3	3	0	2.3513	6.86657	2.23	4.656	35.2561	93.996	2.2434	257.401630940728
Cond-013670	CPD000466357	CPD000466357	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	14.8279250422709	CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1	InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)	C14H9Cl3N2OS	359.658	3	1	63.21	3	3	0	2.3513	6.86657	2.23	4.656	35.2561	93.996	2.2434	257.401630940728
Cond-013671	CPD000466359	CPD000466359	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.011396276052	C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	C18H24N2O5	348.394	7	3	106.94	2	9	0	-2.7448	1.35999	2.67	3.397	59.3596	94.3983000000001	2.6627	334.39716627914
Cond-013672	CPD000466360	CPD000466360	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	90.6731875441479	COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccc(F)cc1	InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)	C16H12FN3O3	313.283	6	2	84.08	3	5	0	-0.1862	3.23267	2.45	3.608	24.008	86.5242	2.1434	257.223227881557
Cond-013673	CPD000466360	CPD000466360	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	14.1626506800443	COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccc(F)cc1	InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)	C16H12FN3O3	313.283	6	2	84.08	3	5	0	-0.1862	3.23267	2.45	3.608	24.008	86.5242	2.1434	257.223227881557
Cond-013674	CPD000466361	CPD000466361	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.435416399928	CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(=O)O	InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1	C15H23N3O3S	325.426	6	1	98.51	3	3	0	-1.5462	1.53778	2.34	1.435	77.1672	90.1068	2.4063	300.887460667784
Cond-013675	CPD000466362	CPD000466362	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	70.877226909923	O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12.Cl	InChI=1S/C23H30N4O2S.ClH/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21;/h3-4,9-10,17-18H,1-2,5-8,11-16H2;1H/t17-,18+;	C23H31ClN4O2S	463.036	6	0	84.99	5	6	0	-1.0019	3.59227	3.22	3.235	82.0389	119.894	3.2284	387.039577678325
Cond-013676	CPD000466363	CPD000466363	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	12.947247409966	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	C11H16FN3O3	257.261	6	2	78.51	1	7	0	-2.1001	1.79908	1.9	2.239	54.2721	65.0824	1.8711	241.338515657823
Cond-013677	CPD000466363	CPD000466363	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.6630687330951	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	C11H16FN3O3	257.261	6	2	78.51	1	7	0	-2.1001	1.79908	1.9	2.239	54.2721	65.0824	1.8711	241.338515657823
Cond-013678	CPD000466364	CPD000466364	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	8.54620661508624	COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO	InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3	C19H30O5	338.438	5	1	72.83	1	12	1	-3.0287	3.54857	3	3.865	83.1131	95.0998	2.7986	358.229006591074
Cond-013679	CPD000466364	CPD000466364	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	77.5967199876986	COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO	InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3	C19H30O5	338.438	5	1	72.83	1	12	1	-3.0287	3.54857	3	3.865	83.1131	95.0998	2.7986	358.229006591074
Cond-013680	CPD000466365	CPD000466365	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	105.186870826043	O=N(=O)OCCNC(=O)c1cccnc1	InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)	C8H9N3O4	211.175	7	1	94.36	1	6	0	0.0809000000000004	-0.15291	1.57	0.67	22.1061	54.4117	1.4464	178.636770929678
Cond-013681	CPD000466366	CPD000466366	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.243761929858	CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N	InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1	C15H23N3O4S	341.426	7	3	110.11	2	7	0	-1.8604	0.477090000000002	2.23	0.282	57.4329	84.5781	2.5306	308.497687368346
Cond-013682	CPD000466367	CPD000466367	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	41.9061978880998	CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)N(=O)=O	InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	C12H9N3O5S	307.282	8	1	139.67	2	6	0	0.5347	3.42267	1.79	2.457	30.8411	81.8932	1.9946	243.954125388106
Cond-013683	CPD000466368	CPD000466368	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	75.6466941628921	CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O	InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-	C24H34N4O5S	490.616	9	3	133.06	3	11	1	-0.481599999999999	3.11207	3	4.181	97.7355	126.8021	3.7196	463.682701106675
Cond-013684	CPD000466369	CPD000466369	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.979018168195	Cn1c(NCCN(CCO)CCCc2ccc(cc2)N(=O)=O)cc(=O)n(C)c1=O.Cl	InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H	C19H28ClN5O5	441.909	10	2	119.26	2	11	1	-0.551199999999999	0.795580000000001	2.45	1.78	78.5524	111.8045	3.06	382.046972828708
Cond-013685	CPD000466370	CPD000466370	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.94490194973459	CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OCC(C)C)c1ccccc1N(=O)=O)/O	InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+	C20H24N2O6	388.414	8	1	111.26	2	7	0	1.5021	3.88506	2.78	3.906	75.7283	109.4988	2.9172	372.506444829835
Cond-013686	CPD000466370	CPD000466370	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.9447806912285	CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OCC(C)C)c1ccccc1N(=O)=O)/O	InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+	C20H24N2O6	388.414	8	1	111.26	2	7	0	1.5021	3.88506	2.78	3.906	75.7283	109.4988	2.9172	372.506444829835
Cond-013687	CPD000466371	CPD000466371	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.021834379814	OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1	C20H22O8	390.384	8	6	139.84	3	5	1	-2.66	0.525880000000003	2.78	2.328	50.4257	100.102	2.7694	347.473377814624
Cond-013688	CPD000466372	CPD000466372	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.283720580517	CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)O	InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1	C19H27NO3	317.423	4	2	66.4	2	7	1	0.175199999999998	3.49479	3.11	6.381	61.3484	93.2415000000001	2.6294	325.752395996518
Cond-013689	CPD000466373	CPD000466373	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.492094142347	CN1CCN(CC1)c1c(F)cc2c(=O)c(cn3CCSc1c23)C(=O)O	InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)	C17H18FN3O3S	363.407	6	1	89.39	4	2	0	0.529399999999999	2.34157	2.45	1.776	72.2354	97.6263000000001	2.4682	310.381153966625
Cond-013690	CPD000466374	CPD000466374	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.051602031504	COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC	InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)	C14H18N4O2	274.318	6	4	96.28	2	4	0	-0.505200000000001	1.95451	2.34	1.161	33.1789	78.1758	2.1226	249.936068090323
Cond-013691	CPD000466375	CPD000466375	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.974842208081	CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C	InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)	C14H19N5O4	321.332	9	2	122.22	2	9	0	-1.4584	1.99046	2.01	0.222	50.4033	87.4744	2.3398	278.513281699612
Cond-013692	CPD000466376	CPD000466376	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	124.223852554474	C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1	C25H43NO18	645.605	19	14	321.17	4	9	2	-7.2263	-8.63831	2.12	-5.53	137.768	137.4651	4.31010000000001	558.114621661735
Cond-013693	CPD000466377	CPD000466377	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.083201136283	CC(N(O)C(=O)N)c1cc2ccccc2s1	InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	C11H12N2O2S	236.29	4	3	94.8	2	3	0	-0.4965	1.50139	2.12	1.589	29.5973	62.3429	1.7068	197.200076554789
Cond-013694	CPD000466378	CPD000466378	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.649781624136	NC(=O)OCCCc1ccccc1	InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)	C10H13NO2	179.216	3	2	52.32	1	5	0	-0.298	1.31249	2.23	3.62	21.282	53.1524	1.4542	176.291225064756
Cond-013695	CPD000466379	CPD000466379	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.436813031255	CC(=O)CCCCn1cnc2n(C)c(=O)n(C)c(=O)c12	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3	C13H18N4O3	278.307	7	0	75.51	2	5	0	-1.3169	1.65778	2.12	-0.104	55.0305	76.714	2.0834	254.966768865817
Cond-013696	CPD000466380	CPD000466380	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	124.387254010118	C[C@H]1COc2c(c(F)cc3c(=O)c(cn1c23)C(=O)O)C1(N)CC1	InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1	C16H15FN2O4	318.3	6	3	92.86	4	2	0	-0.924700000000001	2.42717	2.45	1.698	55.7326	83.9307	2.1227	272.369611775552
Cond-013697	CPD000466381	CPD000466381	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	123.488558178225	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1	C8H17NO5	207.224	6	5	104.39	1	3	0	-2.4435	-3.2621	1.68	-2.257	48.1614	47.553	1.5205	189.515770717906
Cond-013698	CPD000466382	CPD000466382	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	48.3474790468025	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	C38H69NO13	747.953	14	4	182.91	3	8	1	-2.0536	2.67359000000001	4.1	1.66	186.232	194.2912	5.91390000000002	748.731288295192
Cond-013699	CPD000466383	CPD000466383	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.50573586369786	Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	C23H27Cl2N3O2	448.385	5	1	44.81	4	7	0	0.3169	6.22037000000001	3.22	4.001	69.5988	127.1467	3.2755	397.675928953424
Cond-013700	CPD000466383	CPD000466383	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	83.2373492833681	Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	C23H27Cl2N3O2	448.385	5	1	44.81	4	7	0	0.3169	6.22037000000001	3.22	4.001	69.5988	127.1467	3.2755	397.675928953424
Cond-013701	CPD000466384	CPD000466384	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.422620554139	CN/C(=C\N(=O)=O)/NCCSCc1csc(CN(C)C)n1	InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+	C12H21N5O2S2	331.457	7	2	136.87	1	10	0	0.768000000000002	0.40089	1.79	1.828	72.5465	86.0234	2.4622	291.888283264356
Cond-013702	CPD000466385	CPD000466385	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.964390869318	COc1cc(cc(OC)c1OC)C(=O)NC1CCCNC1	InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)	C15H22N2O4	294.346	6	2	68.82	2	6	0	-1.8138	1.16259	2.45	0.648	51.3344	82.4774000000001	2.2673	278.991903102579
Cond-013703	CPD000466386	CPD000466386	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.659755271218	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCC[C@H]12)C(=O)O	InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1	C23H32N2O5	416.511	7	2	95.94	3	11	1	-2.1003	2.61709	3.22	4.916	78.8146	115.0405	3.2586	408.520630707675
Cond-013704	CPD000466387	CPD000466387	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	76.2377940937945	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(cn1c23)C(=O)O	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1	C18H20FN3O4	361.368	7	1	73.32	4	2	0	-0.226	2.51756	2.56	1.49	70.6454	99.0533000000001	2.5043	317.958341235453
Cond-013705	CPD000466388	CPD000466388	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.448212245716	CC(N)C(=O)Nc1c(C)cccc1C	InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)	C11H16N2O	192.258	3	3	55.12	1	3	0	-0.2065	1.91703	2.34	1.899	31.8893	59.7531	1.6362	195.793743198228
Cond-013706	CPD000466389	CPD000466389	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.674063041731	O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1	C15H12O7	304.252	7	5	127.45	3	1	0	-2.9269	0.813590000000001	2.34	0.0280000000000001	26.5088	75.493	2.0062	252.203227984728
Cond-013707	CPD000466390	CPD000466390	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.220269656817	OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1	InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1	C9H12N2O4S	244.268	6	2	112.01	2	3	0	-1.4691	-0.51501	1.68	-1.007	52.9483	60.0025	1.6284	207.261478105778
Cond-013708	CPD000466391	CPD000466391	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	124.509799014776	OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1	C21H20O12	464.376	12	8	206.6	4	4	1	-4.8921	-0.444129999999998	2.45	-0.353999999999999	61.1754	110.2944	2.99350000000001	384.937351841135
Cond-013709	CPD000466392	CPD000466392	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.665033779346	CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)C=C[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@@H](C)CC=CC=C1)[C@H]2C	InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1	C45H74O10	775.063	10	4	159.82	3	3	1	-0.739900000000001	6.78016	5.31	6.141	207.5554	215.884199999999	6.45230000000002	821.889905563208
Cond-013710	CPD000466393	CPD000466393	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	13.9850176171256	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	C27H44O3	416.636	3	3	60.69	3	6	1	0.754699999999995	5.48327000000001	4.1	6.745	120.5304	123.2284	3.6342	456.939971496086
Cond-013711	CPD000466393	CPD000466393	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	92.7158893455057	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	C27H44O3	416.636	3	3	60.69	3	6	1	0.754699999999995	5.48327000000001	4.1	6.745	120.5304	123.2284	3.6342	456.939971496086
Cond-013712	CPD000466394	CPD000466394	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.925375943872	OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1	C21H20O12	464.376	12	8	206.6	4	4	1	-4.8921	-0.444129999999998	2.45	-0.353999999999999	61.1754	110.2944	2.99350000000001	384.937351841135
Cond-013713	CPD000466395	CPD000466395	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	123.66664516609	CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1	InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	C37H48N6O5S2	720.944	11	4	202.26	4	22	3	0.174200000000001	4.79639000000001	4.1	8.593	114.1441	196.363899999999	5.54780000000001	668.157834811272
Cond-013714	CPD000466919	CPD000466919	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.055390102606	CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C.O	InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2	C13H21N5O	263.339	5	2	73.1	1	5	0	1.1104	3.02108	2.34	2.813	46.1853	74.7214	2.0727	249.312848972301
Cond-013715	CPD000466920	CPD000466920	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.529372321014	CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1(O)C(=O)CO	InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17?,19?,20?,21-,22?/m0/s1	C22H29ClO5	408.916	5	3	94.83	4	2	0	-0.679399999999999	2.25127	3.22	1.275	106.0384	107.3924	3.0179	388.258652136708
Cond-013716	CPD000466922	CPD000466922	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	75.3732960588136	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO	InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3	C21H30O4	346.46	4	2	74.6	4	2	0	-0.355300000000003	2.97088	3.33	2.427	94.856	96.7256000000001	2.7389	349.597831740647
Cond-013717	CPD000468732	CPD000468732	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.304150146328	OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12.O	InChI=1S/C15H20ClN5O4.H2O/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14;/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20);1H2/t8-,10?,11+,14-;/m1./s1	C15H22ClN5O5	387.819	9	4	125.55	4	4	0	-2.8524	0.969690000000001	2.01	0.356	54.6307	90.7911	2.4719	291.580334095912
Cond-013718	CPD000468733	CPD000468733	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	7.55437338568089	CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F.OC(=O)/C=C\C(=O)O	InChI=1S/C17H17F3N4.C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C21H21F3N4O4	450.411	4	0	23.78	4	2	0	1.2864	3.32219	2.56	3.723	39.6741	87.6730000000001	2.2638	266.83332771612
Cond-013719	CPD000468734	CPD000468734	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.7287143070172	Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C	InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	C14H12F3NOS	299.311	2	2	71.33	2	3	0	1.7565	2.77573	2.34	4.682	35.0308	69.9494	1.9811	244.867261373781
Cond-013720	CPD000468736	CPD000468736	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	95.3498328073212	CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl	InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H	C16H23ClFNO	299.811	2	0	20.31	2	5	0	-0.431900000000001	3.48889	2.89	3.67	45.0724	77.8240000000001	2.15	264.988006268901
Cond-013721	CPD000469136	CPD000469136	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	7.50414791359271	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl	InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1	C18H20ClNOS	333.875	2	1	49.5	3	6	1	-0.2084	4.30289	3.11	5.835	29.431	88.2807000000001	2.34	269.955605924729
Cond-013722	CPD000469136	CPD000469136	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.3385565786347	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl	InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1	C18H20ClNOS	333.875	2	1	49.5	3	6	1	-0.2084	4.30289	3.11	5.835	29.431	88.2807000000001	2.34	269.955605924729
Cond-013723	CPD000469137	CPD000469137	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.749100776681	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl	InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m0./s1	C17H27ClN2O	310.862	3	1	32.34	2	5	0	-0.572199999999998	3.83433	3	3.75	51.636	85.6067	2.373	287.213192252629
Cond-013724	CPD000469138	CPD000469138	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.606840433721	CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12.Cl	InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t12-,13+,14-;	C18H25ClN4O	348.87	5	1	50.16	4	3	0	-1.995	2.69198	2.89	2.574	49.3826	94.4547000000001	2.4533	288.253321192429
Cond-013725	CPD000469140	CPD000469140	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.9314350993945	CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1.Cl	InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H	C30H33ClN2O2	489.048	4	0	53.33	4	9	1	0.371499999999999	5.31679000000001	4.32	10.148	58.1118	134.906	3.7022	453.246632081458
Cond-013726	CPD000469141	CPD000469141	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.357838366393	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl	InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H	C16H26ClNO4	331.835	5	2	67.79	1	10	0	-0.9014	1.76379	2.67	2.296	56.9043	84.6625000000001	2.417	297.647586221079
Cond-013727	CPD000469142	CPD000469142	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	122.358383037912	CCCN[C@H]1CCc2nc(N)sc2C1.Cl	InChI=1S/C10H17N3S.ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H/t7-;/m0./s1	C10H18ClN3S	247.788	3	3	79.18	2	3	0	-0.632	1.44498	2.12	1.252	44.0512	58.2261	1.6773	192.129774838367
Cond-013728	CPD000469143	CPD000469143	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.82216713286	COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1.Cl	InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H	C20H27ClN2O4	394.892	6	1	60.03	2	10	0	-0.6399	2.20309	3	2.619	52.1202	103.4727	2.8428	346.662450129513
Cond-013729	CPD000469144	CPD000469144	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.640501872953	CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl	InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H	C19H29ClN2O4	384.898	6	1	67.87	2	11	1	-2.1527	2.51588	2.89	2.319	63.4441	99.8727000000001	2.7879	345.539382905246
Cond-013730	CPD000469145	CPD000469145	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.211874515452	CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1.OC(C(O)C(=O)O)C(=O)O	InChI=1S/C19H21N3O.C4H6O6/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)	C23H27N3O7	457.476	4	0	37.61	3	4	0	0.901799999999999	3.78071	3.11	4.528	37.2863	96.515	2.474	288.099628208529
Cond-013731	CPD000469147	CPD000469147	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.23093801861	CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)/C(=O)[O-].[Na+]	InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1	C16H25N2NaO5S	380.435	7	4	157.85	1	12	1	-1.2941	0.25798	2.34	-0.997	86.2873	92.8809	2.7175	345.525367837007
Cond-013732	CPD000469148	CPD000469148	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.71459719670423	COCc1c(nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1c1ccc(F)cc1)C(C)C.[Na+]	InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1	C26H33FNNaO5	481.532	6	2	102.71	2	11	1	-0.139100000000002	3.71127000000001	3.55	3.931	76.082	127.1606	3.6003	450.344695176215
Cond-013733	CPD000469148	CPD000469148	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	37.3704200180987	COCc1c(nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1c1ccc(F)cc1)C(C)C.[Na+]	InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1	C26H33FNNaO5	481.532	6	2	102.71	2	11	1	-0.139100000000002	3.71127000000001	3.55	3.931	76.082	127.1606	3.6003	450.344695176215
Cond-013734	CPD000469151	CPD000469151	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.941716765778	CNNCc1ccc(cc1)C(=O)NC(C)C.Cl	InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H	C12H20ClN3O	257.76	4	3	53.16	1	6	0	-1.3095	0.67769	2.34	2.769	39.6457	67.2091	1.8769	224.086488032261
Cond-013735	CPD000469152	CPD000469152	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	14.2048695019375	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl	InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;	C21H26ClN	327.891	1	0	3.24	2	4	1	2.7531	4.54358000000001	3.66	7.696	56.0279	94.9820000000001	2.6061	315.164309044168
Cond-013736	CPD000469152	CPD000469152	1-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	72.9224891213668	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl	InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;	C21H26ClN	327.891	1	0	3.24	2	4	1	2.7531	4.54358000000001	3.66	7.696	56.0279	94.9820000000001	2.6061	315.164309044168
Cond-013737	CPD000469153	CPD000469153	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	116.314188457354	CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](O)[C@]1(O)C(=O)N.OS(=O)(=O)O	InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1	C43H57N5O11S	852.005	12	6	164.82	9	7	1	-2.9805	3.11016000000001	4.87	3.509	149.1582	211.996799999999	5.66980000000002	698.526470242626
Cond-013738	CPD000469154	CPD000469154	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.866008777346	COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1.Cl	InChI=1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H	C17H28ClNO2	313.863	3	1	32.7	2	5	0	-1.2265	3.0356	3	3.239	51.6282	82.3238000000001	2.3749	287.643117445823
Cond-013739	CPD000469155	CPD000469155	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.8528991218438	CCCc1nc(C)c2c(O)nc(nn12)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C23H32N6O4S.C6H8O7/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	C29H40N6O11S	680.727	10	1	121.54	4	8	0	-0.8579	4.13049000000001	2.78	2.37	77.4055	128.5488	3.611	425.43355149578
Cond-013740	CPD000469156	CPD000469156	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.888882952112	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12.Cl	InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13+;	C17H21ClN2O2	320.814	4	1	45.33	4	3	0	-1.6992	2.84158	2.89	3.413	40.0265	85.804	2.1715	257.75404285079
Cond-013741	CPD000469158	CPD000469158	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.14884960512	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.OC(=O)CCC(=O)O	InChI=1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)	C18H27N3O6S	413.488	5	2	73.58	2	6	0	-0.757999999999999	0.4518	2.34	0.971	48.3059	76.5037	2.2723	262.721249341356
Cond-013742	CPD000469159	CPD000469159	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.722767607657	CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	C25H31F3O5S	500.571	5	1	105.97	4	6	0	1.5125	4.51627	3.22	3.389	120.5553	123.5708	3.4918	459.010780151594
Cond-013743	CPD000469160	CPD000469160	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	42.4019594647843	Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3n12.Cl	InChI=1S/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H	C18H14Cl2FN3	362.228	3	0	29.66	4	1	0	0.9703	4.2547	2.89	4.947	26.4133	92.126	2.2629	268.299126101241
Cond-013744	CPD000469161	CPD000469161	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.589325790915	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12.OS(=O)(=O)O	InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1	C36H49N5O8S	711.868	9	4	118.03	5	14	2	-0.886000000000002	2.42019000000001	4.43	6.484	100.0796	175.776	4.89880000000001	597.873273862279
Cond-013745	CPD000469164	CPD000469164	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.43517969304	OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1.Cl	InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;	C13H13ClN2O2	264.708	4	1	55.12	2	4	0	0.1461	1.89278	2.45	2.88	25.073	65.6008	1.7391	208.010104347323
Cond-013746	CPD000469165	CPD000469165	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.098446964364	CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1.[Na+]	InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1	C15H17NaO3	268.283	3	0	57.2	2	4	0	-0.7077	1.68559	2.78	2.95	39.9304	69.159	1.9445	244.253467934484
Cond-013747	CPD000469166	CPD000469166	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.82557866954	CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12.O.Cl	InChI=1S/C33H38N4O6.ClH.H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;1H2/t33-;;/m0../s1	C33H41ClN4O7	641.154	10	1	112.51	7	6	0	-2.7949	3.90016000000001	3.99	3.633	113.2062	163.0508	4.3195	541.392554476835
Cond-013748	CPD000469167	CPD000469167	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.717859476912	CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl	InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H	C19H21ClN2O3S	392.9	5	1	93.59	3	7	0	0.132399999999999	3.39349	2.89	3.655	47.9592	101.1207	2.6551	324.092345459085
Cond-013749	CPD000469168	CPD000469168	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.58390852228	Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl.Cl	InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H	C10H8Cl3N3O	292.549	4	1	44.7	3	0	0	0.7054	1.77309	1.9	2.007	36.6466	65.6777	1.5797	192.567278218995
Cond-013750	CPD000469170	CPD000469170	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	49.3055553113211	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.Cl	InChI=1S/C18H19N3O3S.ClH/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h2-9,15H,10-12H2,1H3,(H,20,22,23);1H	C18H20ClN3O3S	393.888	6	1	96.83	3	7	0	0.240599999999999	3.25188	2.67	2.641	48.004	101.7327	2.614	317.793121041385
Cond-013751	CPD000469174	CPD000469174	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.5980410626937	COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)	C18H21N3O3S	359.443	6	1	96.31	3	8	0	-0.758700000000002	3.607	2.67	1.486	43.9504	96.2095	2.657	309.529579742185
Cond-013752	CPD000469175	CPD000469175	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.9346214952898	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)c3cccnc3)c2)CC1.CS(=O)(=O)O	InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)	C30H35N7O4S	589.708	8	2	86.28	5	8	0	-0.226499999999999	5.24210000000001	3.77	4.265	51.2973	149.6984	3.85	456.251304394264
Cond-013753	CPD000469176	CPD000469176	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.0873847220499	Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(=O)O)c1sccc1C.Cl	InChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1	C20H26ClNO2S2	412.009	3	1	97.02	3	6	0	2.0805	4.58993	3.11	4.012	73.8402	106.8608	2.887	345.383284635424
Cond-013754	CPD000469177	CPD000469177	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.948997802363	CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl	InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1	C17H22ClNO	291.816	2	1	21.26	2	6	1	-0.157000000000001	3.65862	3.11	5.592	27.1396	79.9857000000001	2.1872	260.043514642862
Cond-013755	CPD000469178	CPD000469178	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	39.7321074316329	CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl	InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1	C24H31ClO7	466.952	7	1	99.13	4	7	0	1.789	3.36687	3.22	3.426	116.4197	117.9698	3.3741	437.794616088764
Cond-013756	CPD000469179	CPD000469179	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.162313092385	Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C.Cl	InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H	C18H20ClN3O	329.824	4	0	39.82	4	2	0	0.294300000000001	3.6816	3	2.923	39.9748	90.297	2.2675	261.083643582662
Cond-013757	CPD000469181	CPD000469181	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	39.4302539090813	CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1	InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1	C20H22FNO3	343.392	4	0	30.93	4	4	0	-0.455200000000002	4.33137000000001	3.11	4.301	41.9823	99.0620000000001	2.5278	310.866563370291
Cond-013758	CPD000469182	CPD000469182	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.6396063759915	N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc1c[nH]nn1)c1ccc(O)cc1.CC(O)CO	InChI=1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1	C21H26N6O7S2	538.597	11	6	225.13	4	8	0	-2.2922	-1.18883	2.01	-2.248	75.4497	110.1057	3.0427	371.879961723007
Cond-013759	CPD000469183	CPD000469183	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	39.5326016112547	CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl	InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H	C22H25Cl2N3O	418.359	4	0	35.91	4	3	1	-0.737	4.19529	3.33	5.445	54.3612	112.462	2.9105	353.742191155763
Cond-013760	CPD000469184	CPD000469184	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.578239619523	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C	InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1	C17H25N3O5S	383.462	8	3	135.48	3	6	0	-2.5654	-0.14792	2.34	-0.779	95.3237	99.0843000000001	2.7625	350.423424619841
Cond-013761	CPD000469185	CPD000469185	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	19.3627437917714	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(cn(C3CC3)c12)C(=O)O.Cl	InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1	C21H25ClFN3O4	437.892	7	2	82.11	5	4	0	-1.699	3.34406	2.89	2.319	75.1116	110.688	2.8184	357.489836412253
Cond-013762	CPD000469185	CPD000469185	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	96.3683186706132	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(cn(C3CC3)c12)C(=O)O.Cl	InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1	C21H25ClFN3O4	437.892	7	2	82.11	5	4	0	-1.699	3.34406	2.89	2.319	75.1116	110.688	2.8184	357.489836412253
Cond-013763	CPD000469186	CPD000469186	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.522873160252	Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C.CS(=O)(=O)O	InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1	C33H49N3O7S2	663.888	7	4	127.2	4	12	2	-0.555299999999998	3.92341000000001	4.1	6.331	104.7457	158.435	4.5367	556.37067380328
Cond-013764	CPD000469187	CPD000469187	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.03866559076	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H]12.[Na+]	InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1	C23H35NaO7	446.51	7	3	127.12	2	11	1	-2.5737	1.19197	3.22	1.794	102.7469	111.5174	3.3495	431.318710444464
Cond-013765	CPD000469188	CPD000469188	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	101.583750398404	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]	InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1	C35H35ClNNaO3S	608.165	4	1	98.55	5	12	2	0.544300000000001	7.27857000000001	4.65	10.614	77.7894	169.4948	4.4784	544.028966779219
Cond-013766	CPD000469190	CPD000469190	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.740741767778	Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12.CS(=O)(=O)O	InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)	C17H20ClNO6S	401.862	4	4	72.72	3	1	0	-0.8125	3.08829	2.67	2.079	34.0585	82.7973	2.1775	263.182592487751
Cond-013767	CPD000469191	CPD000469191	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.678644480241	CN(C)CCC[C@]1(OCc2cc(C#N)ccc12)c1ccc(F)cc1.OC(=O)C(=O)O	InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1	C22H23FN2O5	414.427	3	0	36.26	3	5	0	0.284000000000002	2.96589	3.22	3.956	42.0724	89.965	2.5328	311.366411476536
Cond-013768	CPD000469192	CPD000469192	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	20.1661221078715	CO/C(=C\1/[C@H](C(=C(C)N=C1C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(c1)N(=O)=O)/O.Cl	InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,32H,8,13-14,16-17H2,1-3H3;1H/b27-24+;/t23-,26-;/m1./s1	C28H32ClN3O6	542.023	9	1	114.5	4	8	1	0.339199999999998	4.55416000000001	3.55	6.132	83.004	143.7788	3.798	478.348788540936
Cond-013769	CPD000469192	CPD000469192	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.4790990486539	CO/C(=C\1/[C@H](C(=C(C)N=C1C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(c1)N(=O)=O)/O.Cl	InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,32H,8,13-14,16-17H2,1-3H3;1H/b27-24+;/t23-,26-;/m1./s1	C28H32ClN3O6	542.023	9	1	114.5	4	8	1	0.339199999999998	4.55416000000001	3.55	6.132	83.004	143.7788	3.798	478.348788540936
Cond-013770	CPD000469193	CPD000469193	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.9897222211	COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=NOC)c1csc(N)n1)C2=O)C(=O)OC(C)OC(=O)OC(C)C	InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/t10?,14-,18-/m1/s1	C21H27N5O9S2	557.597	14	3	234.51	3	14	2	-0.329699999999999	0.756370000000001	2.01	1.378	117.8635	135.8781	3.752	473.824979596286
Cond-013771	CPD000469195	CPD000469195	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.915306904701	NC1CCN(C1)c1nc2n(cc(C(=O)O)c(=O)c2cc1F)c1ccc(F)cc1F.Cc1ccc(cc1)S(=O)(=O)O	InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)	C26H23F3N4O6S	576.544	7	3	99.76	4	3	0	-0.352000000000001	3.43156	2.45	3.304	49.275	101.9847	2.5927	330.786600967137
Cond-013772	CPD000469196	CPD000469196	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.0894765149332	CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C.OC(C(O)C(=O)O)C(=O)O	InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;/m1./s1	C26H37NO7	475.574	2	1	23.47	2	7	1	-0.107999999999999	5.46962000000001	3.66	7.806	52.7588	103.385	2.8917	346.523437772197
Cond-013773	CPD000469197	CPD000469197	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.723147006348	NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(=O)O)cc1.Cl	InChI=1S/C17H23NO4.ClH/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20;/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20);1H/t13-,14-;	C17H24ClNO4	341.83	5	3	89.62	2	7	0	-0.4004	2.60819	2.78	2.749	56.0915	85.7792000000001	2.4063	299.950653445345
Cond-013774	CPD000469198	CPD000469198	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.77315456746834	CCO/C(=C\1/C(C(=C(C)N=C1COCCN)C(=O)OC)c1ccccc1Cl)/O	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,25H,4,9-11,22H2,1-3H3/b20-18+	C20H25ClN2O5	408.876	7	3	103.37	2	9	0	0.262000000000001	3.09056	2.78	2.166	82.8676	111.0162	3.0239	381.563744600508
Cond-013775	CPD000469198	CPD000469198	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	75.7295357130412	CCO/C(=C\1/C(C(=C(C)N=C1COCCN)C(=O)OC)c1ccccc1Cl)/O	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,25H,4,9-11,22H2,1-3H3/b20-18+	C20H25ClN2O5	408.876	7	3	103.37	2	9	0	0.262000000000001	3.09056	2.78	2.166	82.8676	111.0162	3.0239	381.563744600508
Cond-013776	CPD000469199	CPD000469199	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.162852049733	CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl	InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1	C24H29ClN2O5	460.95	7	2	95.94	3	10	1	-2.0006	3.33408	3.33	6.276	61.0046	120.5265	3.2705	407.007239231141
Cond-013777	CPD000469200	CPD000469200	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	8.46949856403183	CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	C27H33ClFN3O10	614.016	6	3	76.82	3	8	0	-0.095399999999999	2.71969	2.89	2.592	61.2373	113.0491	3.0563	375.087136182925
Cond-013778	CPD000469200	CPD000469200	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	85.6155601282919	CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	C27H33ClFN3O10	614.016	6	3	76.82	3	8	0	-0.095399999999999	2.71969	2.89	2.592	61.2373	113.0491	3.0563	375.087136182925
Cond-013779	CPD000469203	CPD000469203	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.4933635292667	COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC.Cl	InChI=1S/C27H30F2N2O3.ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;/h4-13,25H,14-18H2,1-3H3;1H	C27H31ClF2N2O3	504.996	5	0	34.17	4	8	1	0.838000000000001	4.41709000000001	3.66	5.154	56.4473	129.592	3.5026	430.193398707432
Cond-013780	CPD000469203	CPD000469203	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	79.8209924916745	COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC.Cl	InChI=1S/C27H30F2N2O3.ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;/h4-13,25H,14-18H2,1-3H3;1H	C27H31ClF2N2O3	504.996	5	0	34.17	4	8	1	0.838000000000001	4.41709000000001	3.66	5.154	56.4473	129.592	3.5026	430.193398707432
Cond-013781	CPD000469208	CPD000469208	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.22627707002	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(O)nc(N)nc12.Cl	InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1	C13H21ClN6O4	360.797	10	5	151.4	2	8	0	-1.7476	0.779370000000002	1.79	-0.838	53.0665	87.0006	2.3417	274.850515982712
Cond-013782	CPD000469209	CPD000469209	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	119.716770810217	COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl	InChI=1S/C9H12ClN5O.ClH/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;/h3-4H2,1-2H3,(H2,11,12,15);1H	C9H13Cl2N5O	278.138	6	2	71.43	2	3	0	-0.1373	1.49841	1.68	0.946	39.754	64.5294	1.6676	197.046663640628
Cond-013783	CPD000469210	CPD000469210	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.793255652674	CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)C)[C@]1(O)C(=O)OC.OC(C(O)C(=O)O)C(=O)O	InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,37+,38-,39-,42-,43-,44+,45+;/m1./s1	C49H60N4O14	929.019	12	2	133.87	9	10	1	-0.712399999999998	5.32826000000001	5.09	3.903	159.3105	219.581799999999	5.82450000000002	725.638988585154
Cond-013784	CPD000469211	CPD000469211	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	72.6171721623096	Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C.Cl	InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H	C17H19ClN4O	330.812	5	1	53.92	4	2	0	-0.765	2.5999	2.78	2.332	37.4047	89.944	2.2264	254.784419164962
Cond-013785	CPD000469212	CPD000469212	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.320627987063	COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1	C20H26O6	362.417	6	4	99.38	2	9	0	-1.8914	2.48779000000001	3	1.708	49.4292	100.2964	2.8036	344.885841815102
Cond-013786	CPD000469213	CPD000469213	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.1924111979651	CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c1ccccc1)/c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H36ClNO8	598.083	2	0	12.47	3	9	1	1.175	6.42418000000001	3.99	10.465	47.9929	124.835	3.2971	397.116150542097
Cond-013787	CPD000469213	CPD000469213	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	85.7537095652266	CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c1ccccc1)/c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H36ClNO8	598.083	2	0	12.47	3	9	1	1.175	6.42418000000001	3.99	10.465	47.9929	124.835	3.2971	397.116150542097
Cond-013788	CPD000469214	CPD000469214	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.034415540405	CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N.CC(=O)O	InChI=1S/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38?,39-,40?,41?,42?,43?,44?,45?,46?;/m0./s1	C61H88N18O16	1329.46	32	20	495.89	6	43	3	-10.1151	-4.16862999999999	4.43	-1.198	228.9827	334.112799999999	9.48530000000003	1176.9200242602
Cond-013789	CPD000469217	CPD000469217	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.316081608286	CN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1	C21H22N4O6S	458.488	10	4	181.19	3	10	0	-1.216	2.8686	2.56	1.562	62.2274	121.8636	3.2266	390.875597827235
Cond-013790	CPD000469218	CPD000469218	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	52.4758513308017	CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3	InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1	C16H26O5	298.375	5	0	46.15	3	1	0	0.6572	2.8408	2.67	3.334	66.3545	73.837	2.2221	279.817511414273
Cond-013791	CPD000469218	CPD000469218	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	14.5939682533351	CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3	InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1	C16H26O5	298.375	5	0	46.15	3	1	0	0.6572	2.8408	2.67	3.334	66.3545	73.837	2.2221	279.817511414273
Cond-013792	CPD000469219	CPD000469219	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	21.0192713912077	C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12	InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1	C21H28O2	312.446	2	1	37.3	4	0	0	1.4176	4.12227	3.55	2.988	90.172	92.8208000000001	2.5785	329.380919638724
Cond-013793	CPD000469220	CPD000469220	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.440935300269	CN(C)CC/C=C\1/c2ccccc2COc2ccc(CC(=O)O)cc12.Cl	InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;	C21H24ClNO3	373.873	4	1	49.77	3	5	0	-0.133899999999999	3.80197	3.33	4.123	49.1135	102.2918	2.6736	329.178530445052
Cond-013794	CPD000469221	CPD000469221	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.91768374526	OC(=O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(c2)C(=O)O)cc1	InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)	C17H15N3O6	357.317	9	4	148.65	2	8	0	-1.5283	2.57638	2.34	3.502	33.7061	94.1066000000001	2.5083	315.442333758801
Cond-013795	CPD000469222	CPD000469222	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.826995312223	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc(c3)c3cccnc3)C(=O)O[C@]12C)OC	InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37+,38-,40+,42-,43-/m1/s1	C43H65N5O10	812.004	15	1	171.85	5	11	2	-0.93760000000001	4.98078000000001	4.54	2.835	170.8704	219.029799999999	6.32330000000002	787.859443848309
Cond-013796	CPD000469223	CPD000469223	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.26770995462	OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O	InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1	C27H28O11	528.505	11	4	169.05	4	10	0	-2.1683	0.533980000000001	3.22	3.252	79.2421	132.9252	3.69420000000001	474.650115494175
Cond-013797	CPD000469224	CPD000469224	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	111.081808726519	Nc1nc(cs1)C(=NO)C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C	InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/t8-,12-/m1/s1	C14H13N5O5S2	395.414	10	5	211.75	3	6	0	-0.7804	0.31966	1.68	-1.939	80.5782	98.4754	2.5309	317.592180412973
Cond-013798	CPD000469225	CPD000469225	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.405416311966	Nc1nc(cs1)C(=NOCC(=O)O)C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C.O	InChI=1S/C16H15N5O7S2.H2O/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7;/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27);1H2/t10-,14-;/m1./s1	C16H17N5O8S2	471.465	12	5	238.05	3	9	0	-1.2598	-0.0533400000000002	1.68	-2.391	91.7008	110.2767	2.8871	367.128144365029
Cond-013799	CPD000469226	CPD000469226	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	83.6559329874098	CNC1=Nc2ccc(Cl)cc2C(=N(=O)C1)c1ccccc1	InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	C16H14ClN3O	299.755	4	1	50.46	3	2	0	-0.4642	3.26928	2.67	3.581	30.421	89.5517	2.1737	262.322742101362
Cond-013800	CPD000469227	CPD000469227	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.467353924181	CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2CCCN2C1=O	InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42-,43+,44+,45+,48-,49-/m1/s1	C62H86N12O16	1255.42	28	6	355.54	7	10	1	-6.9554	0.408680000000013	5.2	3.264	287.8737	327.9367	9.40400000000004	1206.02432899072
Cond-013801	CPD000469228	CPD000469228	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.184797780203	O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12.CS(=O)(=O)O	InChI=1S/C19H20N2O3.CH4O3S/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4)/t11-,12+,13-,14-;	C20H24N2O6S	420.479	5	1	62.4	3	3	0	-1.3246	2.41068	3	2.55	50.9398	93.244	2.3604	286.143321401485
Cond-013802	CPD000469229	CPD000469229	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.68341847033	CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1.Cl	InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H	C24H31ClN2O2	414.968	4	0	32.78	4	6	1	-1.3173	3.17449	3.66	6.246	58.5572	113.594	3.0718	373.553017830258
Cond-013803	CPD000469230	CPD000469230	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	27.9874087055847	COC1=C[C@]23CCCN2CCc2cc4OCOc4cc2[C@]3(C)C1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O	InChI=1S/C29H39NO9/c1-26(2,34)8-5-9-28(35,16-23(31)32)25(33)39-24-22(36-4)15-29-10-6-11-30(29)12-7-18-13-20-21(38-17-37-20)14-19(18)27(24,29)3/h13-15,24,34-35H,5-12,16-17H2,1-4H3,(H,31,32)/t24?,27-,28-,29+/m1/s1	C29H39NO9	545.621	10	3	134.99	5	10	0	-0.821300000000002	3.32727000000001	3.55	2.103	113.4709	144.5164	4.0218	511.747767655353
Cond-013804	CPD000469231	CPD000469231	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.600143167744	C/C=C\1/[C@@H]2Cc3nc(O)ccc3[C@@]1(N)CC(=C2)C	InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1	C15H18N2O	242.316	3	3	59.14	3	0	0	0.4801	2.69686	2.78	1.283	51.7142	73.2344	1.9396	237.628305599295
Cond-013805	CPD000469232	CPD000469232	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.045303663826	CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl	InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H	C11H13Cl3N2O	295.593	3	1	33.62	2	3	0	0.5511	3.16088	2.12	2.502	40.008	69.7327	1.7724	213.859420038295
Cond-013806	CPD000469233	CPD000469233	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.308761396089	O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2.Cl	InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1	C19H25ClN2O	332.868	3	0	23.55	3	1	0	-1.7838	2.62489	3.22	3.702	56.2438	89.1310000000001	2.329	284.735785401963
Cond-013807	CPD000469235	CPD000469235	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.2913143583192	CO[C@H]1[C@@H](CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(=O)C	InChI=1S/C42H69NO15/c1-23(2)19-33(48)58-42(8)22-34(53-27(6)40(42)50)56-37-26(5)54-41(36(49)35(37)43(9)10)57-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-32(47)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1	C42H69NO15	827.995	16	3	206.05	3	14	2	-0.798400000000002	3.09967000000001	4.32	2.951	207.9538	212.554399999999	6.42290000000002	824.94984539658
Cond-013808	CPD000469280	CPD000469280	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	81.6448809331503	COc1ccc2n([Mg]n3c(nc4cc(OC)ccc34)S(=O)Cc3ncc(C)c(OC)c3C)c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C	InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2	C34H36MgN6O6S2	713.121	12	0	170.9	6	12	1	1.368	7.60054	3.55	2.514	84.8224	190.284	4.858	NA
Cond-013809	CPD000469282	CPD000469282	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.770786700027	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1.[Br-]	InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1	C19H28BrNO3	398.335	4	1	46.53	3	5	0	-2.7617	2.34909	3.11	3.625	55.8162	91.1012000000001	2.5853	317.350625346918
Cond-013810	CPD000469284	CPD000469284	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.691287561774	C[N+]1(CCC(C(=O)N)(c2ccccc2)c2ccccc2)CCCCC1.[Br-]	InChI=1S/C22H28N2O.BrH/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H	C22H29BrN2O	417.382	3	2	43.09	3	6	1	-2.9198	3.47979	3.55	6.214	43.0819	104.4218	2.8614	343.845509929163
Cond-013811	CPD000469285	CPD000469285	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	103.61203228853	CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1	InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)	C20H21N3O7S	447.462	10	1	132.51	3	9	0	-0.763199999999999	2.52607	2.45	4.508	60.9622	106.4537	3.0876	384.909538394563
Cond-013812	CPD000469287	CPD000469287	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	23.4977119229998	O[C@H](C[C@H](O)/C=C/c1c(nc2ccccc2c1c1ccc(F)cc1)C1CC1)CC(=O)O[Ca]OC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(nc2ccccc2c1c1ccc(F)cc1)C1CC1	InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1	C50H46CaF2N2O8	880.984	10	4	159.3	8	20	2	-0.426199999999999	9.53884999999998	5.53	10.804	97.15	236.626699999999	6.06380000000002	NA
Cond-013813	CPD000469287	CPD000469287	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	8.30816357470261	O[C@H](C[C@H](O)/C=C/c1c(nc2ccccc2c1c1ccc(F)cc1)C1CC1)CC(=O)O[Ca]OC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(nc2ccccc2c1c1ccc(F)cc1)C1CC1	InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1	C50H46CaF2N2O8	880.984	10	4	159.3	8	20	2	-0.426199999999999	9.53884999999998	5.53	10.804	97.15	236.626699999999	6.06380000000002	NA
Cond-013814	CPD000469289	CPD000469289	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.324877332386	CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@@]43C(=O)O[C@H]2[C@]14C.[C@]123C(O1)C[C@@]1([C@@]2(C)[C@H](OC3=O)[C@@H]2OC(=O)[C@H]1[C@@H]2C(=C)C)O	InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7-,8-,9-,13-,14-,15+;6?,7-,8+,9+,10+,13+,14+,15-/m10/s1	C30H34O13	602.583	7	2	105.59	5	1	0	-1.3068	-0.63331	2.34	-0.988	66.8982	71.5586	2.004	262.472604087128
Cond-013815	CPD000469290	CPD000469290	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	95.7943198583932	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O	InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1	C39H54N6O8S	766.946	11	6	166.75	5	16	3	-2.6687	3.73148000000001	4.43	6.478	111.7937	192.4978	5.29610000000001	649.615771321939
Cond-013816	CPD000469292	CPD000469292	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	16.8365401619124	CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1.Cl	InChI=1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H	C26H28Cl2N2O	455.419	3	0	23.55	4	7	1	0.267399999999999	6.27698000000001	3.88	7.1	49.0831	128.64	3.2883	395.756452049464
Cond-013817	CPD000469292	CPD000469292	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	74.7814938861218	CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1.Cl	InChI=1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H	C26H28Cl2N2O	455.419	3	0	23.55	4	7	1	0.267399999999999	6.27698000000001	3.88	7.1	49.0831	128.64	3.2883	395.756452049464
Cond-013818	CPD000469293	CPD000469293	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	22.0179960073606	Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.ON(=O)=O	InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)	C18H14Cl4N4O4	492.14	4	0	39.41	3	6	1	2.5405	5.92799	2.56	5.387	42.8568	107.879	2.7797	329.011455963596
Cond-013819	CPD000469294	CPD000469294	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	41.789214151244	CC(COc1ccccc1Cc1ccccc1)N1CCCCC1.OP(=O)(O)O	InChI=1S/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)	C21H30NO5P	407.44	2	0	12.47	3	6	1	-0.513	4.89850000000001	3.55	7.328	41.2861	97.3770000000001	2.6422	316.87099444553
Cond-013820	CPD000469592	CPD000469592	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.621999318626	COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]	InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1	C16H14F2N3NaO4S	405.352	7	0	88.69	3	7	0	NA	-0.87943	2.01	0.0789999999999999	NA	73.7905	3.3662	NA
Cond-013821	CPD000469593	CPD000469593	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.691287561774	CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)c1ccccc1c1nnn[n-]1.[K+]	InChI=1S/C22H22ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3;/q-1;+1	C22H22ClKN6O	461.001	7	1	72.91	4	8	0	NA	-1.4826	2.89	3.24	NA	90.8308	4.5456	NA
Cond-013822	CPD000469594	CPD000469594	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.033892646897	CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1.[Na+]	InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1	C19H17N2NaO4S	392.404	6	0	85.62	3	6	0	-0.6885	4.861	2.78	4.803	33.8826	99.994	2.6493	318.027884108446
Cond-013823	CPD000469631	CPD000469631	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.277424477941	OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12.O.Cl	InChI=1S/C15H21N5O5.ClH.H2O/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22;;/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19);1H;1H2/t7-,8-,9+,11?,12-,15+;;/m0../s1	C15H24ClN5O6	405.834	10	5	145.78	4	4	0	-3.3747	-0.71291	2.01	-0.761	51.6895	87.1709	2.4082	285.15949302604
Cond-013824	CPD000469632	CPD000469632	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.17969945206	Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1	InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	C14H17ClN4S	308.83	4	3	89.86	2	8	0	0.947099999999999	2.62949	2.34	3.671	42.1966	86.5474	2.2911	266.075706517234
Cond-013825	CPD000469633	CPD000469633	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	82.8021127827993	O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1.Br	InChI=1S/C20H26N2O4.BrH/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15;/h1-2,5-6,15,21H,3-4,7-14H2;1H	C20H27BrN2O4	439.343	6	1	67.87	4	5	0	-2.2423	2.86008	3	2.581	68.4408	101.3817	2.7116	338.122450129513
Cond-013826	CPD000471612	CPD000471612	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	58.9869272072067	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O	InChI=1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-	C22H23N3O7S	473.499	6	1	96.83	3	7	0	0.240599999999999	3.25188	2.67	2.641	48.004	101.7327	2.614	317.793121041385
Cond-013827	CPD000471616	CPD000471616	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.487748093231	CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O	InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1	C20H23BrN2O4	435.312	2	0	16.13	2	5	0	0.7959	4.3709	2.89	4.626	34.0872	83.7730000000001	2.2624	264.237682502167
Cond-013828	CPD000471617	CPD000471617	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.129194305795	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O	InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1	C20H23ClN2O4	390.861	2	0	16.13	2	5	0	0.6514	4.2618	2.89	4.288	31.1037	81.083	2.2098	260.165131295034
Cond-013829	CPD000471618	CPD000471618	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	9.60019502672745	CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12.OC(=O)/C=C\C(=O)O	InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-	C20H27N5O5	417.459	6	4	87.79	2	8	0	-2.0012	2.42588	2.56	3.939	48.5254	93.8831	2.4455	286.734570849662
Cond-013830	CPD000471618	CPD000471618	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	78.6429409518643	CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12.OC(=O)/C=C\C(=O)O	InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-	C20H27N5O5	417.459	6	4	87.79	2	8	0	-2.0012	2.42588	2.56	3.939	48.5254	93.8831	2.4455	286.734570849662
Cond-013831	CPD000471619	CPD000471619	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.249776968713	CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.OC(=O)/C=C/C(=O)O	InChI=1S/C18H31NO4.C4H4O4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	C22H35NO8	441.515	5	2	59.95	1	12	1	-1.231	2.52719	2.89	2.369	68.0714	93.1315000000001	2.7418	334.876014173613
Cond-013832	CPD000471620	CPD000471620	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	101.437180048494	COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.O.OC(=O)/C=C/C(=O)O	InChI=1S/C19H24N2O4.C4H4O4.H2O/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8;/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;/t13-,19+;;/m0../s1	C23H30N2O9	478.492	6	4	90.82	2	9	0	-2.072	2.71618	2.89	2.552	46.811	99.6240000000001	2.7019	329.366465503646
Cond-013833	CPD000471621	CPD000471621	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.995095250964	Nc1nc(N)nc(n1)c1cc(Cl)ccc1Cl.OC(=O)/C=C\C(=O)O	InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-	C13H11Cl2N5O4	372.164	5	4	90.71	2	1	0	-0.0112000000000001	3.27377	1.68	1.509	19.6754	68.1148	1.6453	187.2945873089
Cond-013834	CPD000471622	CPD000471622	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	52.8124895385573	CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1.OC(=O)/C=C\C(=O)O	InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C26H33NO9	503.542	6	0	57.23	2	10	0	-0.538699999999998	3.36359	3.22	4.595	58.356	110.722	3.0835	379.047885873641
Cond-013835	CPD000471623	CPD000471623	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	76.3374316925967	OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12.OC(=O)/C=C/C(=O)O	InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	C25H29N3O6S	499.579	5	1	73.6	4	6	0	-0.394399999999999	2.18678	3.11	3.855	61.2714	105.5888	2.9124	351.170848218424
Cond-013836	CPD000471625	CPD000471625	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.749990852777	CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1.[Br-]	InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1	C34H57BrN2O4	637.731	6	0	55.84	6	6	1	-2.1076	6.19979000000001	4.54	6.777	142.9233	159.6134	4.6175	575.680922942846
Cond-013837	CPD000471626	CPD000471626	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.838442595135	COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.[O-]S(=O)(=O)c1ccccc1	InChI=1S/C53H72N2O12.C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;1-5H,(H,7,8,9)/q+2;/p-1	C59H77N2O15S+	1086.31	14	0	126.44	6	26	2	-3.4694	7.61718999999999	5.75	6.342	154.0398	257.008799999999	7.26970000000003	900.707169379598
Cond-013838	CPD000471847	CPD000471847	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	8.43750014551915	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	C12H7Cl3O2	289.542	2	1	29.46	2	2	0	1.6185	6.01608	2.23	4.009	21.0305	74.133	1.8088	216.990261317222
Cond-013839	CPD000471847	CPD000471847	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.6359924789664	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	C12H7Cl3O2	289.542	2	1	29.46	2	2	0	1.6185	6.01608	2.23	4.009	21.0305	74.133	1.8088	216.990261317222
Cond-013840	CPD000471860	CPD000471860	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.692707480429	Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1	InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	C19H19N7O6	441.397	13	7	213.54	3	10	2	-3.1437	1.07227	2.12	-2.755	47.4626	115.3027	3.0377	368.128426441602
Cond-013841	CPD000471864	CPD000471864	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	86.7803925811073	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	C38H72N2O12	748.984	14	5	180.08	3	7	1	-2.5265	2.13459000000001	4.1	1.888	188.5654	197.422	5.99800000000002	753.574280503597
Cond-013842	CPD000471872	CPD000471872	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.239175820875	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1	C10H13N5O4	267.241	9	5	139.54	3	2	0	-2.2791	-1.45601	1.57	-1.809	34.5164	64.3148	1.7536	202.245801896945
Cond-013843	CPD000471882	CPD000471882	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	57.1115951922819	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	C13H12F2N6O	306.271	7	1	81.65	3	5	0	0.2638	0.0557899999999992	1.9	0.767	21.833	71.6558	2.0064	232.085577479241
Cond-013844	CPD000471882	CPD000471882	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	14.3595607724293	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	C13H12F2N6O	306.271	7	1	81.65	3	5	0	0.2638	0.0557899999999992	1.9	0.767	21.833	71.6558	2.0064	232.085577479241
Cond-013845	CPD000471888	CPD000471888	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	49.3055007569828	C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](O)[C@@H]1O	InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1	C26H44O9	500.622	9	4	146.05	2	17	1	-2.9883	2.75258	3.33	2.451	117.3531	131.6272	3.9541	504.741805774386
Cond-013846	CPD000471891	CPD000471891	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	13.0810512032402	C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-	C20H28O2	300.435	2	1	37.3	1	5	1	3.8871	5.46744000000001	3.44	6.254	96.6302	95.6548000000001	2.6774	343.881393713657
Cond-013847	CPD000471891	CPD000471891	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	79.3463700910314	C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-	C20H28O2	300.435	2	1	37.3	1	5	1	3.8871	5.46744000000001	3.44	6.254	96.6302	95.6548000000001	2.6774	343.881393713657
Cond-013848	CPD000471892	CPD000471892	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	64.1796887551027	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]43CCC(=O)O4)[C@H]12	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	C24H32O4S	416.573	4	0	85.74	5	2	0	1.4012	5.01238000000001	3.55	3.445	112.217	115.183	3.1735	405.001892274247
Cond-013849	CPD000472526	CPD000472526	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.727583306256	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1	InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	C13H18ClNO	239.741	2	1	29.1	1	4	0	0.987899999999998	3.26769	2.56	3.506	42.9836	71.1547	1.9406	234.600020012228
Cond-013850	CPD000472527	CPD000472527	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.8507582122012	CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1.O.Cl	InChI=1S/C17H26ClN.ClH.H2O/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;;/h6-9,13,16H,5,10-12H2,1-4H3;1H;1H2	C17H29Cl2NO	334.324	1	0	3.24	2	5	1	1.2072	4.738	3.11	5.608	57.2874	83.9110000000001	2.3799	285.273731815134
Cond-013851	CPD000499525	CPD000499525	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.620795491348	O[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m1/s1	C15H12O7	304.252	7	5	127.45	3	1	0	-2.9269	0.813590000000001	2.34	0.0280000000000001	26.5088	75.493	2.0062	252.203227984728
Cond-013852	CPD000499573	CPD000499573	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	11.281745901645	COc1cc(C)c(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)c(C)c1C	InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+	C21H26O3	326.429	3	1	46.53	1	6	1	4.2917	4.76582000000001	3.44	6.029	80.8047	101.2018	2.791	353.794687638485
Cond-013853	CPD000499573	CPD000499573	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	85.9235154337802	COc1cc(C)c(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)c(C)c1C	InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+	C21H26O3	326.429	3	1	46.53	1	6	1	4.2917	4.76582000000001	3.44	6.029	80.8047	101.2018	2.791	353.794687638485
Cond-013854	CPD000499578	CPD000499578	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.144974079788	CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12.Cl	InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H	C16H25ClN2O2	312.835	4	1	45.33	3	3	0	0.3458	1.62881	2.78	1.235	65.3323	81.972	2.2252	268.987434327323
Cond-013855	CPD000499579	CPD000499579	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	62.4000030674886	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1	C20H26O2	298.419	2	1	37.3	4	0	0	0.950399999999997	3.73217	3.44	3.244	84.4142	88.2038000000001	2.4376	312.084935012857
Cond-013856	CPD000499581	CPD000499581	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.406188186295	CCCC(CCC)C(=O)O	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	C8H16O2	144.211	2	1	37.3	0	5	0	-0.3467	2.52129	2.12	2.742	37.3651	44.1848	1.3102	161.868330408056
Cond-013857	CPD000499582	CPD000499582	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.190241841914	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl	InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1	C25H31ClN2O5	474.977	7	2	95.94	3	11	2	-1.605	2.46149	3.44	6.38	67.4647	122.3885	3.4114	424.303223857008
Cond-013858	CPD000499584	CPD000499584	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.416620494745	Clc1ccc2nsnc2c1NC1=NCCN1.Cl	InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H	C9H9Cl2N5S	290.172	5	2	90.44	3	2	0	0.6644	2.21358	1.68	1.563	33.8464	67.4104	1.6208	180.872543596067
Cond-013859	CPD000525252	CPD000525252	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.174820214172	CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.OC(=O)c1ccccc1	InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)	C22H25N5O2	391.466	5	1	49.74	3	5	0	0.0893999999999998	1.7022	2.56	1.349	34.3656	80.399	2.1373	237.391900822434
Cond-013860	CPD000539527	CPD000539527	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.115826348934	Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)[O-])c1c(Cl)cccc1Cl.[Na+]	InChI=1S/C19H17Cl2N3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1	C19H16Cl2N3NaO5S	492.308	8	1	140.87	4	5	0	0.589499999999999	1.7954	2.34	2.41	69.7919	114.2422	2.987	369.41700655804
Cond-013861	CPD000544948	CPD000544948	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.080812109635	Sc1[nH]cnc2ncnc12	InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	C5H4N4S	152.177	4	1	93.26	2	0	0	0.0906	0.97008	1.46	0.254	11.9916	41.45	0.9866	100.4736945156
Cond-013862	CPD000550473	CPD000550473	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.749997125548	Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	C17H14F3N3O2S	381.372	5	2	85.84	3	4	1	0.8168	4.344	2.34	5.417	25.9763	87.6074	2.4675	299.009586265876
Cond-013863	CPD000550475	CPD000550475	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	9.06862759685802	COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1	C16H16ClNO2S	321.822	3	0	57.78	3	4	0	0.9374	2.68478	2.67	3.886	43.9543	82.903	2.2823	272.90138984479
Cond-013864	CPD000550475	CPD000550475	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.8031727085918	COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1	C16H16ClNO2S	321.822	3	0	57.78	3	4	0	0.9374	2.68478	2.67	3.886	43.9543	82.903	2.2823	272.90138984479
Cond-013865	CPD000550478	CPD000550478	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.945624133093	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)c2nccnc12)c1ccc(Cl)cn1	InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1	C17H17ClN6O3	388.808	9	0	91.76	4	4	0	0.3196	2.21707	2.23	0.587	52.4709	101.2285	2.6228	317.833002052052
Cond-013866	CPD000550486	CPD000550486	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	105.796701028047	CN1CCN2[C@@H](C1)c1ccccc1Cc1cccnc21	InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m0/s1	C17H19N3	265.353	3	0	19.37	4	0	0	0.569299999999999	2.4101	3	3.613	33.6282	80.5770000000001	2.1109	248.533890957034
Cond-013867	CPD000596519	CPD000596519	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.127533429651	NS(=O)(=O)Cc1noc2ccccc12	InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	C8H8N2O3S	212.226	5	2	94.57	2	2	0	-1.079	0.61479	1.68	1.028	17.4729	48.1214	1.3858	156.73880807855
Cond-013868	CPD000653467	CPD000653467	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	118.958335888003	CN/C(=C\N(=O)=O)/NCCSCc1ccc(CN(C)C)o1.Cl	InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;	C13H23ClN4O3S	350.865	7	2	108.88	1	10	0	0.0233000000000012	0.54599	2.01	2.123	66.3721	86.9214	2.3985	288.468710325017
Cond-013869	CPD000653523	CPD000653523	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	116.54947783072	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	C21H30O5	362.46	5	3	94.83	4	2	0	-1.1216	1.94168	3.22	0.553	96.3667	98.1154000000001	2.7976	358.388058441208
Cond-013870	CPD000653524	CPD000653524	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	10.4536084382285	C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	C24H34O4	386.524	4	0	60.44	4	3	0	0.573599999999998	4.81528000000001	3.66	4.279	106.3888	109.408	3.1186	398.849326917447
Cond-013871	CPD000653536	CPD000653536	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.934892015477	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C	InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1	C23H32O6	404.497	6	2	100.9	4	4	0	-0.742500000000001	2.51248	3.33	0.864	105.5182	107.6626	3.0951	399.133795692702
Cond-013872	CPD000673569	CPD000673569	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.068979145924	Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1	C10H12N2O4	224.213	6	2	78.87	2	2	0	-0.411200000000001	-0.19833	1.9	-0.718	54.5163	56.7245	1.5628	203.411979973245
Cond-013873	CPD000673570	CPD000673570	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.70702743420132	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1	C24H36O5	404.54	5	1	72.83	3	7	0	-0.0992000000000004	4.28177000000001	3.55	4.574	105.6455	113.5408	3.2859	419.996012318808
Cond-013874	CPD000718755	CPD000718755	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	88.9748271631127	COC1=CC(=O)C[C@@H](C)[C@@]21Oc1c(C2=O)c(OC)cc(OC)c1Cl	InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1	C17H17ClO6	352.766	6	0	71.06	3	3	0	-0.295200000000001	3.47117	2.56	0.911	64.8328	91.1595	2.3947	306.752497007134
Cond-013875	CPD000718757	CPD000718757	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	94.7991501998703	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1	C24H32O6	416.507	6	2	100.9	4	4	0	-0.600800000000003	2.46067	3.44	1.836	110.4306	111.8456	3.193	413.793321617769
Cond-013876	CPD000718761	CPD000718761	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.888022120774	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	C21H28O5	360.444	5	3	94.83	4	2	0	-0.857700000000002	1.64387	3.22	1.021	97.1956	97.7514000000001	2.7546	355.751599740408
Cond-013877	CPD000718771	CPD000718771	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.018561550387	CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl	InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H	C13H21ClN2O2	272.771	4	2	55.56	1	7	0	-0.0991999999999988	1.73579	2.45	2.023	42.8172	71.9464	1.9767	239.175939150523
Cond-013878	CPD000718785	CPD000718785	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	10.439443599367	CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1	C25H38O5	418.566	5	1	72.83	3	7	0	1.0638	4.67187000000001	3.66	4.775	111.4563	118.1578	3.4268	437.291996944675
Cond-013879	CPD000718785	CPD000718785	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	86.1251658332096	CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1	C25H38O5	418.566	5	1	72.83	3	7	0	1.0638	4.67187000000001	3.66	4.775	111.4563	118.1578	3.4268	437.291996944675
Cond-013880	CPD000718798	CPD000718798	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.835669253778	CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1.Cl	InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H	C32H40ClNO4	538.117	5	3	81	4	10	1	-1.9916	4.82949000000001	4.43	8.403	63.1579	147.0984	4.0876	499.695211927748
Cond-013881	CPD000718800	CPD000718800	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	93.0999202280436	CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc1ncc(C)s1	InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)	C14H13N3O4S2	351.401	7	2	136.22	3	3	0	-0.981000000000001	1.78609	2.01	2.829	49.0576	79.1525	2.3156	278.544891996878
Cond-013882	CPD000718805	CPD000718805	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.724411615817	ClCCN(CCCl)P1(=O)NCCCO1.O	InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2	C7H17Cl2N2O3P	279.101	4	1	51.38	1	5	0	0.084099999999999	0.5422	1.46	0.835	55.7243	54.4052	1.7527	207.095255147389
Cond-013883	CPD000857209	CPD000857209	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.733170760815	CNCC(O)c1ccc(O)c(O)c1	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	C9H13NO3	183.204	4	4	72.72	1	3	0	-1.7378	0.38009	2.01	-0.07	24.8006	50.2993	1.415	170.42192584025
Cond-013884	CPD000857229	CPD000857229	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.282478436391	NCC(=O)CCC(=O)O	InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)	C5H9NO3	131.13	4	3	80.39	0	4	0	-1.3857	-0.38711	1.57	-1.549	30.4478	34.1742	1.003	127.130904738383
Cond-013885	CPD000857239	CPD000857239	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.323809557634	Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1	C8H12N4O5	244.205	9	5	140.97	2	2	0	-2.9436	-3.40263	1.35	-2.892	50.6896	59.5938	1.5823	202.240216539206
Cond-013886	CPD000857275	CPD000857275	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	99.6744794799371	COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	C20H24N2O2	324.417	4	1	45.59	2	4	0	-0.513600000000002	3.21819000000001	3.22	2.662	52.1148	95.2858000000001	2.5512	307.005538027591
Cond-013887	CPD000875213	CPD000875213	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.14623748563	CC12CC3CC(C)(C1)CC(C2)(N)C3.Cl	InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H	C12H22ClN	215.763	1	2	26.02	0	0	0	1.0069	2.6941	2.67	3.524	54.0579	54.3244	1.5734	190.035658316967
Cond-013888	CPD000875233	CPD000875233	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	6.88974841275174	O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F.Cl	InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1	C17H17ClF6N2O	414.773	3	2	45.15	3	4	1	0.3623	3.8845	2.34	5.173	38.9766	81.3215000000001	2.3276	297.725627952867
Cond-013889	CPD000875264	CPD000875264	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	88.0082457435892	CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC.Cl	InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H	C16H27ClN2O3	330.85	5	2	64.79	1	10	0	-0.478399999999999	3.02538	2.67	2.36	57.9588	89.7934	2.4581	299.854119728684
Cond-013890	CPD000875314	CPD000875314	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	14.7502170376285	COc1cc(NC(C)CCCN)c2ncccc2c1.OP(=O)(O)O	InChI=1S/C15H21N3O.H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)	C15H24N3O5P	357.342	4	3	60.17	2	6	0	-1.7856	3.18789	2.67	2.133	34.6699	80.7091	2.148	250.081524508262
Cond-013891	CPD000875314	CPD000875314	10-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	89.2567224673622	COc1cc(NC(C)CCCN)c2ncccc2c1.OP(=O)(O)O	InChI=1S/C15H21N3O.H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)	C15H24N3O5P	357.342	4	3	60.17	2	6	0	-1.7856	3.18789	2.67	2.133	34.6699	80.7091	2.148	250.081524508262
Cond-013892	CPD001227191	CPD001227191	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.614160028568	NC(=O)N1c2ccccc2C=Cc2ccccc12	InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)	C15H12N2O	236.269	3	2	46.33	3	1	0	-0.1599	3.22067	2.78	4.16	20.2612	74.9584	1.8106	218.818929496895
Cond-013893	CPD001227192	CPD001227192	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.659617942743	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	C22H29FO5	392.461	5	3	94.83	4	2	0	-0.943999999999999	1.98197	3.22	1.138	101.2953	102.6474	2.9132	379.115143216581
Cond-013894	CPD001227202	CPD001227202	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.08072843705	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1	C21H26O5	358.428	5	2	91.67	4	2	0	-0.7488	1.85207	3.22	0.608	96.3116	96.7516000000001	2.7116	353.115141039608
Cond-013895	CPD001227203	CPD001227203	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.190241841914	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c4=NC5(CCN(CC(C)C)CC5)N=c4c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c2c(O)c3C	InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,52-55H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1	C46H62N4O11	847.005	15	5	209.04	5	5	1	-0.953199999999999	4.93467000000001	4.87	3.051	193.8621	232.183399999999	6.46730000000002	817.275029415103
Cond-013896	CPD001233272	CPD001233272	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	31.4021642004341	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1	C24H31FO6	434.498	6	2	93.06	5	2	0	-0.522100000000002	2.36097	3.33	1.122	110.3183	111.2316	3.1451	410.140880468076
Cond-013897	CPD001233361	CPD001233361	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	45.2450478364787	CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C	InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1	C28H37ClO7	521.042	7	1	106.97	4	8	0	0.231200000000001	4.17307	3.66	2.832	134.3884	135.7208	3.8947	504.342095891431
Cond-013898	CPD001307702	CPD001307702	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	119.321890046152	Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C	InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	C18H19N3O	293.363	4	0	39.82	4	2	0	0.294300000000001	3.6816	3	2.923	39.9748	90.297	2.2675	261.083643582662
Cond-013899	CPD001317850	CPD001317850	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.530030596596	CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+]	InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1	C16H18N3NaO4S	371.387	7	3	140.86	3	5	0	-2.0915	-1.12381	2.34	-0.777	58.754	88.8651	2.4554	306.846066541412
Cond-013900	CPD001317855	CPD001317855	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	76.9217165127879	CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c1ccccc1)/c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H36ClNO8	598.083	2	0	12.47	3	9	1	1.2286	6.77178000000001	3.99	9.846	47.7372	124.585	3.2971	397.116150542097
Cond-013901	CPD001317855	CPD001317855	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	10.8791726808549	CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c1ccccc1)/c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O	InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;	C32H36ClNO8	598.083	2	0	12.47	3	9	1	1.2286	6.77178000000001	3.99	9.846	47.7372	124.585	3.2971	397.116150542097
Cond-013902	CPD001317860	CPD001317860	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	114.869791015873	Cc1cc(=O)oc2cc(NC(=O)C3CCC(=O)N3)ccc12	InChI=1S/C15H14N2O4/c1-8-6-14(19)21-12-7-9(2-3-10(8)12)16-15(20)11-4-5-13(18)17-11/h2-3,6-7,11H,4-5H2,1H3,(H,16,20)(H,17,18)	C15H14N2O4	286.283	6	2	84.5	3	3	0	-0.9635	1.77797	2.45	1.056	46.4838	79.7644	2.0297	258.726068299378
Cond-013903	CPD001370746	CPD001370746	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.304688076013	NC12CC3CC(CC(C3)C1)C2.Cl	InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H	C10H18ClN	187.71	1	2	26.02	0	0	0	-1.5787	1.9139	2.45	2.312	44.1259	45.0904	1.2916	155.443689065234
Cond-013904	CPD001370748	CPD001370748	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.968745901211	CN/C(=N\C#N)/NCCSCc1[nH]cnc1C	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)	C10H16N6S	252.339	6	3	114.19	1	7	0	0.412199999999999	0.3793	1.79	0.985	54.5146	73.1234	1.9563	229.567138061267
Cond-013905	CPD001370749	CPD001370749	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	11.814946816919	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=N(=O)[O-]	InChI=1S/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1	C18H15Cl3N3O4-	443.688	3	0	27.05	3	6	0	2.0648	5.52599	2.78	4.815	34.1862	97.178	2.6005	305.440086685796
Cond-013906	CPD001370749	CPD001370749	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	13.7369787523413	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=N(=O)[O-]	InChI=1S/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1	C18H15Cl3N3O4-	443.688	3	0	27.05	3	6	0	2.0648	5.52599	2.78	4.815	34.1862	97.178	2.6005	305.440086685796
Cond-013907	CPD001370750	CPD001370750	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	41.3541678469887	CCc1cc(ccn1)C(=S)N	InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)	C8H10N2S	166.243	2	2	71	1	2	0	0.0275999999999998	1.68339	2.01	1.332	24.2427	50.5434	1.3183	153.624586677667
Cond-013908	CPD001370751	CPD001370751	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	65.5598932766427	OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1.OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c1O	InChI=1S/C23H16O6.C21H27ClN2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2/p-1	C44H42ClN2O8-	762.266	6	3	117.89	4	4	1	-1.6218	3.26279	3.33	6.342	21.891	110.0071	2.7296	333.123896735901
Cond-013909	CPD001370753	CPD001370753	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.307287862958	CC(N)(Cc1ccc(O)c(O)c1)C(=O)O	InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)	C10H13NO4	211.215	5	5	103.78	1	3	0	-1.4345	0.676190000000001	2.01	-2.001	29.3607	56.9468	1.5716	193.871678465878
Cond-013910	CPD001453705	CPD001453705	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	74.9690744059666	CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1	InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3	C21H27NO3	341.444	4	2	58.56	2	11	2	-1.4537	3.20979000000001	3.33	5.517	48.5891	103.2195	2.8252	344.171447846652
Cond-013911	CPD001453706	CPD001453706	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.83679299541233	Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2	C19H20FNO3	329.365	4	1	39.72	4	4	0	-0.991100000000001	3.98917	3	4.062	36.6876	94.4347	2.3869	293.570578744424
Cond-013912	CPD001453708	CPD001453708	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	7.82495473967821	CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c2ccccc12	InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1	C24H26FNO4	411.466	5	3	82.69	3	8	0	-0.501499999999999	5.13287000000001	3.44	4.958	55.8895	119.7404	3.1297	382.38781117272
Cond-013913	CPD001453708	CPD001453708	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	73.1206298376972	CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c2ccccc12	InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1	C24H26FNO4	411.466	5	3	82.69	3	8	0	-0.501499999999999	5.13287000000001	3.44	4.958	55.8895	119.7404	3.1297	382.38781117272
Cond-013914	CPD001453712	CPD001453712	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	106.77926037791	CC(C)NCC(O)c1cc(O)cc(O)c1	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	C11H17NO3	211.258	4	4	72.72	1	4	0	-1.7879	1.15869	2.23	0.384	34.2992	59.5113	1.6968	205.013895091983
Cond-013915	CPD001453715	CPD001453715	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.559176020738	OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)	C21H25ClN2O3	388.888	5	1	53.01	3	8	0	0.194200000000001	3.02429	3.11	4.214	56.4831	107.7428	2.9388	358.022817124452
Cond-013916	CPD001456372	CPD001456372	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.96701075793808	COC(=O)C1=C(C)N=C(C)/C(=C(/O)\OCCN(C)Cc2ccccc2)/C1c1cccc(c1)N(=O)=O.Cl	InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,31H,13-14,16H2,1-4H3;1H/b26-23+;	C26H30ClN3O6	515.986	9	1	114.5	3	10	1	1.0679	4.02156000000001	3.33	5.589	79.4796	136.6808	3.6248	456.113277990003
Cond-013917	CPD001456372	CPD001456372	5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	79.9604742151747	COC(=O)C1=C(C)N=C(C)/C(=C(/O)\OCCN(C)Cc2ccccc2)/C1c1cccc(c1)N(=O)=O.Cl	InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,31H,13-14,16H2,1-4H3;1H/b26-23+;	C26H30ClN3O6	515.986	9	1	114.5	3	10	1	1.0679	4.02156000000001	3.33	5.589	79.4796	136.6808	3.6248	456.113277990003
Cond-013918	CPD001456519	CPD001456519	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.802063810251	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1	C13H24N4O3S	316.42	7	2	107.98	2	7	0	0.467699999999999	1.00329	2.01	0.254	70.9659	84.2595000000001	2.3759	281.385169025818
Cond-013919	CPD001491644	CPD001491644	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.482478495381	Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cnnn2)C3=O)C(=O)[O-])s1.[Na+]	InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1	C14H13N8NaO4S3	476.489	12	1	237.76	4	8	1	-0.728999999999999	-2.19811	1.35	-1.083	80.9146	99.0777	2.805	335.726570343313
Cond-013920	CPD001491654	CPD001491654	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.255673796972	CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+]	InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1	C16H17KN2O4S	372.48	6	1	114.84	3	5	0	-1.1497	-0.240010000000001	2.45	2.642	55.7583	86.4187	2.3556	295.849306333245
Cond-013921	CPD001491659	CPD001491659	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	49.2618572935489	CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC1C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC1(C)O)N(C)C	InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3	C43H75NO16	862.053	17	4	226.28	3	14	2	-1.7617	2.91369000000001	4.32	1.995	210.5885	219.241199999999	6.70850000000002	856.308974124608
Cond-013922	CPD001491664	CPD001491664	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	83.4582881913961	CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C	InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3	C28H35FO7	502.572	7	1	99.13	6	4	0	-1.53540000000001	3.61007	3.66	2.34	119.5164	127.9688	3.6158	473.122128270504
Cond-013923	CPD001491671	CPD001491671	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	84.5662425243861	CC/C(=C(\c1ccccc1)/c1ccc(OCCN(C)C)cc1)/c1ccccc1	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	C26H29NO	371.515	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-013924	CPD001491671	CPD001491671	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	10.5649486878965	CC/C(=C(\c1ccccc1)/c1ccc(OCCN(C)C)cc1)/c1ccccc1	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	C26H29NO	371.515	2	0	12.47	3	8	1	0.470400000000001	6.20528000000001	4.1	10.756	43.5638	119.789	3.1747	381.905082771664
Cond-013925	CPD001491672	CPD001491672	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.5731999618137	CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=C(C)C(=O)c2ccccc2C1=O)/C	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+	C31H46O2	450.696	2	0	34.14	2	14	2	2.7425	8.97837	4.65	12.011	110.6253	143.3775	4.0757	508.244307196592
Cond-013926	CPD001496804	CPD001496804	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.055875720341	CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)/c1occc1	InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	C16H16N4O8S	424.385	12	4	199.06	3	9	0	-1.4906	-0.375919999999999	1.79	-0.457	78.5775	100.4469	2.7255	349.049045500624
Cond-013927	CPD001496929	CPD001496929	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	104.226802633754	CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O	InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	C20H23ClN2O5	406.86	3	0	25.36	2	6	0	0.780799999999999	3.5047	2.78	3.545	34.3484	81.64	2.2685	268.955357995595
Cond-013928	CPD001496930	CPD001496930	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	101.888661077611	CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O	InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)	C21H21ClN2O8	464.853	10	7	181.62	4	2	1	-3.2052	-0.20072	2.56	-0.191	86.637	111.9094	3.0807	397.881033225657
Cond-013929	CPD001496932	CPD001496932	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	29.5051551013662	CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO	InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3	C26H38O6	446.576	6	2	100.9	4	7	0	-1.2423	3.68278000000001	3.66	2.255	116.3649	121.5136	3.5178	451.021749570303
Cond-013930	CPD001496934	CPD001496934	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	110.082075515477	Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)[O-])c1ccccc1.[Na+]	InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1	C19H18N3NaO5S	423.418	8	1	140.87	4	5	0	-0.899100000000001	0.4886	2.56	2.851	58.5607	104.2222	2.7422	338.994871017174
Cond-013931	CPD001496938	CPD001496938	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.40107495337	Cn1nc(s/c/1=N\C(=O)C)S(=O)(=O)N	InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-	C5H8N4O3S2	236.272	7	2	138.87	1	2	0	-0.4085	-0.38943	1.02	-0.982	49.6971	54.0614	1.4778	182.146316076484
Cond-013932	CPD001496939	CPD001496939	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.10512385204	CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O	InChI=1S/C12H19NO3.H2O4S/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)	C12H21NO7S	323.363	4	4	72.72	1	4	0	-0.806500000000001	1.54879	2.34	0.801	38.6044	64.1283000000001	1.8377	222.30987971785
Cond-013933	CPD001496941	CPD001496941	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	108.365561950175	OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O	InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)	C9H11FN2O5	246.192	7	3	99.1	2	2	0	-2.2143	-1.02262	1.57	-1.4	48.9176	53.9123	1.5413	203.610239599046
Cond-013934	CPD001496943	CPD001496943	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.585816828865	NC(=O)c1ncn(n1)C1OC(CO)C(O)C1O	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)	C8H12N4O5	244.205	9	5	143.72	2	3	0	-2.164	-2.92431	1.35	-3.044	37.7358	55.0998	1.5823	191.340216539206
Cond-013935	CPD001496951	CPD001496951	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	16.1568893570982	CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)\OC)/C1c1cccc(Cl)c1Cl	InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,22H,5H2,1-4H3/b17-13+	C18H19Cl2NO4	384.254	5	1	68.12	2	5	0	2.0988	4.78856	2.67	3.345	74.08	101.8268	2.706	342.395856210479
Cond-013936	CPD001496951	CPD001496951	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	69.0805546439245	CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)\OC)/C1c1cccc(Cl)c1Cl	InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,22H,5H2,1-4H3/b17-13+	C18H19Cl2NO4	384.254	5	1	68.12	2	5	0	2.0988	4.78856	2.67	3.345	74.08	101.8268	2.706	342.395856210479
Cond-013937	CPD001496977	CPD001496977	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	87.6333683952322	NNCCc1ccccc1	InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	C8H12N2	136.194	2	3	38.05	1	3	0	-0.7487	0.6924	2.12	2.898	17.7481	42.3361	1.1978	137.752021320867
Cond-013938	CPD001550033	CPD001550033	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	98.3032103928937	CC1C2C(O)C3C(N(C)C)C(=O)C(=C(O)C3(O)C(=C2C(=O)c2c(O)cccc12)O)C(=O)N	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27,29-30,32H,1-3H3,(H2,23,31)	C22H24N2O8	444.435	10	7	181.62	4	2	1	-3.6067	-0.26133	2.78	0.432	85.4614	112.4779	3.09920000000001	399.965950081091
Cond-013939	CPD001551784	CPD001551784	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	122.167752064378	CO/N=C(\C(=O)NC1C2SCC(=C(N2C1=O)C(=O)[O-])COC(=O)C)/c1csc(N)n1.[Na+]	InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;	C16H16N5NaO7S2	477.447	12	3	229.88	3	9	0	-2.1708	-1.39193	1.68	-3.051	89.6195	107.7751	2.9086	368.446373715429
Cond-013940	CPD001563707	CPD001563707	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	146.057933164853	OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12.Cl	InChI=1S/C22H28N4O6.ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;/h1-4,23-30H,5-12H2;1H	C22H29ClN4O6	480.942	10	8	163.18	3	12	2	-3.9576	0.429280000000002	2.78	-2.166	71.848	123.2335	3.29	405.835475797102
Cond-013941	CPD001563899	CPD001563899	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	60.849959915768	CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C2(C)C=CC(=O)C=C12	InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3	C22H29FO4	376.462	4	2	74.6	4	1	0	-0.0788000000000026	3.00957	3.33	1.953	99.1795	101.2356	2.8545	370.32491651602
Cond-013942	CPD001566944	CPD001566944	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	113.933334335651	CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O.O	InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2	C10H16N2O5	244.244	6	6	115.81	1	4	0	-1.7005	0.180790000000001	1.9	-0.0589999999999999	33.7227	60.0825	1.6714	204.868438674045
Cond-013943	CPD001567029	CPD001567029	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	22.0052081110124	NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)	C15H12I3NO4	650.973	5	4	92.78	2	5	0	2.5615	4.68738	2.23	2.213	65.6519	117.393	2.8131	325.016171802809
Cond-013944	CPD001614498	CPD001614498	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	100.585933831705	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c1c(O)cccc1[C@@]3(C)O.Cl	InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,28-30,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1	C22H25ClN2O9	496.895	11	8	201.85	4	2	1	-4.0458	-1.49843	2.67	-0.9	87.5262	112.8557	3.1579	408.756176781652
Cond-013945	CPD001819784	CPD001819784	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.335649577376	Cc1ccc(cc1)N(CC1=NCCN1)c1ccc(O)cc1.Cl	InChI=1S/C17H19N3O.ClH/c1-13-2-4-14(5-3-13)20(12-17-18-10-11-19-17)15-6-8-16(21)9-7-15;/h2-9,21H,10-12H2,1H3,(H,18,19);1H	C17H20ClN3O	317.813	4	2	47.86	3	4	0	-0.6845	3.4577	2.89	3.73	33.4629	88.3427	2.2352	267.044117657595
Cond-013946	CPD001906766	CPD001906766	0.5-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	82.8266399736976	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C.Cl	InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1	C23H28ClN3O7	493.937	10	6	164.63	4	3	0	-2.8998	0.00737000000000054	2.89	0.342	94.1049	120.4826	3.2812	419.468468214563
Cond-013947	CPD001906766	CPD001906766	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	10.7942710778864	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C.Cl	InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1	C23H28ClN3O7	493.937	10	6	164.63	4	3	0	-2.8998	0.00737000000000054	2.89	0.342	94.1049	120.4826	3.2812	419.468468214563
Cond-013948	CPD001906767	CPD001906767	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	115.976559231882	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(/C=N/N1CCN(C)CC1)c(O)c4c3C2=O	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	C43H58N4O12	822.94	16	6	220.15	4	5	2	-1.1263	4.99357000000001	4.43	1.964	181.6868	226.561399999999	6.21190000000002	786.533760938865
Cond-013949	CPD001906768	CPD001906768	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	102.552079945971	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)c1ccccc1	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?	C17H23NO3	289.369	4	1	49.77	3	5	0	-1.8722	2.16479	2.89	3.538	47.6249	83.1988	2.282	281.440426744784
Cond-013950	CPD001906769	CPD001906769	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.777324809779	Cn1cccc/c/1=C\[NH+]=O.Cl	InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H/p+1/b7-6+;	C7H10ClN2O+	173.62	3	1	34.28	1	1	0	-0.916900000000001	-0.53133	1.9	0.688	39.3381	37.6457	1.0941	138.828034045161
Cond-013951	CPD001906770	CPD001906770	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.738146983238	CN(C)[C@H]1[C@@H]2C[C@@H]3C(C)c4cccc(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(=O)N)C1=O)O)O	InChI=1S/C22H24N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,8,10-11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30)/t8?,10-,11+,16+,22+/m1/s1	C22H24N2O7	428.435	9	6	161.39	4	2	0	-3.0336	0.502370000000001	2.89	1.673	84.3643	110.8666	3.0405	391.17572338053
Cond-013952	CPD001906774	CPD001906774	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	112.602064046212	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)C(CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1	C41H64O14	780.938	14	6	203.06	8	7	2	-3.67820000000001	2.37818000000001	4.43	2.174	184.464	195.5838	5.75250000000002	736.630415161186
Cond-013953	CPD001906775	CPD001906775	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	107.542271123321	CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1	InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	C20H30NO3+	332.457	4	1	46.53	3	6	0	-3.2771	3.08799	3.22	4.23	59.9222	96.7562000000001	2.7262	334.646609972785
Cond-013954	CPD001906776	CPD001906776	100-uM	NIHCC	NIHCC	TRUE	FALSE	FALSE	7.69484534474688	CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C	InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1	C22H28O3	340.456	3	0	43.37	4	2	0	1.3295	4.30297	3.55	3.984	93.5657	97.751	2.7351	352.830672264352
Cond-013955	CPD001906776	CPD001906776	10-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	76.5723181002312	CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C	InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1	C22H28O3	340.456	3	0	43.37	4	2	0	1.3295	4.30297	3.55	3.984	93.5657	97.751	2.7351	352.830672264352
Cond-013956	CPD001906777	CPD001906777	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	103.224744073627	CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.O	InChI=1S/C14H24N2O7.H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;/h5,7-13,15-16,18-20H,4H2,1-3H3;1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1	C14H26N2O8	350.365	9	5	129.51	3	2	0	-2.8577	-2.69171	2.01	-1.913	75.6018	79.6068	2.3229	294.519515979995
Cond-013957	CPD001906779	CPD001906779	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	111.574056033756	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(/C=N/N1CCN(CC1)C1CCCC1)c(O)c4c3C2=O	InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1	C47H64N4O12	877.031	16	6	220.15	5	6	2	-2.431	6.30637	4.87	3.223	191.0344	242.893399999999	6.66690000000002	843.361240741531
Cond-013958	CPD001906781	CPD001906781	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	8.77649371100956	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C	InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10?,14?,16-,17?,22?,27-/m0/s1	C27H29NO10	527.52	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-013959	CPD001906781	CPD001906781	1-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	90.9971282769984	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C	InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10?,14?,16-,17?,22?,27-/m0/s1	C27H29NO10	527.52	11	6	185.84	5	4	0	-3.7468	1.45208	3.22	-1.071	83.5857	137.6905	3.6697	467.13664900178
Cond-013960	CPD001906782	CPD001906782	100-uM	NIHCC	NIHCC	TRUE	TRUE	TRUE	26.8518513759077	CN(C)S(=O)(=O)c1ccc2Sc3ccccc3/C(=C/CCN3CCNCC3)/c2c1	InChI=1S/C22H27N3O2S2/c1-24(2)29(26,27)17-9-10-22-20(16-17)18(19-6-3-4-8-21(19)28-22)7-5-13-25-14-11-23-12-15-25/h3-4,6-10,16,23H,5,11-15H2,1-2H3/b18-7-	C22H27N3O2S2	429.599	5	1	86.33	4	5	0	-0.5063	3.45968	3.11	2.977	72.0976	113.5197	3.2168	386.975856901891
Cond-013961	CPD001906784	CPD001906784	100-uM	NIHCC	NIHCC	TRUE	TRUE	FALSE	109.608552342142	CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.OC(=O)/C=C\C(=O)O	InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16+,17-;/m0./s1	C24H32N2O9	492.519	7	2	95.94	2	11	1	-2.2434	1.83849	2.89	4.141	68.4225	103.3955	2.9445	368.989135530874
Cond-013962	Benomyl	benomyl		POSCON-CLINICAL-2013	POSCON-CLINICAL-2013	TRUE	TRUE	TRUE	88.166605827495	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)	C14H18N4O3	290.318	7	2	85.25	2	8	0	-1.1225	3.17567	2.23	3.052	40.8662	83.6034	2.1813	258.726294790884
Cond-013963	Bortezomib	bortezomib		POSCON-CLINICAL-2013	POSCON-CLINICAL-2013	TRUE	TRUE	TRUE	82.3162364713471	O=C(N[C@@H](CC(C)C)B(O)O)[C@@H](NC(=O)c1nccnc1)Cc1ccccc1	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	C19H25BN4O4	384.237	8	4	124.44	2	11	1	-1.7557	0.924590000000003	2.56	3.238	48.6507	104.97	2.9976	384.60175656958
Cond-013964	MMS	MMS		POSCON-CLINICAL-2013	POSCON-CLINICAL-2013	TRUE	TRUE	TRUE	88.1354248159759	S(=O)(=O)(OC)C	InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3	C2H6O3S	110.132	3	0	51.75	0	1	0	-0.1882	-0.0938	1.24	-0.869	21.3852	14.9925	0.73	88.0281321118167
Cond-013965	Micafungin	micafungin		POSCON-CLINICAL-2013	POSCON-CLINICAL-2013	TRUE	TRUE	TRUE	86.4273810823897	S(=O)(=O)(Oc1cc([C@H](O)[C@@H](O)[C@@H]2NC(=O)[C@H]3N(C[C@H](O)C3)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3ccc(cc3)c3noc(c3)c3ccc(OCCCCC)cc3)C[C@@H](O)[C@@H](O)NC(=O)[C@H]3N(C[C@@H]([C@@H]3O)C)C(=O)[C@@H](NC2=O)[C@H](O)CC(=O)N)[C@H](O)C)ccc1O)O	InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1	C56H71N9O23S	1270.27	32	17	518.52	7	19	3	-12.336	-3.17101999999998	3.99	0.643999999999993	198.5973	309.978899999999	8.83360000000003	1116.59875157254
Cond-013966	Tunicamycin	tunicamycin		POSCON-CLINICAL-2013	POSCON-CLINICAL-2013	TRUE	TRUE	TRUE	45.1179295990619	O1[C@@H]([C@H](O)[C@H](O)[C@@H](NC(=O)/C=C/CCCCCCCCCCC(C)C)[C@@H]1O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)C[C@@H](O)[C@H]1O[C@@H](n2c(=O)[nH]c(=O)cc2)[C@H](O)[C@@H]1O	InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1	C39H64N4O16	844.943	20	11	306.37	4	23	3	-7.813	-1.65913	3.55	3.01	186.3087	207.7225	6.24970000000002	802.485940143242
NA	NSC107067	107067	NA	NCI-NP	NCI-NP	FALSE	FALSE	FALSE	NA	O1[C@@]2(C3(OC(C(=O)[C@H]12)[C@@H]([C@H](O3)[C@@H](/C=C(/C=C/C(=C\1/C(=O)CNC1=O)/O)\C)C)C)C)C	InChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18?,19+,21+,22?/m1/s1	C22H27NO7	417.452	8	2	114.46	4	4	0	-0.607300000000003	1.52496	3	2.539	106.5249	107.7655	3.0267	396.351880573963
NA	NSC158383	158383	NA	NCI-STRUCT-DIV	NCI-STRUCT-DIV	FALSE	FALSE	FALSE	NA	N1C(NC(=O)c2c1cccc2)c1c(ccc(c1)C)C	InChI=1S/C16H16N2O/c1-10-7-8-11(2)13(9-10)15-17-14-6-4-3-5-12(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)	C16H16N2O	252.311	3	2	41.13	3	1	0	0.361	2.82412	2.89	4.912	24.9232	76.4804	1.9945	238.751372823562
NA	NSC409663	409663	NA	NCI-NP	NCI-NP	FALSE	FALSE	FALSE	NA	N12C(C3(OC(C(=O)N3C(C2=O)Cc2ccccc2)(C(C)C)NC(=O)C2CC3c4cccc5[nH]cc(c45)CC3N(C2)C)O)CCC1	InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)	C35H41N5O5	611.731	10	3	118.21	8	6	0	-2.5157	2.87438000000001	4.21	4.828	104.3208	171.2465	4.53380000000001	554.934598535374
NA	NSC9168	9168	NA	NCI-NP	NCI-NP	FALSE	FALSE	FALSE	NA	O1C(C2C3(OC3)CCC(C2OC)OC(=O)/C=C/C=C/C=C/C=C\C(=O)O)(C1CC=C(C)C)C	InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9-,12-10+	C26H34O7	458.544	7	1	97.89	3	11	1	2.1703	3.78024	3.55	3.479	125.1543	125.4988	3.5561	464.259058869264
NA	GSK259178A	GSK259178A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	OC(=O)C(F)(F)F.Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1	InChI=1S/C32H28F2N6O3S.C2HF3O2/c33-22-1-5-27(34)21(13-22)18-40-8-7-20-14-24(3-6-29(20)40)38-31-30-28(36-19-37-31)16-26(44-30)4-2-23-15-25(17-35-23)43-32(41)39-9-11-42-12-10-39;3-2(4,5)1(6)7/h1,3,5-8,13-14,16,19,23,25,35H,9-12,15,17-18H2,(H,36,37,38);(H,6,7)/t23-,25-;/m1./s1	C34H29F5N6O5S	728.688	9	2	121.78	7	7	0	0.755500000000001	6.22206000000001	3.66	4.774	75.9924	167.8214	4.229	507.117717120632
NA	GSK326090A	GSK326090A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	C[C@@H](Oc1cc(sc1C(=O)N)n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F	InChI=1S/C28H29F3N4O3S/c1-17(20-5-3-4-6-21(20)28(29,30)31)38-24-14-25(39-26(24)27(32)36)35-16-33-22-8-7-19(13-23(22)35)37-15-18-9-11-34(2)12-10-18/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H2,32,36)/t17-/m1/s1	C28H29F3N4O3S	558.615	7	2	110.33	5	9	1	0.0280000000000005	6.18607000000001	3.33	6.07	68.4597	147.6574	3.8727	468.166569255939
NA	GSK586581A	GSK586581A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CS(=O)(=O)Nc1ccc(cc1)c1cc(cc(C(=O)N)c1N)c1ccccc1	InChI=1S/C20H19N3O3S/c1-27(25,26)23-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)21)20(22)24/h2-12,23H,21H2,1H3,(H2,22,24)	C20H19N3O3S	381.448	6	5	123.66	3	5	1	-2.2189	4.21919	2.89	5.063	28.5019	113.5445	2.8098	336.212172891518
NA	GW280670X	GW280670X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3ccc(Cl)cc23)cc1	InChI=1S/C14H11ClN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)	C14H11ClN4O3S	350.78	7	4	122.03	3	3	0	-1.353	2.43937	2.01	2.582	34.1018	86.9448	2.2726	274.817010516517
NA	GW282536X	GW282536X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cc1cccc2c1NC(=O)/C/2=N\Nc1ccc(cc1)S(=O)(=O)N	InChI=1S/C15H14N4O3S/c1-9-3-2-4-12-13(9)17-15(20)14(12)19-18-10-5-7-11(8-6-10)23(16,21)22/h2-8,18H,1H3,(H2,16,21,22)(H,17,19,20)	C15H14N4O3S	330.362	7	4	122.03	3	3	0	-1.4553	1.81399	2.23	2.809	33.9883	85.5748	2.2911	276.901927371951
NA	GW282974X	GW282974X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1	InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	C23H21N7	395.46	7	1	71.76	5	5	0	-0.1778	5.91517	3.22	4.507	25.2016	122.8307	2.9889	335.421628639302
NA	GW297361X	GW297361X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	NS(=O)(=O)c1ccc(N/C=C/2\C(=O)Nc3ccc4ncsc4c23)cc1	InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-	C16H12N4O3S2	372.421	7	4	150.8	4	3	0	-1.6499	3.00975	2.23	1.307	38.0168	91.4708	2.4439	286.814018653818
NA	GW301888X	GW301888X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1	InChI=1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)	C23H21N7	395.46	7	2	82.62	5	5	1	-0.5606	5.90756	3.22	5.475	25.7568	124.3687	2.9889	335.421628639302
NA	GW352430A	GW352430A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.NS(=O)(=O)c1ccc(N/N=C/2\C(=O)Nc3cccc(CCc4ccncc4)c23)cc1	InChI=1S/C21H19N5O3S.ClH/c22-30(28,29)17-8-6-16(7-9-17)25-26-20-19-15(2-1-3-18(19)24-21(20)27)5-4-14-10-12-23-13-11-14;/h1-3,6-13,25H,4-5H2,(H2,22,28,29)(H,24,26,27);1H	C21H20ClN5O3S	457.933	8	4	134.92	4	6	0	-1.9725	2.96617	2.78	4.403	38.217	113.5798	2.9987	360.508760532119
NA	GW396574X	GW396574X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CC(=Cc1cccc2NC(=O)/C(=N\Nc3ccc(cc3)S(=O)(=O)N)/c12)C	InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)	C18H18N4O3S	370.426	7	4	122.03	3	4	0	-0.541099999999999	3.02646	2.56	4.175	48.5889	100.1978	2.6708	326.153422548752
NA	GW440139A	GW440139A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)c1ccccn1	InChI=1S/C21H17N3O.ClH/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18;/h2-13,25H,1H3,(H,23,24);1H	C21H18ClN3O	363.84	4	2	58.04	4	3	0	-0.2387	6.253	3.33	4.611	11.3667	104.8567	2.5182	291.525762657063
NA	GW441806A	GW441806A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Cc1cc(O)cc(C)c1/C=C/c1cncc(c1)c1nn[nH]n1	InChI=1S/C16H15N5O.ClH/c1-10-5-14(22)6-11(2)15(10)4-3-12-7-13(9-17-8-12)16-18-20-21-19-16;/h3-9,22H,1-2H3,(H,18,19,20,21);1H/b4-3+;	C16H16ClN5O	329.784	6	2	87.58	3	3	0	0.8711	1.83922	2.56	4.143	27.1874	83.605	2.2079	255.568736046462
NA	GW442130X	GW442130X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	COc1ccccc1c1cc(/C=C/2\C(=O)Nc3ncc(Br)cc23)cc(Br)c1O	InChI=1S/C21H14Br2N2O3/c1-28-18-5-3-2-4-13(18)14-6-11(8-17(23)19(14)26)7-16-15-9-12(22)10-24-20(15)25-21(16)27/h2-10,26H,1H3,(H,24,25,27)/b16-7-	C21H14Br2N2O3	502.155	5	2	71.45	4	3	0	0.9029	6.07127	3	4.998	43.6186	118.7485	2.8858	347.576693805152
NA	GW461104A	GW461104A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CS(=O)(=O)CCNCc1nc(cs1)c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1	InChI=1S/C21H19ClFN5O2S2.ClH/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14;/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27);1H	C21H20Cl2FN5O2S2	528.45	7	2	133.49	4	8	0	0.685699999999999	6.13607	2.56	3.912	49.3565	126.0714	3.2866	383.242643210697
NA	GW566221A	GW566221A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CS(=O)(=O)CCNCc1coc(c1)c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	InChI=1S/C29H28N4O4S.ClH/c1-38(34,35)14-13-30-17-22-15-28(37-19-22)23-7-12-27-26(16-23)29(32-20-31-27)33-24-8-10-25(11-9-24)36-18-21-5-3-2-4-6-21;/h2-12,15-16,19-20,30H,13-14,17-18H2,1H3,(H,31,32,33);1H	C29H29ClN4O4S	565.083	8	2	114.73	5	11	2	-1.4255	6.72817	3.66	6.231	43.0253	152.0194	3.8902	457.240727929047
NA	GW568377A	GW568377A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CS(=O)(=O)CCNCc1ccoc1c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	InChI=1S/C29H28N4O4S.ClH/c1-38(34,35)16-14-30-18-23-13-15-36-28(23)22-7-12-27-26(17-22)29(32-20-31-27)33-24-8-10-25(11-9-24)37-19-21-5-3-2-4-6-21;/h2-13,15,17,20,30H,14,16,18-19H2,1H3,(H,31,32,33);1H	C29H29ClN4O4S	565.083	8	2	114.73	5	11	2	-1.4255	6.72817	3.66	6.231	43.0253	152.0194	3.8902	457.240727929047
NA	GW569293E	GW569293E	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	OC(=O)/C=C/C(=O)O.OCCCNc1nccc(n1)c1c(nn2cc(ccc12)C(F)(F)F)c1ccc(F)cc1	InChI=1S/C21H17F4N5O.C4H4O4/c22-15-5-2-13(3-6-15)19-18(16-8-10-27-20(28-16)26-9-1-11-31)17-7-4-14(21(23,24)25)12-30(17)29-19;5-3(6)1-2-4(7)8/h2-8,10,12,31H,1,9,11H2,(H,26,27,28);1-2H,(H,5,6)(H,7,8)/b;2-1+	C25H21F4N5O5	547.458	6	2	75.34	4	7	0	0.4455	4.63767	2.67	4.974	28.4057	112.0135	2.8316	340.425977175422
NA	GW572738X	GW572738X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Fc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N	InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)	C16H13FN2OS	300.351	3	1	81.13	3	3	0	0.2122	3.41378	2.67	3.807	37.4465	78.0992	2.1327	260.691497030668
NA	GW607049C	GW607049C	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	OS(=O)(=O)O.COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1	InChI=1S/C23H17F4N5O3S.H2O4S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24;1-5(2,3)4/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34);(H2,1,2,3,4)	C23H19F4N5O7S2	617.55	8	4	133.44	4	10	1	1.1386	6.50775000000001	2.56	6.544	42.8327	126.4171	3.30830000000001	405.834506484277
NA	GW618013A	GW618013A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CS(=O)(=O)O.CN(C)CCCNc1nccc(n1)c1c(nn2cc(ccc12)C(F)(F)F)c1ccc(F)cc1	InChI=1S/C23H22F4N6.CH4O3S/c1-32(2)13-3-11-28-22-29-12-10-18(30-22)20-19-9-6-16(23(25,26)27)14-33(19)31-21(20)15-4-7-17(24)8-5-15;1-5(2,3)4/h4-10,12,14H,3,11,13H2,1-2H3,(H,28,29,30);1H3,(H,2,3,4)	C24H26F4N6O3S	554.56	6	1	58.35	4	8	1	1.1236	5.20697000000001	2.89	5.107	40.1325	123.4817	3.1545	377.224479934761
NA	GW620972X	GW620972X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12	InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	C20H16N2OS	332.419	3	1	81.13	4	3	1	-0.2675	4.42788	3.22	6.146	36.574	95.6472	2.484	295.278500581429
NA	GW621970X	GW621970X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2cccc(F)c2)c1	InChI=1S/C18H17FN2O4S/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,21)	C18H17FN2O4S	376.402	6	1	89.81	3	6	0	-0.219099999999999	5.68967	2.56	3.642	31.7395	94.7847	2.5906	310.754146384086
NA	GW627834A	GW627834A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.N#Cc1cccc(Nc2ncc(o2)c2ccccc2)c1	InChI=1S/C16H11N3O.ClH/c17-10-12-5-4-8-14(9-12)19-16-18-11-15(20-16)13-6-2-1-3-7-13;/h1-9,11H,(H,18,19);1H	C16H12ClN3O	297.739	4	1	61.85	3	3	0	-0.5398	4.67158	2.78	4.604	11.1177	79.0237	1.9653	230.938756929328
NA	GW641155A	GW641155A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.N(c1ncc(o1)c1ccccc1)c1ccc(Oc2ccccc2)cc1	InChI=1S/C21H16N2O2.ClH/c1-3-7-16(8-4-1)20-15-22-21(25-20)23-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18;/h1-15H,(H,22,23);1H	C21H17ClN2O2	364.825	4	1	47.29	4	5	1	-0.7286	7.43197	3.33	7.355	6.5382	102.4087	2.4771	289.319229149457
NA	GW654652C	GW654652C	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(n2)N(C)c2ccc3c(C)n[nH]c3c2)c1	InChI=1S/C22H24N6O3S.ClH/c1-5-32(29,30)16-7-9-20(31-4)19(13-16)24-22-23-11-10-21(25-22)28(3)15-6-8-17-14(2)26-27-18(17)12-15;/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25);1H	C22H25ClN6O3S	488.99	9	2	121.48	4	7	0	-0.4101	6.21967000000001	2.78	3.886	46.8751	125.0367	3.2824	380.537964066952
NA	GW678313X	GW678313X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)c2cccc(c2)c2ccccc2F)c1	InChI=1S/C24H21FN2O4S/c1-3-32(28,29)18-11-12-22(30-2)21(14-18)27-24-26-15-23(31-24)17-8-6-7-16(13-17)19-9-4-5-10-20(19)25/h4-15H,3H2,1-2H3,(H,26,27)	C24H21FN2O4S	452.498	6	1	89.81	4	7	1	-0.219099999999999	7.40507	3.22	6.239	31.7395	121.1047	3.1984	383.364219336086
NA	GW683003X	GW683003X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	FC(F)(F)CNc1nccc(n1)c1cnn2ncccc12	InChI=1S/C12H9F3N6/c13-12(14,15)7-17-11-16-5-3-9(20-11)8-6-19-21-10(8)2-1-4-18-21/h1-6H,7H2,(H,16,17,20)	C12H9F3N6	294.235	6	1	68	3	4	0	0.7025	3.21418	1.79	2.433	17.3448	70.7257	1.8245	212.06692500312
NA	GW683109X	GW683109X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	C(CNc1nccc(n1)c1cnn2ncccc12)CN1CCOCC1	InChI=1S/C17H21N7O/c1-3-16-14(13-21-24(16)20-6-1)15-4-7-19-17(22-15)18-5-2-8-23-9-11-25-12-10-23/h1,3-4,6-7,13H,2,5,8-12H2,(H,18,19,22)	C17H21N7O	339.395	8	1	80.47	4	6	0	-0.766500000000001	2.17928	2.45	0.819	41.8999	97.3447	2.5258	287.774699789463
NA	GW693881A	GW693881A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)c3ccc[nH]3)cc2Cl)c1	InChI=1S/C23H16ClFN4OS.ClH/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18;/h1-11,13,26H,12H2,(H,27,28,29);1H	C23H17Cl2FN4OS	487.377	5	2	91.07	5	6	1	0.8313	7.19566	3.11	5.662	27.2129	128.7087	3.0518	351.009225393703
NA	GW693917A	GW693917A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1	InChI=1S/C23H16F4N4O4S.ClH/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24;/h2-11H,1H3,(H2,28,29,32)(H,30,31,33);1H	C23H17ClF4N4O4S	556.917	8	3	129.82	4	10	1	1.4049	8.43185	2.56	6.236	41.1518	131.8711	3.2672	403.627972976672
NA	GW700494A	GW700494A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CN1CCN(CCCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1	InChI=1S/C29H31F4N7O2.ClH/c1-39-13-15-40(16-14-39)12-2-11-34-27-36-24-10-8-22(18-26(24)37-27)42-21-6-4-20(5-7-21)35-28(41)38-25-17-19(29(31,32)33)3-9-23(25)30;/h3-10,17-18H,2,11-16H2,1H3,(H2,34,36,37)(H2,35,38,41);1H	C29H32ClF4N7O2	622.057	9	4	97.55	5	12	2	-0.134499999999999	7.49284000000001	3.22	5.581	68.1463	160.8341	4.0655	494.584683897651
NA	GW708893X	GW708893X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cc1nnc(o1)c1ccc(C)c(c1)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1	InChI=1S/C24H20ClN3O2/c1-15-3-6-20(24-28-27-16(2)30-24)13-22(15)18-7-9-19(10-8-18)23(29)26-14-17-4-11-21(25)12-5-17/h3-13H,14H2,1-2H3,(H,26,29)	C24H20ClN3O2	417.887	5	1	68.02	4	6	1	0.6603	5.22863	3.44	7.953	30.7892	120.4127	3.079	364.778552304858
NA	GW709042A	GW709042A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccccc4)nc3c2)cc1)C(F)(F)F	InChI=1S/C28H19F4N5O3.ClH/c29-21-12-6-17(28(30,31)32)14-23(21)36-27(39)33-18-7-9-19(10-8-18)40-20-11-13-22-24(15-20)35-26(34-22)37-25(38)16-4-2-1-3-5-16;/h1-15H,(H2,33,36,39)(H2,34,35,37,38);1H	C28H20ClF4N5O3	585.937	8	4	108.14	5	10	1	-0.2592	8.69574	3.22	8.788	29.6103	148.1856	3.61170000000001	442.639570752811
NA	GW768505A	GW768505A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.COc1ccc(cc1)c1oc2ncnc(N)c2c1c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1	InChI=1S/C27H19F4N5O3.ClH/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28;/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37);1H	C27H20ClF4N5O3	573.926	8	4	115.3	5	8	1	-0.0057000000000002	7.83465000000001	3.11	6.238	30.4067	145.2178	3.51380000000001	427.980044827745
NA	GW770249X	GW770249X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	n1cnc2c(c1N)c(co2)c1ccc(cc1)NC(=O)Nc1cc(ccc1F)C(F)(F)F	InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)	C20H13F4N5O2	431.343	7	4	106.07	4	6	0	0.0461000000000001	6.11065	2.45	4.333	23.0909	112.3458	2.7064	329.283760549316
NA	GW772405X	GW772405X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	InChI=1S/C27H20ClFN4O2/c1-30-27(34)20-6-2-4-18(12-20)8-9-21-15-31-17-32-26(21)33-23-10-11-25(24(28)14-23)35-16-19-5-3-7-22(29)13-19/h2-7,10-15,17H,16H2,1H3,(H,30,34)(H,31,32,33)	C27H20ClFN4O2	486.925	6	2	76.14	4	7	1	0.719	5.65967	3.55	6.831	37.821	135.1744	3.49020000000001	425.821449138531
NA	GW784684X	GW784684X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CN1CCN(Cc2ccc(o2)c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)CC1	InChI=1S/C29H27ClFN5O2S/c1-35-9-11-36(12-10-35)16-22-6-8-26(38-22)27-15-24-28(39-27)29(33-18-32-24)34-21-5-7-25(23(30)14-21)37-17-19-3-2-4-20(31)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,32,33,34)	C29H27ClFN5O2S	564.073	7	1	94.9	6	8	1	1.2843	7.33116000000001	3.55	5.428	60.5857	160.6387	3.9471	462.215661356831
NA	GW795486X	GW795486X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12	InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)	C21H13F6N5O2	481.351	7	4	106.07	4	7	1	0.6645	6.64925	2.34	5.488	28.653	116.6118	2.8827	358.714862875796
NA	GW795493X	GW795493X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12	InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)	C20H14F3N5O2	413.353	7	4	106.07	4	6	0	-0.4336	5.97155	2.56	4.374	22.2184	112.3878	2.6887	323.21620169901
NA	GW805758X	GW805758X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CC(C)c1ccc(Nc2nccc(n2)c2cnn3ncccc23)cc1	InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24)	C19H18N6	330.386	6	1	68	4	4	0	0.1657	5.51217	2.89	4.951	20.4658	101.0357	2.5201	283.770306030068
NA	GW806776X	GW806776X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	O=C(NCC1CC1)c1ccc(cc1)c1cccc(c1)C(=O)NC1CC1	InChI=1S/C21H22N2O2/c24-20(22-13-14-4-5-14)16-8-6-15(7-9-16)17-2-1-3-18(12-17)21(25)23-19-10-11-19/h1-3,6-9,12,14,19H,4-5,10-11,13H2,(H,22,24)(H,23,25)	C21H22N2O2	334.412	4	2	58.2	4	8	1	-1.6793	3.40239	3.33	5.361	40.5227	101.3289	2.6061	319.028605251857
NA	GW807982X	GW807982X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CCOc1ccc2c(cnn2n1)c1ccnc(Nc2cc(OC)cc(c2)C(F)(F)F)n1	InChI=1S/C20H17F3N6O2/c1-3-31-18-5-4-17-15(11-25-29(17)28-18)16-6-7-24-19(27-16)26-13-8-12(20(21,22)23)9-14(10-13)30-2/h4-11H,3H2,1-2H3,(H,24,26,27)	C20H17F3N6O2	430.383	8	1	86.46	4	7	0	0.837700000000001	5.47377	2.45	4.489	31.558	108.8917	2.8315	336.849420607977
NA	GW814408X	GW814408X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	COc1cccc(c1)c1c[nH]c2c(N/N=C/c3ccncc3)ncnc12	InChI=1S/C19H16N6O/c1-26-15-4-2-3-14(9-15)16-11-21-18-17(16)22-12-23-19(18)25-24-10-13-5-7-20-8-6-13/h2-12,21H,1H3,(H,22,23,25)/b24-10+	C19H16N6O	344.37	7	2	88.08	4	5	0	-0.9268	3.34388	2.78	4.172	21.4668	104.5027	2.5358	289.924074029829
NA	GW827102X	GW827102X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	FC(F)(F)c1cccc(c1)c1nn2ncccc2c1c1ccnc(Nc2ccc3OCCOc3c2)n1	InChI=1S/C25H17F3N6O2/c26-25(27,28)16-4-1-3-15(13-16)23-22(19-5-2-9-30-34(19)33-23)18-8-10-29-24(32-18)31-17-6-7-20-21(14-17)36-12-11-35-20/h1-10,13-14H,11-12H2,(H,29,31,32)	C25H17F3N6O2	490.437	8	1	86.46	6	5	1	0.4059	7.05386	3	5.916	25.2952	130.5417	3.18980000000001	379.80705023331
NA	GW828529X	GW828529X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Fc1ccc(Nc2nccc(n2)c2c(nn3ncccc23)c2ccc(cc2)C(F)(F)F)cc1F	InChI=1S/C23H13F5N6/c24-16-8-7-15(12-17(16)25)31-22-29-11-9-18(32-22)20-19-2-1-10-30-34(19)33-21(20)13-3-5-14(6-4-13)23(26,27)28/h1-12H,(H,29,31,32)	C23H13F5N6	468.382	6	1	68	5	5	1	1.6503	6.31597	2.78	6.721	14.3776	118.5007	2.9346	352.126203981867
NA	GW829115X	GW829115X	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	COc1ccc(cc1)c1nn2ncccc2c1c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1	InChI=1S/C24H16ClF3N6O/c1-35-16-7-4-14(5-8-16)22-21(20-3-2-11-30-34(20)33-22)19-10-12-29-23(32-19)31-15-6-9-18(25)17(13-15)24(26,27)28/h2-13H,1H3,(H,29,31,32)	C24H16ClF3N6O	496.872	7	1	77.23	5	6	1	1.3834	7.03868	2.89	6.455	25.564	128.0117	3.22120000000001	381.288365378116
NA	SB-220025-A	SB-220025-A	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Nc1nccc(n1)c1c(ncn1C1CCNCC1)c1ccc(F)cc1	InChI=1S/C18H19FN6.ClH/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14;/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24);1H	C18H20ClFN6	374.843	6	3	81.65	4	3	0	-1.2806	3.22117	2.67	2.467	29.9381	100.1851	2.4829	288.714797656108
NA	SB-236687	SB-236687	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CN1CCC(CC1)n1cnc(c1c1ccnc(Nc2ccccc2)n1)c1ccc(F)cc1	InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)	C25H25FN6	428.505	6	1	58.87	5	5	1	-0.415200000000001	6.32486000000001	3.44	5.639	34.3107	130.3677	3.2316	378.620855233975
NA	SB-242718	SB-242718	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	NC(=O)c1ccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)cc1	InChI=1S/C25H23FN6O2/c26-18-5-1-16(2-6-18)22-23(32(15-30-22)19-9-12-28-13-10-19)21-11-14-29-25(31-21)34-20-7-3-17(4-8-20)24(27)33/h1-8,11,14-15,19,28H,9-10,12-13H2,(H2,27,33)	C25H23FN6O2	458.488	8	3	107.95	5	6	0	-1.3196	4.93307	3.22	3.894	34.7766	132.7131	3.306	393.564849934298
NA	SB-251505	SB-251505	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Fc1ccc(cc1)c1ncn(C2CCNCC2)c1c1ccnc(Oc2cccc(F)c2)n1	InChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2	C24H21F2N5O	433.453	6	1	64.86	5	5	1	-0.205100000000001	6.07116	3.22	5.344	28.2076	124.3077	3.0673	365.185895950809
NA	SB-284847-BT	SB-284847-BT	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	OC(=O)C(F)(F)F.Cc1cccc(Oc2nccc(n2)c2c(ncn2C2CCNCC2)c2ccc(F)cc2)c1C	InChI=1S/C26H26FN5O.C2HF3O2/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21;3-2(4,5)1(6)7/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3;(H,6,7)	C28H27F4N5O3	557.539	6	1	64.86	5	5	1	0.5992	6.04281000000001	3.55	6.031	38.3393	131.8957	3.3314	393.710306352237
NA	SB-390527	SB-390527	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1	InChI=1S/C16H11ClN2O3/c17-12-7-2-1-6-11(12)13-14(16(22)19-15(13)21)18-9-4-3-5-10(20)8-9/h1-8,20H,(H2,18,19,21,22)	C16H11ClN2O3	314.723	5	3	78.43	3	3	0	-1.0693	3.17647	2.56	3.694	32.2894	85.6752	2.1483	266.269976593517
NA	SB-590885-AAD	SB-590885-AAD	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	O.Cl.CN(C)CCOc1ccc(cc1)c1nc(c([nH]1)c1ccc2c(CC/C/2=N\O)c1)c1ccncc1	InChI=1S/C27H27N5O2.ClH.H2O/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;;/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);1H;1H2/b31-24+;;	C27H30ClN5O3	508.012	7	2	86.63	5	7	0	-0.4582	5.71487000000001	3.66	4.398	46.9304	140.9697	3.4703	411.092500127558
NA	SB-732881	SB-732881	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c3ccc(O)cc3)c(Br)cc12	InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)	C19H20BrN5O2	430.298	7	3	94.14	4	4	0	-1.2087	4.58416000000001	2.67	2.767	49.3691	114.4245	2.7987	325.810535602191
NA	SB-732941	SB-732941	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	O=C(Nc1n[nH]c2cc(ccc12)c1ccccc1)C1CC1	InChI=1S/C17H15N3O/c21-17(12-6-7-12)18-16-14-9-8-13(10-15(14)19-20-16)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H2,18,19,20,21)	C17H15N3O	277.32	4	2	57.78	4	4	1	-0.6887	4.38407	2.89	5.431	23.2667	88.7267	2.0836	241.151200255995
NA	SB-737198	SB-737198	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CCOc1nccc2n(CC)c(nc12)c1nonc1N	InChI=1S/C12H14N6O2/c1-3-18-7-5-6-14-12(19-4-2)8(7)15-11(18)9-10(13)17-20-16-9/h5-6H,3-4H2,1-2H3,(H2,13,17)	C12H14N6O2	274.279	8	2	104.88	3	4	0	-0.339499999999999	3.15126	1.9	0.883	30.3393	77.1234	1.9318	214.081160554123
NA	SB-741905	SB-741905	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	NS(=O)(=O)c1cccc(c1)c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	InChI=1S/C17H16N4O3S/c18-25(23,24)13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,23,24)(H2,19,20,21,22)	C17H16N4O3S	356.399	7	4	126.32	4	5	0	-1.6252	2.98347	2.45	2.46	34.4083	94.6871	2.4643	288.237437922885
NA	SB-743899	SB-743899	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	O=C(Nc1n[nH]c2nc(ccc12)c1ccco1)C1CC1	InChI=1S/C14H12N4O2/c19-14(8-3-4-8)16-13-9-5-6-10(11-2-1-7-20-11)15-12(9)17-18-13/h1-2,5-8H,3-4H2,(H2,15,16,17,18,19)	C14H12N4O2	268.271	6	2	83.81	4	4	0	-0.8428	3.77726	2.34	2.05	24.8858	79.8287	1.8624	211.686691987923
NA	SB-751148	SB-751148	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	CCc1nccc2n(CC)c(nc12)c1nonc1N	InChI=1S/C12H14N6O/c1-3-7-9-8(5-6-14-7)18(4-2)12(15-9)10-11(13)17-19-16-10/h5-6H,3-4H2,1-2H3,(H2,13,17)	C12H14N6O	258.279	7	2	95.65	3	3	0	-0.774799999999999	3.72015	2.01	1.259	27.54	76.3734	1.8731	205.290933853562
NA	SB-759335-B	SB-759335-B	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)c1nonc1N	InChI=1S/C15H18N8O2.ClH/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11;/h7-8,17H,2-6H2,1H3,(H2,16,21);1H	C15H19ClN8O2	378.817	10	3	127.99	4	4	0	-1.5469	0.955970000000002	2.01	-1.023	48.32	95.6671	2.4025	272.969717446457
NA	SKF-86002-A2	SKF-86002-A2	NA	GSK-KI	GSK-KI	FALSE	FALSE	FALSE	NA	Cl.Fc1ccc(cc1)c1nc2SCCn2c1c1ccncc1	InChI=1S/C16H12FN3S.ClH/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14;/h1-8H,9-10H2;1H	C16H13ClFN3S	333.811	3	0	56.01	4	2	0	1.1067	4.42517	2.67	3.903	20.9884	87.561	2.0652	239.641571837474